data_2mvx_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 2mvx _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 ' 1' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.824 0.345 . . . . 75.439999999999998 110.875 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.03 77.35 3.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 73.409999999999997 111.076 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.87 -43.18 63.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 73.319999999999993 110.866 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -168.76 116.51 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 72.230000000000004 110.904 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -111.45 108.48 18.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 75.430000000000007 110.853 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -98.1 109.34 22.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 74.120000000000005 110.85 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -118.08 101.44 8.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 65.319999999999993 110.871 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.8 m -149.46 175.93 11.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 72.530000000000001 110.812 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.57 -9.2 33.69 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.777 -0.725 . . . . 63.350000000000001 112.502 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.34 114.75 0.31 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.887 0.375 . . . . 72.420000000000002 110.965 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -107.0 119.84 40.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 74.430000000000007 110.904 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.0 t -126.13 113.27 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 75.329999999999998 111.175 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -115.12 114.51 25.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 74.319999999999993 110.84 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -130.41 126.01 35.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 72.340000000000003 110.847 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -123.92 134.2 53.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 72.120000000000005 110.922 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -124.87 121.77 35.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.319999999999993 110.872 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -122.91 102.06 7.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 72.310000000000002 110.885 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.4 t -111.77 117.03 54.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 75.109999999999999 111.161 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.421 ' CZ ' ' HG ' ' A' ' 34' ' ' LEU . 4.6 m-85 -113.69 137.74 51.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 74.25 110.899 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 63.25 53.81 2.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 74.349999999999994 110.882 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.15 108.87 20.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 64.409999999999997 111.079 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 53.1 t0 63.57 103.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 75.439999999999998 110.891 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.3 t -131.39 133.75 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 72.219999999999999 111.159 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.2 -40.55 81.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 63.329999999999998 112.491 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.75 125.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.856 0.36 . . . . 63.329999999999998 110.887 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -102.77 111.01 23.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 64.239999999999995 110.874 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -113.42 165.01 12.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 74.239999999999995 110.903 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.94 -133.74 27.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 71.409999999999997 112.503 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.16 117.39 31.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.702 0.286 . . . . 75.530000000000001 111.129 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.7 mm -129.68 131.73 66.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 71.230000000000004 111.117 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mp -125.89 112.46 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.129999999999995 111.133 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.65 -17.83 79.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 73.120000000000005 112.448 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.421 ' HG ' ' CZ ' ' A' ' 19' ' ' PHE . 3.0 tm? -171.73 109.65 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.822 0.344 . . . . 72.439999999999998 110.914 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttp -117.29 125.18 50.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 74.409999999999997 110.844 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.0 t -122.46 112.64 35.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 75.420000000000002 111.143 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.74 30.63 44.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.756 . . . . 53.009999999999998 112.477 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.15 -178.91 21.39 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 75.329999999999998 112.506 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.9 p -157.88 140.01 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.372 . . . . 73.310000000000002 111.154 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.1 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 63.509999999999998 111.17 179.924 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.861 0.362 . . . . 64.540000000000006 110.824 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.86 80.05 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 65.219999999999999 111.089 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.63 -37.15 26.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 60.240000000000002 110.87 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -168.59 116.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 73.140000000000001 110.887 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -112.04 108.36 17.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 71.329999999999998 110.853 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -97.75 109.51 22.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 72.150000000000006 110.873 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -117.25 101.1 8.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 61.240000000000002 110.851 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -148.65 175.6 11.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 64.409999999999997 110.848 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.2 -9.62 33.61 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.693 -0.765 . . . . 74.219999999999999 112.465 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.51 114.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 74.329999999999998 110.862 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -106.75 119.52 39.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 72.319999999999993 110.916 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -125.25 113.31 34.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 71.340000000000003 111.164 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 54.8 m170 -115.58 115.68 26.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 71.219999999999999 110.827 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -131.09 127.61 38.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 65.140000000000001 110.912 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -125.06 134.06 52.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 65.129999999999995 110.921 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -124.29 122.65 38.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 75.530000000000001 110.928 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -125.34 101.68 7.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 74.409999999999997 110.927 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 60.9 t -110.58 118.1 56.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 71.310000000000002 111.126 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -113.52 134.01 54.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 73.310000000000002 110.863 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 62.39 57.44 1.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 74.510000000000005 110.901 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.27 107.62 19.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 74.140000000000001 111.076 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 52.8 t0 62.84 104.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 71.340000000000003 110.898 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t -130.83 134.01 62.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 75.409999999999997 111.09 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.59 -41.75 83.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.738 -0.744 . . . . 75.230000000000004 112.484 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.58 122.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 75.209999999999994 110.87 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -102.15 112.04 24.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 63.149999999999999 110.924 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -112.31 165.57 12.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 73.540000000000006 110.913 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.95 -133.08 28.04 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 51.420000000000002 112.473 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.19 119.11 35.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.745 0.307 . . . . 54.210000000000001 111.093 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 25.9 mm -130.71 129.95 64.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 74.109999999999999 111.129 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mp -124.7 113.22 35.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 75.129999999999995 111.118 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.8 -15.23 78.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.73 -0.748 . . . . 63.130000000000003 112.522 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -171.28 108.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 73.140000000000001 110.877 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.5 ttp -118.04 123.9 46.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 75.450000000000003 110.846 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 63.3 t -122.52 112.96 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 60.32 111.112 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.21 31.75 34.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 54.210000000000001 112.479 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.97 -178.79 21.49 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 74.310000000000002 112.499 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 5.1 p -157.4 138.86 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.953 0.406 . . . . 74.25 111.058 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 19.3 m . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 74.530000000000001 111.129 179.88 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.836 0.35 . . . . 64.540000000000006 110.836 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.23 78.92 3.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 51.229999999999997 111.118 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.52 -35.88 31.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 65.530000000000001 110.841 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -169.42 116.59 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 75.439999999999998 110.894 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -112.19 107.41 16.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.209999999999994 110.869 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -96.48 109.36 21.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 73.239999999999995 110.802 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -118.56 100.44 7.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 71.150000000000006 110.879 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -148.4 175.64 10.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 71.519999999999996 110.895 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.77 -9.96 33.88 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.706 -0.759 . . . . 33.5 112.477 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.49 115.0 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 65.340000000000003 110.925 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -107.29 119.67 40.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 74.349999999999994 110.912 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 21.3 t -124.93 113.46 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.109999999999999 111.167 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -115.87 114.81 25.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 73.540000000000006 110.873 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -129.8 128.22 41.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 75.219999999999999 110.847 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -126.35 133.78 51.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 63.439999999999998 110.96 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -123.71 124.06 41.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 62.340000000000003 110.875 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -127.52 102.39 6.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 110.921 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 58.0 t -111.04 119.63 60.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 73.319999999999993 111.122 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -112.78 132.82 55.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 75.519999999999996 110.854 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 60.87 59.48 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 65.109999999999999 110.907 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.95 107.45 19.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 63.530000000000001 111.082 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 52.0 t0 62.15 102.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 75.109999999999999 110.907 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.5 133.97 64.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 65.540000000000006 111.099 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.99 -42.05 86.09 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.768 -0.73 . . . . 75.430000000000007 112.493 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.54 122.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 53.350000000000001 110.871 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -102.33 112.71 25.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 72.540000000000006 110.904 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -112.58 165.66 12.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 74.329999999999998 110.904 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.86 -133.56 27.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.714 -0.755 . . . . 73.439999999999998 112.493 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.94 118.91 34.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.756 0.312 . . . . 44.210000000000001 111.089 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 25.9 mm -130.45 128.82 64.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 64.310000000000002 111.104 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 mp -123.92 112.12 31.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 74.519999999999996 111.172 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -82.71 -13.24 78.51 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 74.349999999999994 112.518 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -169.76 107.47 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.801 0.334 . . . . 73.329999999999998 110.89 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.5 ttp -118.66 123.26 44.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 72.319999999999993 110.851 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 68.3 t -123.58 111.93 31.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 62.350000000000001 111.161 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.74 31.69 31.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.759 -0.734 . . . . 73.310000000000002 112.48 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.4 -178.84 21.85 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 71.530000000000001 112.489 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 p -156.89 139.01 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.877 0.37 . . . . 60.340000000000003 111.107 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 19.0 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 71.430000000000007 111.128 179.929 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.819 0.343 . . . . 74.319999999999993 110.865 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.02 81.08 3.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 73.109999999999999 111.113 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.24 -37.27 34.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 73.450000000000003 110.892 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -169.43 116.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 45.420000000000002 110.866 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -111.33 107.55 16.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 74.349999999999994 110.866 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -96.26 108.85 21.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 65.219999999999999 110.825 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -118.17 100.45 7.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 75.239999999999995 110.846 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -147.64 175.31 10.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 74.129999999999995 110.866 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.76 -10.42 35.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 62.210000000000001 112.505 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.56 114.69 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 65.420000000000002 110.97 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -107.16 120.03 41.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 74.420000000000002 110.838 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.74 113.44 36.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 73.319999999999993 111.133 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 53.7 m170 -115.98 114.93 25.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 72.409999999999997 110.876 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -130.1 129.52 43.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 75.519999999999996 110.874 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -127.4 134.66 49.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 74.120000000000005 110.917 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 6.6 tptm -123.77 123.21 39.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 72.129999999999995 110.915 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -128.84 102.88 6.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 74.140000000000001 110.913 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 57.3 t -112.21 121.81 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 74.150000000000006 111.149 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -112.06 132.16 55.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 74.409999999999997 110.909 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 59.75 60.86 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 72.510000000000005 110.904 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.54 107.3 19.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 72.340000000000003 111.113 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 51.6 t0 61.73 102.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 73.120000000000005 110.869 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -129.68 134.66 62.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 74.329999999999998 111.167 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.3 -42.78 90.02 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 71.109999999999999 112.512 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.81 121.96 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.916 0.389 . . . . 62.520000000000003 110.834 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -101.72 112.85 25.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 64.239999999999995 110.878 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.66 165.54 12.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 74.409999999999997 110.924 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.33 -132.72 29.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 60.539999999999999 112.447 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.93 118.42 34.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 65.409999999999997 111.048 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 25.2 mm -130.63 128.41 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 73.129999999999995 111.142 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 mp -124.1 112.08 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 72.519999999999996 111.127 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.52 -11.84 76.75 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 64.209999999999994 112.506 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -168.06 106.8 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 75.439999999999998 110.919 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 2.5 ttp -120.02 122.65 41.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 73.450000000000003 110.898 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 67.8 t -124.78 111.65 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 75.150000000000006 111.14 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.92 31.47 32.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 61.439999999999998 112.433 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.63 -178.23 21.74 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 62.140000000000001 112.481 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 4.5 p -157.21 139.57 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 62.229999999999997 111.168 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 71.510000000000005 111.145 179.913 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.84 0.352 . . . . 44.32 110.866 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.48 80.13 3.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 73.140000000000001 111.118 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.16 -39.29 56.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 73.109999999999999 110.863 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -168.67 117.65 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 74.239999999999995 110.867 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -110.85 107.83 17.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 75.430000000000007 110.887 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -94.52 109.12 21.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 74.519999999999996 110.832 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -118.02 99.83 7.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 73.25 110.859 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -149.08 173.58 13.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 73.120000000000005 110.9 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.67 -9.29 38.27 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 75.120000000000005 112.482 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.23 113.37 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.83 0.348 . . . . 64.230000000000004 110.934 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -107.81 120.36 42.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 75.150000000000006 110.886 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.7 114.28 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 73.420000000000002 111.145 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 57.4 m170 -116.18 114.07 23.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 65.109999999999999 110.85 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -129.12 131.33 47.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 74.310000000000002 110.835 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -129.54 136.22 49.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 74.340000000000003 110.899 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 6.8 tptm -123.99 122.76 38.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 74.409999999999997 110.952 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -129.46 102.17 6.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 73.129999999999995 110.921 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 59.0 t -110.42 122.5 65.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 74.129999999999995 111.143 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -111.45 129.85 55.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 65.409999999999997 110.903 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 58.77 60.53 2.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 75.349999999999994 110.832 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.93 107.5 19.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 73.25 111.1 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 52.4 t0 61.52 104.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 71.319999999999993 110.851 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t -130.84 134.2 62.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 73.310000000000002 111.129 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.16 -43.02 90.91 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.733 -0.746 . . . . 72.409999999999997 112.516 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.99 121.74 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.37 . . . . 71.430000000000007 110.832 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -101.54 114.28 28.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 75.549999999999997 110.873 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -113.51 164.32 13.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 73.450000000000003 110.92 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.04 -131.75 28.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 75.129999999999995 112.49 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.86 118.4 34.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.746 0.308 . . . . 63.140000000000001 111.094 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 27.6 mm -130.88 127.04 60.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 75.120000000000005 111.146 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mp -125.07 111.96 29.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 71.319999999999993 111.166 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.31 -10.21 71.48 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.718 -0.753 . . . . 74.209999999999994 112.477 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -164.82 105.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 74.140000000000001 110.883 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttp -122.33 123.11 40.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 74.239999999999995 110.904 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 72.4 t -127.35 111.31 24.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 72.219999999999999 111.161 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.52 30.96 35.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.765 -0.731 . . . . 71.319999999999993 112.47 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.24 -178.41 21.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 61.409999999999997 112.477 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 p -157.0 138.95 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 64.239999999999995 111.145 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 19.4 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 75.329999999999998 111.106 179.96 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.849 0.356 . . . . 54.450000000000003 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.64 72.06 7.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 64.450000000000003 111.043 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.83 -43.12 63.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 72.109999999999999 110.895 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -167.58 115.58 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.340000000000003 110.865 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -116.19 111.49 20.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 72.25 110.85 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 61.4 t60 -97.37 110.23 22.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 75.430000000000007 110.89 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -115.7 103.84 11.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 74.530000000000001 110.885 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -149.23 175.11 11.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 65.230000000000004 110.83 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.28 -10.42 31.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 52.130000000000003 112.446 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.32 114.49 0.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 75.120000000000005 110.926 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -107.28 120.08 41.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.498 . . . . 52.329999999999998 110.871 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 21.2 t -126.7 113.45 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 65.549999999999997 111.112 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -115.43 117.52 30.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 73.430000000000007 110.893 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -131.82 126.62 34.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 75.409999999999997 110.862 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -124.63 133.63 53.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 63.210000000000001 110.923 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -124.82 120.21 31.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 73.349999999999994 110.899 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -122.85 101.67 7.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 71.430000000000007 110.925 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 63.4 t -112.7 117.95 56.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 73.530000000000001 111.095 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . 0.412 ' CZ ' ' HG ' ' F' ' 34' ' ' LEU . 4.8 m-85 -112.34 138.69 48.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 72.409999999999997 110.895 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 63.05 52.57 2.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 72.530000000000001 110.837 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.94 110.89 22.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 74.340000000000003 111.056 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 51.1 t0 63.18 102.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 75.140000000000001 110.896 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 31.0 t -131.34 130.67 63.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 74.140000000000001 111.111 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.39 -40.52 94.54 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 61.219999999999999 112.503 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.56 122.52 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.906 0.384 . . . . 71.319999999999993 110.856 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -99.06 110.05 22.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 75.239999999999995 110.884 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -112.87 163.92 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 72.519999999999996 110.871 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.17 -139.69 19.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.681 -0.771 . . . . 74.209999999999994 112.523 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.28 118.48 30.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.764 0.316 . . . . 72.439999999999998 111.07 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 26.1 mm -130.53 136.06 59.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 75.430000000000007 111.154 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mp -126.59 112.75 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 75.409999999999997 111.082 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.35 -20.54 78.75 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 54.109999999999999 112.47 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.412 ' HG ' ' CZ ' ' F' ' 19' ' ' PHE . 3.0 tm? -172.11 113.01 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 74.310000000000002 110.864 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.8 ttp -119.1 123.82 45.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 65.450000000000003 110.897 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 58.1 t -122.18 114.2 41.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.109999999999999 111.155 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.06 30.23 37.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 60.310000000000002 112.461 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.74 -178.13 21.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 53.409999999999997 112.514 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 5.3 p -157.64 140.41 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.358 . . . . 75.25 111.113 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 71.430000000000007 111.104 179.904 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.789 0.328 . . . . 74.140000000000001 110.881 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.33 72.3 8.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 74.150000000000006 111.1 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.46 -40.41 50.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 65.150000000000006 110.897 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.29 115.1 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 73.439999999999998 110.909 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -116.53 110.85 19.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 75.409999999999997 110.848 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -95.94 109.33 21.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 74.109999999999999 110.835 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -115.31 102.11 9.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 72.340000000000003 110.877 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -147.85 174.63 11.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 60.420000000000002 110.864 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.74 -10.58 32.56 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.741 . . . . 60.43 112.481 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.5 114.4 0.29 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.852 0.358 . . . . 71.239999999999995 110.9 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -106.9 119.86 40.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 73.409999999999997 110.884 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -125.67 113.47 34.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 74.219999999999999 111.115 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 55.0 m170 -115.89 117.79 31.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 71.140000000000001 110.856 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -131.61 127.7 37.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 75.319999999999993 110.895 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -125.94 133.22 51.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 74.409999999999997 110.896 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 6.8 tptm -124.51 122.73 38.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 73.230000000000004 110.886 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -125.95 102.38 7.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 75.319999999999993 110.937 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 57.6 t -112.19 118.92 58.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 74.349999999999994 111.117 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -112.78 134.02 54.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 72.120000000000005 110.87 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 63.04 55.13 2.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 74.530000000000001 110.866 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.59 108.45 19.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 75.230000000000004 111.057 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 52.5 t0 62.54 103.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 62.420000000000002 110.888 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t -130.61 132.38 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 64.340000000000003 111.12 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.32 -41.79 94.39 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.724 . . . . 71.209999999999994 112.512 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.52 121.28 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.371 . . . . 73.519999999999996 110.849 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -99.9 111.15 23.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 75.109999999999999 110.887 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -111.86 164.33 13.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 75.109999999999999 110.91 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.43 -137.58 24.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 40.310000000000002 112.505 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.32 120.39 33.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.79 0.328 . . . . 64.519999999999996 111.096 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 25.4 mm -131.76 134.39 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 75.329999999999998 111.149 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mp -124.28 112.67 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 74.310000000000002 111.158 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.22 -18.92 73.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.698 -0.763 . . . . 71.109999999999999 112.536 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -171.19 112.25 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 73.510000000000005 110.905 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 2.5 ttp -119.89 123.33 43.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 74.510000000000005 110.832 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 64.2 t -122.83 113.54 38.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 73.510000000000005 111.102 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.72 30.75 29.07 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 74.340000000000003 112.476 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.94 -178.28 21.54 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 63.109999999999999 112.487 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 4.3 p -157.1 140.36 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.857 0.361 . . . . 75.140000000000001 111.151 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 18.3 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.209999999999994 111.168 179.944 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.81 0.338 . . . . 72.209999999999994 110.864 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.81 71.62 9.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 73.430000000000007 111.134 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.51 -41.22 53.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 75.239999999999995 110.887 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.59 114.88 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 63.509999999999998 110.887 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -116.53 110.42 18.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 74.340000000000003 110.842 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -94.7 109.5 21.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 74.340000000000003 110.853 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -116.12 101.82 9.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 64.420000000000002 110.852 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -147.2 174.84 11.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 74.120000000000005 110.851 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.06 -10.18 32.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 74.209999999999994 112.489 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.36 113.8 0.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 74.310000000000002 110.959 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -106.98 119.84 40.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 65.530000000000001 110.909 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.03 113.56 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 73.219999999999999 111.139 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -116.15 116.74 28.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 73.310000000000002 110.856 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -130.77 127.85 39.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 71.239999999999995 110.845 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -127.15 133.05 50.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 75.409999999999997 110.912 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -123.91 123.69 40.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 73.340000000000003 110.935 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -127.53 103.21 7.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 75.439999999999998 110.914 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 57.6 t -112.99 121.33 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 71.439999999999998 111.148 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -112.91 132.81 55.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 75.209999999999994 110.882 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 61.61 56.58 2.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 72.450000000000003 110.888 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.02 107.97 19.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 75.510000000000005 111.119 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 52.0 t0 62.1 103.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 61.210000000000001 110.887 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 22.7 t -130.38 133.17 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 72.219999999999999 111.129 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.18 -41.94 96.66 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 75.230000000000004 112.504 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.65 121.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.91 0.385 . . . . 74.510000000000005 110.872 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -99.94 111.13 23.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 75.230000000000004 110.898 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -111.82 164.05 13.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.439999999999998 110.897 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.97 -138.06 26.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 63.109999999999999 112.447 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.85 119.65 32.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 74.129999999999995 111.063 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 25.8 mm -131.53 133.33 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 74.140000000000001 111.098 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mp -123.04 111.94 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 71.549999999999997 111.105 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.75 -16.1 73.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 61.149999999999999 112.483 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -170.74 110.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.832 0.349 . . . . 73.340000000000003 110.897 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 2.5 ttp -119.86 122.93 42.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 72.230000000000004 110.856 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 66.1 t -124.13 112.39 32.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 75.239999999999995 111.134 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.45 30.13 25.51 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.753 -0.737 . . . . 54.530000000000001 112.476 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.54 -178.09 22.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.75 . . . . 71.120000000000005 112.499 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 4.1 p -157.4 139.17 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.367 . . . . 74.140000000000001 111.135 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 72.140000000000001 111.112 179.945 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.85 0.357 . . . . 61.539999999999999 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.13 72.49 7.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 73.129999999999995 111.063 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.2 -42.27 60.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 74.239999999999995 110.917 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.69 115.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 72.409999999999997 110.832 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -116.23 109.52 17.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 64.519999999999996 110.858 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -93.25 109.1 20.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 74.120000000000005 110.821 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -116.1 102.0 9.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 72.319999999999993 110.856 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -146.96 174.51 11.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 73.540000000000006 110.83 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.67 -10.3 33.36 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.69 -0.767 . . . . 72.340000000000003 112.438 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.42 113.52 0.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.834 0.35 . . . . 75.319999999999993 110.913 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -106.8 120.06 41.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 72.439999999999998 110.914 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -124.51 113.32 35.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 72.25 111.136 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 54.5 m170 -116.13 117.26 29.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 73.230000000000004 110.831 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -132.09 128.41 38.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 60.119999999999997 110.89 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -127.91 134.17 49.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 74.549999999999997 110.911 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -124.0 123.64 40.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 74.310000000000002 110.865 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -128.98 103.37 6.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 73.140000000000001 110.884 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 58.1 t -113.21 122.56 67.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 73.219999999999999 111.128 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -111.35 131.98 54.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 65.219999999999999 110.877 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 60.08 58.03 2.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 54.340000000000003 110.897 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.22 107.97 19.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 73.150000000000006 111.098 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 52.3 t0 61.83 103.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 73.230000000000004 110.843 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -130.9 133.79 62.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 74.329999999999998 111.1 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.78 -41.85 95.46 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 64.230000000000004 112.476 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.55 121.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.384 . . . . 71.530000000000001 110.861 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -101.26 111.72 24.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 73.510000000000005 110.923 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.65 164.33 13.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 74.420000000000002 110.902 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.76 -137.72 30.93 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.701 -0.762 . . . . 61.32 112.479 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.37 119.12 32.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.753 0.311 . . . . 74.129999999999995 111.127 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 24.6 mm -131.74 132.97 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 72.209999999999994 111.103 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mp -124.12 112.24 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 73.150000000000006 111.116 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.58 -14.25 71.1 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 71.540000000000006 112.463 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -168.58 108.49 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 74.329999999999998 110.926 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.3 ttp -119.97 121.73 39.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 74.129999999999995 110.891 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 72.5 t -126.07 114.29 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 75.430000000000007 111.124 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.69 30.08 20.04 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 72.430000000000007 112.455 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.06 -178.44 22.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 62.409999999999997 112.48 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 4.1 p -157.45 138.0 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 63.450000000000003 111.148 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 71.219999999999999 111.098 179.919 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.826 0.346 . . . . 72.549999999999997 110.873 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.74 77.05 6.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 73.140000000000001 111.117 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.35 -45.47 55.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 61.32 110.875 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -164.89 115.59 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 74.519999999999996 110.906 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -113.24 109.7 19.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 62.329999999999998 110.874 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -94.09 109.01 20.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 73.25 110.868 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -116.18 102.03 9.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 63.140000000000001 110.849 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -147.33 172.1 14.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 74.430000000000007 110.816 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.77 -9.65 37.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.699 -0.762 . . . . 63.420000000000002 112.486 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -171.7 111.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 74.239999999999995 110.894 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -106.75 120.26 41.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 72.540000000000006 110.911 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 21.2 t -124.57 113.99 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 72.409999999999997 111.14 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -115.99 116.94 28.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 71.129999999999995 110.848 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -131.41 129.04 40.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 74.230000000000004 110.891 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -127.48 135.46 50.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 64.409999999999997 110.91 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -124.38 121.54 35.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 53.009999999999998 110.872 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -129.5 102.62 6.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 75.310000000000002 110.874 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 54.7 t -111.58 123.03 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 74.209999999999994 111.159 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -110.37 128.81 55.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 60.43 110.899 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 59.88 59.11 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 71.140000000000001 110.875 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.17 108.39 20.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 43.509999999999998 111.091 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 53.1 t0 61.84 104.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 73.530000000000001 110.86 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 23.9 t -131.49 133.09 62.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 73.239999999999995 111.136 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.86 -42.05 95.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.777 -0.725 . . . . 71.310000000000002 112.492 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.81 120.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 55.119999999999997 110.88 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -101.82 111.45 23.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 64.25 110.89 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -113.24 163.07 15.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 72.450000000000003 110.899 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.71 -136.17 37.34 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 61.439999999999998 112.496 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.97 118.14 31.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 72.310000000000002 111.086 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 23.9 mm -131.72 130.94 62.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 63.229999999999997 111.118 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mp -124.79 112.35 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 73.450000000000003 111.133 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.91 -10.95 68.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.729 . . . . 74.209999999999994 112.486 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -165.88 106.82 0.72 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.333 . . . . 74.409999999999997 110.921 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 2.3 ttp -121.88 121.94 38.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 73.319999999999993 110.889 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 75.0 t -128.54 114.43 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 75.140000000000001 111.146 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.75 29.71 19.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 43.350000000000001 112.514 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.22 -178.57 21.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.759 . . . . 73.109999999999999 112.488 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 p -157.63 139.3 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.358 . . . . 74.129999999999995 111.113 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 19.3 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 75.540000000000006 111.1 179.915 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.782 0.325 . . . . 73.109999999999999 110.863 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.04 104.67 1.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 75.530000000000001 111.072 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -55.26 -39.06 69.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 74.299999999999997 110.899 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -149.77 114.42 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 74.140000000000001 110.833 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -133.13 108.81 9.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 75.150000000000006 110.861 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -105.31 111.94 24.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 72.409999999999997 110.817 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -113.16 101.46 9.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 74.519999999999996 110.862 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.1 t -150.26 175.6 11.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 61.509999999999998 110.865 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.34 -7.32 40.43 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.772 -0.728 . . . . 74.340000000000003 112.436 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.1 116.28 0.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.838 0.351 . . . . 75.129999999999995 110.914 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -102.46 119.74 39.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 73.430000000000007 110.91 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.2 t -133.09 114.31 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 72.439999999999998 111.147 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 40.5 m170 -123.16 116.9 24.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 74.329999999999998 110.852 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -126.4 125.21 41.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 75.430000000000007 110.849 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -118.13 132.82 56.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 72.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -129.2 115.52 17.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 72.230000000000004 110.872 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -124.79 111.27 15.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 64.439999999999998 110.906 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 t -117.31 113.78 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 74.019999999999996 111.16 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.422 ' CZ ' ' HG ' ' A' ' 34' ' ' LEU . 3.3 m-85 -103.7 131.83 50.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 75.120000000000005 110.917 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 61.47 53.36 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 74.209999999999994 110.862 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.65 114.13 26.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 50.140000000000001 111.153 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 59.1 95.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 74.010000000000005 110.881 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.6 p -135.28 135.02 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 74.510000000000005 111.126 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.71 -55.52 20.07 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 74.510000000000005 112.482 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.7 m -169.33 130.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 74.329999999999998 110.883 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -97.71 102.01 13.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 73.209999999999994 110.86 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 tptp -113.98 166.05 11.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 73.0 110.926 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.29 -135.54 36.33 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.733 -0.746 . . . . 70.340000000000003 112.494 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.75 114.11 25.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 72.409999999999997 111.1 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -127.97 123.78 61.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 75.340000000000003 111.101 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.5 mt -114.65 111.22 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 73.420000000000002 111.16 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.94 -35.37 21.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 64.510000000000005 112.495 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.422 ' HG ' ' CZ ' ' A' ' 19' ' ' PHE . 2.6 tm? -164.63 107.68 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 75.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.0 ttm -122.5 125.5 45.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 64.129999999999995 110.856 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 65.9 t -119.66 119.4 60.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 70.409999999999997 111.159 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.3 27.07 23.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 64.230000000000004 112.495 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.67 175.41 24.36 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.739 . . . . 75.329999999999998 112.558 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.6 p -152.56 143.83 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 75.230000000000004 111.127 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 73.0 111.062 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.859 0.361 . . . . 64.420000000000002 110.931 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.84 105.37 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 72.219999999999999 111.108 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -55.11 -38.34 68.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 75.140000000000001 110.875 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.46 114.25 5.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 75.400000000000006 110.946 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -130.31 108.81 10.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 72.140000000000001 110.879 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -105.58 111.36 24.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 63.009999999999998 110.893 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -113.88 100.96 8.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 74.150000000000006 110.867 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 19.9 t -149.75 175.72 11.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 64.540000000000006 110.845 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.1 -8.14 39.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.79 -0.719 . . . . 71.230000000000004 112.487 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.4 115.28 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.884 0.373 . . . . 70.010000000000005 110.908 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -101.4 119.89 39.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 74.310000000000002 110.88 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.4 t -131.65 114.44 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 73.25 111.182 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -124.03 117.52 24.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 75.439999999999998 110.808 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -126.56 127.38 45.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 75.349999999999994 110.89 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -118.36 132.99 56.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 75.409999999999997 110.911 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -126.46 116.31 20.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 72.409999999999997 110.913 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -125.29 110.65 14.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 74.299999999999997 110.901 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 t -117.58 114.87 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 72.150000000000006 111.115 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -105.96 129.61 54.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 74.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 61.25 54.24 3.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 75.230000000000004 110.893 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.36 114.65 27.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 74.109999999999999 111.117 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 58.37 95.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 75.420000000000002 110.865 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 4.2 p -135.45 132.66 52.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 75.420000000000002 111.103 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.98 -54.05 27.54 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.755 -0.736 . . . . 70.109999999999999 112.444 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -168.95 130.36 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.921 0.391 . . . . 71.299999999999997 110.887 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -99.64 101.1 12.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 71.409999999999997 110.894 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 tptp -114.23 166.93 11.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.209999999999994 110.901 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.16 -135.5 40.06 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 62.409999999999997 112.464 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.95 114.15 25.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.763 0.316 . . . . 73.400000000000006 111.1 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -128.48 123.64 60.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 71.430000000000007 111.137 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 26.3 mt -114.74 109.6 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 73.430000000000007 111.156 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.44 -34.86 27.67 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 70.109999999999999 112.473 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -162.66 107.26 1.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 75.310000000000002 110.914 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 46.2 ttm -121.92 124.13 43.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 75.099999999999994 110.934 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 65.8 t -122.21 117.72 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 72.140000000000001 111.127 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.98 26.84 28.28 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.783 -0.722 . . . . 62.210000000000001 112.49 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.38 176.27 25.29 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.773 -0.727 . . . . 72.129999999999995 112.486 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 5.1 p -152.16 143.53 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 75.430000000000007 111.092 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 75.140000000000001 111.142 179.883 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.854 0.359 . . . . 74.239999999999995 110.873 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.96 105.29 1.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 75.140000000000001 111.112 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -54.91 -37.33 66.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 71.209999999999994 110.862 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.79 114.36 4.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 75.230000000000004 110.888 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -128.59 108.66 10.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 74.340000000000003 110.835 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -106.29 109.37 21.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 75.439999999999998 110.835 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -113.13 101.08 9.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 75.239999999999995 110.861 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 19.4 t -149.34 175.42 11.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 75.340000000000003 110.886 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.81 -8.2 40.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 73.439999999999998 112.48 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.47 115.41 0.31 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.817 0.342 . . . . 75.299999999999997 110.935 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -101.83 120.05 39.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 74.540000000000006 110.872 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 96.7 t -131.47 114.4 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 74.239999999999995 111.137 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 43.7 m170 -124.11 117.41 24.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 72.200000000000003 110.885 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -126.53 127.97 46.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 74.420000000000002 110.868 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -118.91 133.49 55.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 73.439999999999998 110.901 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -124.67 116.77 22.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 74.349999999999994 110.862 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.66 109.79 12.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 74.239999999999995 110.921 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 t -118.29 115.79 49.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 74.319999999999993 111.115 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . 0.406 ' CD1' ' N ' ' C' ' 19' ' ' PHE . 1.9 m-85 -105.79 129.51 53.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 73.239999999999995 110.899 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 60.54 55.17 3.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 65.519999999999996 110.845 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.69 114.11 26.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 73.230000000000004 111.105 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 58.68 96.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 73.549999999999997 110.87 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 4.1 p -136.28 132.16 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 74.430000000000007 111.094 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.82 -54.06 30.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 75.040000000000006 112.509 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -167.68 129.73 1.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.887 0.375 . . . . 70.099999999999994 110.85 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -99.93 100.31 11.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 72.439999999999998 110.896 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -114.53 167.4 10.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 73.219999999999999 110.892 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.83 -135.91 42.02 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 71.209999999999994 112.466 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.13 113.9 25.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.719 0.295 . . . . 71.310000000000002 111.092 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -129.02 123.87 59.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 73.040000000000006 111.133 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 24.2 mt -114.59 109.06 27.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 72.120000000000005 111.099 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.35 -33.02 29.67 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 64.5 112.504 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -161.3 106.87 1.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.859 0.361 . . . . 74.120000000000005 110.9 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 45.8 ttm -122.41 123.39 41.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 74.510000000000005 110.845 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 70.7 t -123.34 116.64 49.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 72.140000000000001 111.135 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.17 27.61 23.87 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 72.219999999999999 112.46 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.38 177.1 25.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.794 -0.717 . . . . 75.349999999999994 112.472 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 p -151.83 143.33 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.859 0.362 . . . . 73.209999999999994 111.106 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 71.230000000000004 111.134 179.942 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.828 0.347 . . . . 75.450000000000003 110.836 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.94 105.26 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 73.439999999999998 111.144 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -54.74 -37.36 65.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 74.439999999999998 110.849 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.03 114.61 4.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 72.510000000000005 110.908 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -127.74 108.56 10.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 72.430000000000007 110.883 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -107.11 109.11 20.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 75.299999999999997 110.847 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -113.49 101.17 9.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 74.349999999999994 110.853 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 20.0 t -148.81 174.75 11.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 73.310000000000002 110.85 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.46 -8.11 41.33 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 73.140000000000001 112.481 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.31 115.04 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 75.420000000000002 110.958 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -101.95 120.48 40.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 74.430000000000007 110.847 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 94.1 t -131.7 114.2 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 75.25 111.177 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 44.6 m170 -124.27 116.96 23.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 63.520000000000003 110.867 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -126.67 128.23 46.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 65.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -118.84 135.13 54.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 63.439999999999998 110.903 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -124.17 116.24 22.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 74.040000000000006 110.899 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -128.16 108.79 10.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 75.530000000000001 110.93 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 12.1 t -118.18 117.37 54.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 70.439999999999998 111.114 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' D' ' 19' ' ' PHE . 1.6 m-85 -105.55 129.65 53.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 70.530000000000001 110.849 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 59.95 55.54 3.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 74.540000000000006 110.877 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.13 114.64 27.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 74.409999999999997 111.105 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 58.24 96.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 73.439999999999998 110.849 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 4.4 p -136.86 130.97 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 74.420000000000002 111.118 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.87 -54.11 30.06 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 44.119999999999997 112.475 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -166.89 129.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.845 0.355 . . . . 55.229999999999997 110.918 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -100.57 99.84 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 72.120000000000005 110.903 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -114.77 167.48 10.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 75.540000000000006 110.904 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.4 -135.94 44.13 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.762 -0.732 . . . . 65.019999999999996 112.48 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.45 113.92 25.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.744 0.307 . . . . 74.040000000000006 111.11 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -129.69 123.7 57.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 63.409999999999997 111.12 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 24.6 mt -114.85 108.79 26.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 73.25 111.154 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.52 -31.35 27.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 51.539999999999999 112.459 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -159.63 106.43 1.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 75.540000000000006 110.907 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 44.6 ttm -124.88 122.56 37.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 63.5 110.934 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 71.7 t -123.51 116.79 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 73.219999999999999 111.11 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.91 27.94 22.77 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.775 -0.726 . . . . 72.310000000000002 112.534 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.13 177.08 26.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 75.25 112.547 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 4.7 p -151.5 143.43 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 75.140000000000001 111.138 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 74.140000000000001 111.115 179.909 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.803 0.335 . . . . 74.439999999999998 110.889 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.15 105.64 1.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 73.409999999999997 111.112 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -53.77 -37.59 63.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 75.420000000000002 110.877 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.38 115.57 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 74.540000000000006 110.916 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -126.12 108.21 11.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 72.510000000000005 110.888 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -106.73 109.05 20.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 73.120000000000005 110.842 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -113.17 101.09 9.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 65.430000000000007 110.852 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 19.7 t -150.1 171.69 16.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 75.430000000000007 110.856 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.45 -7.15 46.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.76 . . . . 75.109999999999999 112.495 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -171.95 113.33 0.32 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.836 0.35 . . . . 74.310000000000002 110.893 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -102.91 121.29 42.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 75.420000000000002 110.875 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 93.0 t -131.25 114.9 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 75.109999999999999 111.143 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -124.07 115.25 20.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 74.530000000000001 110.875 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -125.98 128.7 47.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 71.109999999999999 110.875 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -118.49 137.46 53.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 75.129999999999995 110.937 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -123.74 115.45 21.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 75.329999999999998 110.876 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -129.55 109.03 10.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 72.209999999999994 110.897 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 5.8 t -116.73 119.34 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 64.299999999999997 111.146 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -105.45 127.12 52.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 73.310000000000002 110.876 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 59.16 56.28 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 75.510000000000005 110.915 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.04 115.47 28.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 65.450000000000003 111.096 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 57.41 96.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 72.409999999999997 110.837 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 4.5 p -135.81 129.38 48.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 74.439999999999998 111.128 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.23 -52.59 43.05 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.774 -0.727 . . . . 63.329999999999998 112.499 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -167.16 126.67 1.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.896 0.379 . . . . 71.420000000000002 110.799 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -100.46 99.55 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 75.510000000000005 110.904 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -115.72 167.99 10.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 75.439999999999998 110.875 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.75 -134.71 46.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 63.130000000000003 112.474 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.31 113.72 25.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 64.530000000000001 111.062 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -130.04 123.75 56.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 75.319999999999993 111.104 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 27.0 mt -116.62 108.38 24.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 74.310000000000002 111.139 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.66 -28.03 27.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 71.430000000000007 112.513 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -158.23 105.89 1.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.815 0.341 . . . . 75.540000000000006 110.869 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 42.7 ttm -127.96 123.22 34.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 73.409999999999997 110.87 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 72.4 t -125.85 116.88 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 74.329999999999998 111.106 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.93 27.97 23.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 52.509999999999998 112.521 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.12 176.99 26.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 74.430000000000007 112.441 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 p -151.31 143.45 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 75.040000000000006 111.152 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 74.239999999999995 111.169 179.901 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.768 0.318 . . . . 64.519999999999996 110.853 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.36 105.2 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 63.409999999999997 111.119 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -54.45 -40.35 68.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 71.409999999999997 110.902 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.95 114.72 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 74.430000000000007 110.883 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -132.73 109.15 9.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 75.109999999999999 110.873 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -105.2 111.17 23.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 75.030000000000001 110.877 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -112.09 101.5 9.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 74.420000000000002 110.851 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 19.6 t -150.45 175.51 11.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 72.109999999999999 110.837 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.57 -7.47 39.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 62.409999999999997 112.478 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.12 116.01 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.878 0.37 . . . . 75.219999999999999 110.979 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -102.2 119.76 39.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 74.129999999999995 110.869 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 98.8 t -132.75 114.08 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 74.099999999999994 111.119 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -122.72 117.01 24.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 74.319999999999993 110.831 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -126.42 125.51 42.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 74.340000000000003 110.839 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -118.05 132.87 56.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 75.120000000000005 110.917 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -129.15 115.5 17.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 75.420000000000002 110.905 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -125.22 111.08 14.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 72.0 110.954 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 t -117.59 114.13 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 74.409999999999997 111.14 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . 0.421 ' CZ ' ' HG ' ' F' ' 34' ' ' LEU . 3.4 m-85 -104.09 131.85 50.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 74.519999999999996 110.878 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 61.12 53.76 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 75.319999999999993 110.838 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.54 113.62 25.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 71.200000000000003 111.13 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 59.3 95.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 74.150000000000006 110.859 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 5.1 p -134.65 134.34 54.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 72.420000000000002 111.115 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.21 -55.49 21.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.706 -0.759 . . . . 75.019999999999996 112.483 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.0 m -168.18 128.82 1.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 71.010000000000005 110.874 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -97.32 101.42 12.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 74.019999999999996 110.892 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 tptp -113.32 167.24 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 73.409999999999997 110.884 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.67 -137.58 30.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 75.5 112.451 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.51 113.83 25.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.331 . . . . 53.409999999999997 111.058 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -126.99 125.21 66.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 72.349999999999994 111.136 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 26.6 mt -115.94 110.88 33.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 73.340000000000003 111.152 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.61 -36.57 22.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 52.32 112.44 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.421 ' HG ' ' CZ ' ' F' ' 19' ' ' PHE . 2.6 tm? -164.17 107.79 0.95 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 64.219999999999999 110.927 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 46.0 ttm -122.38 124.89 44.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 75.430000000000007 110.894 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 66.8 t -118.99 119.38 60.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 75.450000000000003 111.105 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.5 26.88 24.46 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.715 -0.755 . . . . 72.519999999999996 112.534 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.21 175.52 24.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.7 -0.762 . . . . 74.409999999999997 112.486 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 5.5 p -152.68 143.68 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.381 . . . . 73.540000000000006 111.129 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 70.319999999999993 111.144 179.91 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.826 0.346 . . . . 75.510000000000005 110.888 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.62 104.95 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 71.25 111.091 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -54.54 -38.96 67.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 70.319999999999993 110.871 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.28 114.81 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 75.129999999999995 110.904 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -130.81 108.97 10.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 73.519999999999996 110.845 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -105.23 110.12 22.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 75.510000000000005 110.857 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -112.26 100.93 9.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 64.109999999999999 110.874 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 19.8 t -149.93 175.5 11.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 74.519999999999996 110.806 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.16 -8.21 39.18 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 65.519999999999996 112.478 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.32 115.24 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 73.510000000000005 110.947 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -101.49 119.81 39.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 74.150000000000006 110.894 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 95.8 t -131.4 114.24 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 74.439999999999998 111.177 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -123.71 117.73 25.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 72.030000000000001 110.845 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -127.06 127.23 44.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 74.109999999999999 110.841 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -118.26 132.89 56.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 73.439999999999998 110.92 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -126.11 116.58 21.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 75.329999999999998 110.839 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -125.68 110.77 14.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 72.25 110.915 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 8.4 t -117.91 115.15 47.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 71.25 111.137 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -106.11 129.64 54.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 74.109999999999999 110.886 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 61.19 54.28 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 74.310000000000002 110.895 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.14 113.98 26.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 72.129999999999995 111.114 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 58.79 96.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 64.010000000000005 110.888 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 4.1 p -135.01 132.08 53.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 73.129999999999995 111.139 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.61 -53.8 30.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 74.219999999999999 112.477 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -167.7 128.89 1.47 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.89 0.376 . . . . 63.43 110.904 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 -99.57 99.93 10.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 64.519999999999996 110.903 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 4.7 tptp -113.66 168.32 9.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 75.25 110.893 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.47 -137.3 34.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.696 -0.764 . . . . 60.109999999999999 112.487 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.95 113.7 25.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 75.340000000000003 111.117 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -127.45 124.28 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 63.109999999999999 111.139 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 26.3 mt -114.92 109.54 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 73.310000000000002 111.111 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.97 -35.5 27.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 44.130000000000003 112.486 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -162.79 107.4 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 74.430000000000007 110.951 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 46.4 ttm -121.93 124.18 43.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 73.129999999999995 110.913 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 67.2 t -121.57 117.67 53.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 64.310000000000002 111.161 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.99 26.91 28.54 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.778 -0.725 . . . . 54.340000000000003 112.462 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.0 176.33 25.77 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.77 -0.729 . . . . 71.310000000000002 112.459 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 4.7 p -152.06 143.49 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.362 . . . . 75.120000000000005 111.17 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 73.230000000000004 111.122 179.942 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.795 0.331 . . . . 64.340000000000003 110.864 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.34 105.07 1.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 72.400000000000006 111.075 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -54.43 -38.91 66.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 61.329999999999998 110.889 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.09 114.76 4.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 62.399999999999999 110.863 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -129.48 108.89 10.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 73.219999999999999 110.888 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -106.04 109.05 20.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 74.420000000000002 110.812 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -112.43 101.08 9.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 71.010000000000005 110.858 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 19.2 t -149.26 175.25 11.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 73.230000000000004 110.818 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.66 -8.36 40.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 71.239999999999995 112.527 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.47 115.43 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.878 0.371 . . . . 74.549999999999997 110.897 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -101.62 120.01 39.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 71.109999999999999 110.863 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 96.8 t -131.29 114.28 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 74.200000000000003 111.146 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -124.15 117.57 24.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 75.120000000000005 110.859 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -127.02 127.28 44.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 74.030000000000001 110.873 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -118.22 133.32 56.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 74.430000000000007 110.916 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -124.59 116.62 22.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 74.519999999999996 110.91 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.53 109.28 11.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 63.530000000000001 110.956 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 10.6 t -117.92 115.97 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 73.5 111.109 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -105.9 129.7 54.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 74.209999999999994 110.872 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 60.51 55.09 3.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 72.329999999999998 110.909 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.43 114.04 26.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 73.150000000000006 111.128 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 58.66 96.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 72.040000000000006 110.879 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 4.0 p -135.84 131.63 50.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 73.329999999999998 111.141 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.51 -53.99 32.5 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 62.140000000000001 112.488 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -166.57 128.63 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 61.100000000000001 110.837 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -100.95 99.68 10.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 75.230000000000004 110.853 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -114.24 169.23 9.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 74.209999999999994 110.857 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.14 -137.09 37.87 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 61.310000000000002 112.489 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.23 113.62 25.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 45.140000000000001 111.128 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -128.19 124.66 62.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.109999999999999 111.124 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 25.7 mt -115.22 108.86 26.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 70.540000000000006 111.152 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.48 -33.38 28.33 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.677 -0.773 . . . . 74.010000000000005 112.463 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -160.96 106.97 1.42 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.821 0.343 . . . . 74.319999999999993 110.919 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 46.1 ttm -122.7 123.26 40.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 55.219999999999999 110.852 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 70.1 t -122.99 116.55 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 74.450000000000003 111.145 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.31 27.67 25.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.795 -0.716 . . . . 61.520000000000003 112.417 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.13 176.91 26.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.734 . . . . 72.129999999999995 112.471 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 p -151.61 143.29 16.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 74.049999999999997 111.097 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 64.319999999999993 111.155 179.903 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.806 0.336 . . . . 71.150000000000006 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.5 104.7 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 74.400000000000006 111.06 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -54.39 -39.16 66.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 72.439999999999998 110.877 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.13 114.98 4.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 74.230000000000004 110.89 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -129.02 108.8 10.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 75.239999999999995 110.871 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -106.32 108.85 20.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 71.150000000000006 110.829 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -112.68 101.33 9.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 73.219999999999999 110.84 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 19.2 t -149.19 174.69 12.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 71.329999999999998 110.835 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.49 -8.25 40.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 75.349999999999994 112.489 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.3 114.9 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.844 0.354 . . . . 64.439999999999998 110.952 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -101.76 120.34 40.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 74.219999999999999 110.91 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 96.4 t -131.53 114.1 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 73.200000000000003 111.1 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 41.1 m170 -124.49 117.38 24.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 74.150000000000006 110.816 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -127.25 128.13 45.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 74.209999999999994 110.815 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -118.25 134.85 54.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 73.450000000000003 110.945 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -124.07 116.21 22.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 72.420000000000002 110.886 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -128.17 108.25 10.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 64.219999999999999 110.871 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 12.0 t -117.69 117.5 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 70.209999999999994 111.13 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' I' ' 19' ' ' PHE . 1.6 m-85 -105.61 129.58 53.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 74.230000000000004 110.892 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 59.93 55.64 3.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 74.540000000000006 110.87 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.08 114.28 26.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 65.319999999999993 111.107 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 58.32 97.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 74.349999999999994 110.842 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 4.5 p -136.49 130.42 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 71.519999999999996 111.123 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.23 -54.09 31.22 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.77 -0.729 . . . . 52.310000000000002 112.462 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -165.78 128.2 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.889 0.376 . . . . 74.239999999999995 110.84 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -102.04 99.3 9.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 73.200000000000003 110.922 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -114.86 169.24 9.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 74.030000000000001 110.892 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.43 -136.43 43.58 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 65.200000000000003 112.454 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.35 113.45 25.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 74.430000000000007 111.093 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -129.04 124.73 61.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 75.219999999999999 111.137 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 25.5 mt -115.75 108.46 25.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 61.420000000000002 111.159 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.64 -31.52 26.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 71.209999999999994 112.508 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -158.9 106.73 1.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.34 . . . . 75.120000000000005 110.907 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 43.9 ttm -125.14 122.42 37.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 72.400000000000006 110.899 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 68.5 t -123.88 116.89 49.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 75.349999999999994 111.109 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.9 27.73 22.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 72.230000000000004 112.48 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.95 176.87 26.23 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.715 -0.755 . . . . 73.420000000000002 112.454 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 4.6 p -151.47 143.27 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 74.209999999999994 111.127 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 75.200000000000003 111.144 179.939 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.762 0.315 . . . . 74.239999999999995 110.888 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.67 105.21 1.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 74.319999999999993 111.109 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -54.0 -39.29 65.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 72.420000000000002 110.896 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.54 115.4 4.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 65.340000000000003 110.921 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -128.49 108.8 10.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 74.400000000000006 110.868 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -106.39 108.94 20.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 74.319999999999993 110.893 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -112.89 101.32 9.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 54.299999999999997 110.887 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 20.2 t -149.95 171.34 16.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 75.099999999999994 110.865 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.05 -7.21 47.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 74.040000000000006 112.491 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.16 112.91 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.813 0.34 . . . . 71.329999999999998 110.89 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -101.85 120.75 40.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 73.510000000000005 110.905 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 96.3 t -131.18 114.26 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 71.120000000000005 111.115 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 42.8 m170 -124.31 115.75 21.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 74.099999999999994 110.86 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -126.5 128.58 47.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 73.319999999999993 110.83 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -117.86 137.47 52.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 75.129999999999995 110.892 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -124.01 115.45 21.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 74.340000000000003 110.887 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -129.65 108.51 10.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 73.109999999999999 110.901 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 5.7 t -116.41 119.43 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 65.340000000000003 111.189 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -105.67 127.22 52.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 73.219999999999999 110.878 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 59.36 56.09 3.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 70.120000000000005 110.939 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.29 115.7 28.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 73.140000000000001 111.131 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 57.61 97.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 61.310000000000002 110.827 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 4.2 p -136.36 128.38 44.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 74.310000000000002 111.125 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.43 -52.45 44.71 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.704 -0.76 . . . . 63.450000000000003 112.495 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -165.89 124.63 1.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.38 . . . . 74.129999999999995 110.851 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -101.83 98.96 9.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 75.299999999999997 110.866 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 4.7 tptp -116.22 170.46 8.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 73.209999999999994 110.861 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.72 -135.37 46.07 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.729 -0.748 . . . . 74.0 112.502 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.87 113.25 24.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.756 0.312 . . . . 75.5 111.133 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -129.84 124.9 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 74.409999999999997 111.096 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 29.4 mt -117.69 108.01 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 70.140000000000001 111.09 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.98 -27.71 27.88 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.719 -0.753 . . . . 73.219999999999999 112.51 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -157.52 106.12 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 64.420000000000002 110.951 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 41.3 ttm -127.47 122.85 34.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 75.120000000000005 110.897 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 77.1 t -126.44 116.57 45.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 74.140000000000001 111.158 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.94 27.75 22.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 62.409999999999997 112.504 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.81 177.21 26.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.752 . . . . 74.420000000000002 112.514 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 5.2 p -151.66 143.76 16.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.928 0.394 . . . . 71.310000000000002 111.086 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 71.549999999999997 111.115 179.908 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.842 0.354 . . . . 74.319999999999993 110.899 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.63 79.89 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 65.329999999999998 111.119 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.452 ' CA ' ' HA2' ' F' ' 29' ' ' GLY . 2.4 mp0 -51.78 -54.51 27.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 75.150000000000006 110.885 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -137.81 115.31 11.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 65.049999999999997 110.904 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.03 108.5 13.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 74.439999999999998 110.888 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -110.1 112.81 25.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 71.329999999999998 110.845 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -121.98 101.64 7.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 72.109999999999999 110.821 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -151.83 176.88 10.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 74.519999999999996 110.875 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.83 -1.97 49.25 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.699 -0.763 . . . . 71.519999999999996 112.469 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.24 119.1 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.37 . . . . 74.420000000000002 110.914 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -109.11 118.54 37.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 74.030000000000001 110.879 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.8 m -135.74 132.87 51.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 74.0 111.126 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -131.67 115.74 16.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 72.150000000000006 110.861 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -124.57 119.33 28.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 73.349999999999994 110.889 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -121.35 133.72 55.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 63.030000000000001 110.913 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -125.17 115.28 20.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 74.120000000000005 110.878 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -121.25 109.61 15.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 73.519999999999996 110.873 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.9 m -118.78 122.27 69.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 70.530000000000001 111.11 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -117.54 131.99 56.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 73.540000000000006 110.894 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 63.46 63.54 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 75.120000000000005 110.909 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.25 113.5 27.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 73.530000000000001 111.095 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 64.67 109.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 75.099999999999994 110.88 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.2 p -151.32 133.55 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 70.140000000000001 111.143 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.79 -72.96 0.58 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.763 -0.732 . . . . 74.140000000000001 112.486 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -144.67 124.2 13.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 74.25 110.825 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -98.75 114.77 27.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 73.310000000000002 110.937 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -114.6 165.99 12.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 74.219999999999999 110.881 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.48 -147.07 10.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.741 . . . . 54.32 112.477 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.67 113.73 23.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.759 0.314 . . . . 73.329999999999998 111.074 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -123.18 127.06 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 73.439999999999998 111.106 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mp -126.93 119.7 53.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 74.530000000000001 111.129 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.72 -29.12 27.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.756 . . . . 50.039999999999999 112.468 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -156.48 108.98 2.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.796 0.331 . . . . 75.25 110.928 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.8 ttp -123.87 128.19 49.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.0 110.88 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.3 t -115.47 112.79 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 74.409999999999997 111.113 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.3 25.24 25.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.724 -0.75 . . . . 73.319999999999993 112.498 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.05 -173.25 46.43 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 71.030000000000001 112.523 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.7 p -169.14 144.57 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 74.540000000000006 111.16 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.1 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 74.400000000000006 111.139 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.825 0.345 . . . . 72.319999999999993 110.858 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.3 79.43 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 74.239999999999995 111.122 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.42 ' CA ' ' HA2' ' G' ' 29' ' ' GLY . 2.2 mp0 -50.36 -53.47 28.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 61.420000000000002 110.881 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -136.63 115.45 12.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 75.530000000000001 110.88 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.67 109.0 14.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 75.239999999999995 110.867 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -110.0 113.21 25.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 64.219999999999999 110.859 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -122.07 101.21 7.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 74.140000000000001 110.837 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' C' ' 8' ' ' SER . 2.8 p -152.76 176.55 11.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 73.420000000000002 110.909 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.41 -3.83 47.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.725 -0.75 . . . . 73.239999999999995 112.493 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.39 116.13 0.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.855 0.36 . . . . 75.310000000000002 110.951 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -107.96 118.44 36.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 73.409999999999997 110.903 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 18.0 m -132.6 132.38 59.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 75.439999999999998 111.105 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -129.69 118.6 22.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 62.43 110.879 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 -125.84 120.46 30.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 74.329999999999998 110.879 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -123.2 133.1 54.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 73.25 110.901 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -125.09 115.74 20.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 75.409999999999997 110.878 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -122.41 110.12 15.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 75.439999999999998 110.913 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 35.1 m -120.16 121.75 66.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 65.519999999999996 111.142 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -114.92 131.36 56.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 70.25 110.861 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 62.68 65.38 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 74.219999999999999 110.87 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.99 113.46 27.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 75.120000000000005 111.102 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 64.47 110.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 62.399999999999999 110.89 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 6.7 p -151.43 133.4 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 71.340000000000003 111.131 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.72 -72.23 0.72 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.713 -0.756 . . . . 73.219999999999999 112.511 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -144.59 124.01 13.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 70.099999999999994 110.895 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -98.74 115.45 28.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 73.340000000000003 110.889 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -114.95 165.79 12.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 74.319999999999993 110.886 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.7 -147.55 11.08 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.708 -0.758 . . . . 72.450000000000003 112.512 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.64 114.59 24.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.755 0.312 . . . . 55.539999999999999 111.132 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -123.95 125.28 70.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 64.439999999999998 111.106 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mp -127.67 118.95 50.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 73.209999999999994 111.141 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.29 -27.9 24.08 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 73.129999999999995 112.501 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -152.37 107.56 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 74.540000000000006 110.894 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.9 ttp -124.89 125.62 44.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 73.209999999999994 110.857 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 38.3 t -115.43 112.1 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 73.409999999999997 111.146 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.3 25.48 26.35 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 65.319999999999993 112.482 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.2 -172.91 46.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.707 -0.759 . . . . 75.120000000000005 112.521 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 p -169.25 144.18 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 75.439999999999998 111.092 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 60.450000000000003 111.095 179.91 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.796 0.331 . . . . 73.040000000000006 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.55 78.95 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.443 . . . . 61.210000000000001 111.137 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . 0.43 ' CA ' ' HA2' ' H' ' 29' ' ' GLY . 2.3 mp0 -51.44 -53.99 31.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 75.140000000000001 110.878 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -137.19 115.35 11.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 75.019999999999996 110.879 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.76 108.94 14.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.498 . . . . 73.549999999999997 110.839 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -110.59 112.82 24.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 75.109999999999999 110.844 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -120.58 101.29 7.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 74.420000000000002 110.893 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 8' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' D' ' 8' ' ' SER . 2.8 p -152.82 176.35 11.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 73.430000000000007 110.862 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.29 -3.95 44.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 74.409999999999997 112.46 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.41 115.59 0.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.842 0.353 . . . . 73.409999999999997 110.902 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -108.39 119.45 39.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 73.310000000000002 110.893 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 17.5 m -131.88 132.59 61.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 74.140000000000001 111.16 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -130.32 118.51 21.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 72.430000000000007 110.898 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -124.98 121.41 34.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 71.109999999999999 110.826 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -124.35 133.03 53.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 73.420000000000002 110.944 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -124.86 115.74 21.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 72.430000000000007 110.878 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -122.83 110.53 15.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 64.349999999999994 110.911 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 35.2 m -120.95 122.56 68.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 75.219999999999999 111.078 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -113.97 130.63 56.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 74.409999999999997 110.884 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 62.0 66.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 75.120000000000005 110.813 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.0 114.0 27.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 74.109999999999999 111.067 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 64.46 109.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 74.140000000000001 110.842 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 p -151.32 133.05 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 65.329999999999998 111.103 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.39 -71.64 0.83 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 64.310000000000002 112.51 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -144.94 123.67 12.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.931 0.396 . . . . 64.319999999999993 110.855 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -98.24 115.82 29.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 71.150000000000006 110.878 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -114.91 165.87 12.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 75.200000000000003 110.858 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.9 -147.35 12.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 72.409999999999997 112.446 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.18 114.54 24.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 73.329999999999998 111.065 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -123.87 124.52 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 75.120000000000005 111.171 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mp -127.29 117.69 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 71.530000000000001 111.104 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.48 -26.96 26.25 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 51.340000000000003 112.443 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -152.03 106.93 3.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.834 0.349 . . . . 71.230000000000004 110.937 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.9 ttp -124.54 124.67 42.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 73.030000000000001 110.865 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 39.8 t -115.63 111.47 35.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.253 -0.43 . . . . 74.420000000000002 111.089 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.95 25.48 23.85 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.743 . . . . 75.329999999999998 112.516 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.51 -172.47 45.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 73.430000000000007 112.476 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 p -169.25 144.33 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.367 . . . . 71.209999999999994 111.14 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.2 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 73.010000000000005 111.149 179.874 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.832 0.349 . . . . 71.200000000000003 110.88 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.23 79.45 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 75.040000000000006 111.124 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 3' ' ' GLU . . . . . 0.433 ' CA ' ' HA2' ' I' ' 29' ' ' GLY . 2.4 mp0 -52.24 -53.99 36.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 73.409999999999997 110.852 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -137.23 115.22 11.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 73.340000000000003 110.923 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.46 108.8 14.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 71.400000000000006 110.854 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -110.68 112.51 24.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 74.219999999999999 110.877 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -119.48 101.35 7.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 71.409999999999997 110.82 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 8' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' C' ' 8' ' ' SER . 2.7 p -153.38 174.96 13.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 73.310000000000002 110.889 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.01 -4.19 44.99 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.748 -0.739 . . . . 73.340000000000003 112.462 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.17 115.71 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.823 0.344 . . . . 71.420000000000002 110.922 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -110.39 120.41 42.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 75.329999999999998 110.862 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 19.7 m -131.11 132.45 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 72.140000000000001 111.12 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -130.22 117.41 19.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 64.299999999999997 110.876 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -123.4 122.0 37.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 72.530000000000001 110.894 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -124.94 133.39 53.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 74.150000000000006 110.928 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -124.52 115.52 21.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 70.430000000000007 110.912 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -123.48 110.74 15.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 75.319999999999993 110.889 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 35.3 m -121.0 123.25 69.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 61.43 111.099 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -112.43 129.2 56.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 75.120000000000005 110.868 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 61.54 67.35 0.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 74.409999999999997 110.895 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.37 114.31 28.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 63.240000000000002 111.103 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 64.44 108.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 53.409999999999997 110.852 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 7.2 p -151.37 132.35 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 73.450000000000003 111.101 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.84 -71.42 0.87 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.765 -0.731 . . . . 54.450000000000003 112.471 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -144.56 123.58 12.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 75.540000000000006 110.868 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -97.97 115.57 28.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 74.310000000000002 110.894 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -114.88 165.73 12.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 75.25 110.911 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.06 -147.74 11.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 44.450000000000003 112.518 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.4 113.92 24.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.768 0.318 . . . . 71.409999999999997 111.122 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -123.83 124.38 69.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 74.349999999999994 111.137 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mp -127.92 117.54 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 74.430000000000007 111.157 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.35 -26.56 25.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 74.540000000000006 112.483 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -150.19 106.26 3.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.834 0.349 . . . . 74.219999999999999 110.904 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 3.0 ttp -124.59 123.46 40.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 72.420000000000002 110.865 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 40.6 t -115.44 110.98 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 75.420000000000002 111.151 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.59 25.55 21.45 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.715 -0.755 . . . . 63.219999999999999 112.481 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.62 -172.03 45.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 65.120000000000005 112.476 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 p -169.22 144.22 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.911 0.386 . . . . 75.319999999999993 111.111 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 74.109999999999999 111.093 179.953 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.85 0.357 . . . . 74.530000000000001 110.846 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.71 82.62 1.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 74.329999999999998 111.084 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 3' ' ' GLU . . . . . 0.438 ' CA ' ' HA2' ' J' ' 29' ' ' GLY . 2.4 mp0 -51.31 -53.99 30.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 75.129999999999995 110.907 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -135.52 115.7 13.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 70.450000000000003 110.885 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.3 108.21 14.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 75.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -111.22 112.95 25.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 71.099999999999994 110.854 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -117.6 100.76 7.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 71.420000000000002 110.899 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 2.7 p -155.35 170.04 22.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 73.200000000000003 110.869 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.95 -2.85 45.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 62.329999999999998 112.474 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -169.82 112.65 0.48 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.793 0.33 . . . . 74.129999999999995 110.931 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -113.29 120.08 39.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 73.200000000000003 110.906 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 m -129.93 132.97 65.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 75.230000000000004 111.149 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -130.02 116.24 18.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 75.349999999999994 110.839 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 -120.92 121.85 38.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 71.209999999999994 110.868 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -124.17 134.34 53.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 73.140000000000001 110.944 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -124.66 115.3 20.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 75.230000000000004 110.926 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -124.4 109.27 13.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 72.010000000000005 110.907 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 m -119.09 123.9 72.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 75.340000000000003 111.098 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -111.42 127.97 55.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 75.329999999999998 110.887 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 60.36 68.47 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 75.409999999999997 110.905 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.89 114.87 29.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 74.439999999999998 111.099 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 64.41 108.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 64.430000000000007 110.86 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -151.62 131.61 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 63.25 111.089 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.63 -71.55 0.85 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 71.129999999999995 112.49 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -144.21 123.24 12.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 73.129999999999995 110.851 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -97.78 115.23 27.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 75.540000000000006 110.913 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -114.75 165.34 12.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 72.409999999999997 110.886 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.13 -147.1 13.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 74.439999999999998 112.44 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.45 113.93 24.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 63.020000000000003 111.117 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -123.43 124.4 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 75.200000000000003 111.12 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mp -129.28 116.12 38.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 74.129999999999995 111.142 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.12 -22.91 31.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 71.5 112.481 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -151.44 106.09 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 71.430000000000007 110.899 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 2.9 ttp -126.09 124.77 41.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 64.400000000000006 110.902 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 29.2 t -118.55 110.22 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 72.349999999999994 111.098 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.85 24.64 27.29 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 74.209999999999994 112.519 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.13 -172.54 44.78 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.727 -0.749 . . . . 63.409999999999997 112.464 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 4.5 p -169.27 144.14 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 74.329999999999998 111.097 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 21.9 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 74.420000000000002 111.135 179.896 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.813 0.339 . . . . 65.109999999999999 110.902 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.31 79.34 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 50.420000000000002 111.1 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -51.92 -53.81 36.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 74.349999999999994 110.886 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -137.34 115.52 11.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 71.549999999999997 110.875 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.04 109.08 14.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 75.109999999999999 110.879 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -110.25 112.02 23.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 74.239999999999995 110.835 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -121.07 101.98 8.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 61.219999999999999 110.853 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 2.7 p -151.62 176.63 11.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 64.420000000000002 110.898 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.83 -2.36 49.32 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.728 -0.749 . . . . 71.420000000000002 112.458 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.14 118.55 0.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.883 0.373 . . . . 74.030000000000001 110.907 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -108.23 118.49 36.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 73.019999999999996 110.824 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 19.9 m -135.31 132.72 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 75.109999999999999 111.116 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -131.5 115.57 16.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 65.340000000000003 110.847 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -124.56 119.65 29.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 73.450000000000003 110.884 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -121.84 133.11 54.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 72.430000000000007 110.896 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -124.9 115.42 20.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 74.540000000000006 110.92 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -121.76 109.15 14.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 73.219999999999999 110.924 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 35.4 m -118.75 122.65 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 75.109999999999999 111.152 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -117.66 131.3 56.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 75.540000000000006 110.871 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 63.57 64.5 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 75.040000000000006 110.885 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.27 112.68 25.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 64.239999999999995 111.121 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 64.79 110.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 72.340000000000003 110.885 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 7.0 p -151.07 134.23 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 75.510000000000005 111.146 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.63 -73.92 0.5 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 74.329999999999998 112.499 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -143.45 123.32 13.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.914 0.388 . . . . 63.130000000000003 110.831 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -98.73 114.75 27.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 74.120000000000005 110.915 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -113.99 167.65 10.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 72.310000000000002 110.929 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . 0.452 ' HA2' ' CA ' ' A' ' 3' ' ' GLU . . . 50.42 -150.48 5.6 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.743 -0.741 . . . . 55.520000000000003 112.491 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.89 113.36 21.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.8 0.333 . . . . 74.519999999999996 111.07 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.41 129.4 75.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 74.420000000000002 111.11 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mp -127.79 119.35 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 74.099999999999994 111.171 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.92 -30.15 26.86 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.759 -0.734 . . . . 72.400000000000006 112.491 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -156.15 109.77 2.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 73.540000000000006 110.917 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.8 ttp -124.54 127.6 47.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 75.510000000000005 110.894 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 39.3 t -114.54 112.22 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 75.030000000000001 111.109 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.48 24.98 26.0 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.783 -0.723 . . . . 74.010000000000005 112.495 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.06 -173.63 47.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.783 -0.722 . . . . 62.020000000000003 112.498 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 5.7 p -169.57 145.39 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 73.120000000000005 111.165 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 65.010000000000005 111.16 179.922 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.814 0.34 . . . . 74.540000000000006 110.901 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.05 79.76 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.510000000000005 111.113 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -51.0 -53.26 34.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 75.019999999999996 110.908 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -136.29 115.6 12.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 72.209999999999994 110.89 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.54 108.97 14.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 74.129999999999995 110.862 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -110.02 112.71 24.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 74.349999999999994 110.839 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -121.59 101.37 7.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 73.239999999999995 110.833 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 8' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' H' ' 8' ' ' SER . 2.8 p -152.76 176.32 11.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 65.400000000000006 110.832 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.49 -3.9 46.8 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.692 -0.766 . . . . 54.32 112.463 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.44 115.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 75.230000000000004 110.913 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -107.46 118.28 36.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 75.319999999999993 110.892 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 19.1 m -132.17 132.31 60.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 72.340000000000003 111.131 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -129.83 118.59 22.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 64.319999999999993 110.796 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -126.15 119.94 28.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 71.420000000000002 110.869 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -122.88 133.09 54.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 74.109999999999999 110.948 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -125.19 115.7 20.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 74.150000000000006 110.904 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -122.21 109.62 14.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 72.099999999999994 110.905 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 34.9 m -119.68 122.13 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 74.530000000000001 111.148 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -115.18 131.09 57.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 74.120000000000005 110.916 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 62.59 65.5 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 72.530000000000001 110.877 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.65 113.1 26.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 75.329999999999998 111.153 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 64.81 110.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 73.040000000000006 110.852 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 p -151.42 133.48 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 74.329999999999998 111.103 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.38 -72.35 0.71 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 55.530000000000001 112.493 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -143.94 124.06 13.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 74.409999999999997 110.836 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -99.6 114.71 27.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 75.439999999999998 110.929 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -114.33 167.72 10.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 74.239999999999995 110.885 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . 0.42 ' HA2' ' CA ' ' B' ' 3' ' ' GLU . . . 50.61 -149.48 6.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.809 -0.71 . . . . 73.400000000000006 112.441 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.33 114.37 23.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.769 0.319 . . . . 75.450000000000003 111.088 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -123.36 127.42 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 71.349999999999994 111.147 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mp -128.02 119.14 50.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 74.310000000000002 111.167 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.8 -29.45 20.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 73.019999999999996 112.467 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -152.96 107.96 3.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.826 0.346 . . . . 73.530000000000001 110.912 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 2.8 ttp -124.02 125.2 44.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 63.450000000000003 110.855 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 39.6 t -115.04 111.12 34.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 73.140000000000001 111.14 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.81 25.2 29.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 64.310000000000002 112.473 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.49 -173.37 47.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 75.209999999999994 112.483 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 p -169.55 145.17 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 73.310000000000002 111.173 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 73.150000000000006 111.184 179.906 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.816 0.341 . . . . 73.340000000000003 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.75 79.19 1.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 64.129999999999995 111.112 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -51.49 -53.64 35.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 72.129999999999995 110.854 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -136.78 115.56 12.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 74.420000000000002 110.846 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.57 109.01 14.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 72.430000000000007 110.881 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -110.68 111.74 23.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 74.040000000000006 110.857 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -119.99 101.53 7.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 70.040000000000006 110.813 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 8' ' ' SER . . . . . 0.43 ' O ' ' HA ' ' I' ' 8' ' ' SER . 2.7 p -153.05 176.06 12.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 72.409999999999997 110.86 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.09 -4.25 44.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.763 -0.732 . . . . 44.130000000000003 112.504 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.41 115.68 0.32 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 75.519999999999996 110.907 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -108.26 119.15 38.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 73.540000000000006 110.882 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 18.7 m -131.44 132.58 62.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 75.219999999999999 111.129 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -130.2 118.65 21.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 75.310000000000002 110.867 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -125.41 120.32 30.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 72.349999999999994 110.87 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -123.55 132.94 54.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 72.109999999999999 110.9 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -124.82 115.78 21.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 73.450000000000003 110.903 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -122.81 109.98 14.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 74.150000000000006 110.922 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 34.6 m -120.53 123.02 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 71.230000000000004 111.16 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -114.28 130.31 56.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 73.109999999999999 110.859 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 62.08 66.49 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 64.310000000000002 110.906 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.54 113.75 27.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 75.239999999999995 111.091 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 64.6 109.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 74.340000000000003 110.848 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 p -151.52 133.02 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.239999999999995 111.131 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.55 -71.84 0.8 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 63.149999999999999 112.472 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -144.23 123.59 13.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.899 0.381 . . . . 64.209999999999994 110.844 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -98.71 114.73 27.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 72.310000000000002 110.856 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -114.4 167.41 10.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 75.019999999999996 110.902 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . 0.43 ' HA2' ' CA ' ' C' ' 3' ' ' GLU . . . 50.8 -149.46 6.84 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 74.120000000000005 112.508 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.76 114.55 23.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.754 0.312 . . . . 70.120000000000005 111.068 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -123.84 126.18 72.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 73.299999999999997 111.137 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mp -128.23 117.66 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 72.319999999999993 111.139 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.39 -28.4 22.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 53.439999999999998 112.545 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -151.08 107.49 3.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.347 . . . . 73.450000000000003 110.881 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 2.9 ttp -124.76 123.98 41.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 72.450000000000003 110.861 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 39.5 t -114.34 111.08 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 75.439999999999998 111.121 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.69 25.59 22.34 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.779 -0.724 . . . . 61.310000000000002 112.494 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.33 -172.95 47.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 44.140000000000001 112.474 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 4.5 p -169.58 145.01 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.844 0.354 . . . . 71.219999999999999 111.177 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 22.4 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 74.230000000000004 111.11 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.804 0.335 . . . . 74.340000000000003 110.894 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.41 78.75 1.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 75.430000000000007 111.135 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -51.74 -53.56 38.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 54.32 110.913 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -136.43 115.39 12.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 73.140000000000001 110.827 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.22 108.92 14.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 75.239999999999995 110.867 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -111.27 111.33 22.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 65.200000000000003 110.866 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -119.05 101.52 8.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 73.230000000000004 110.864 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 8' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' H' ' 8' ' ' SER . 2.7 p -153.36 174.75 13.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 73.140000000000001 110.87 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.33 -3.89 44.11 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 71.150000000000006 112.477 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.2 115.15 0.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.853 0.358 . . . . 73.549999999999997 110.913 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -109.59 120.09 41.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 73.519999999999996 110.919 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 19.7 m -131.2 132.45 63.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 72.239999999999995 111.107 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -130.54 117.6 19.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 74.140000000000001 110.866 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -123.64 121.15 34.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 72.239999999999995 110.886 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -124.1 133.28 53.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 73.010000000000005 110.885 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -124.55 115.9 21.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 74.409999999999997 110.905 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -123.69 110.32 14.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 73.219999999999999 110.955 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 34.9 m -120.84 123.66 70.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 72.549999999999997 111.087 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -112.88 129.0 56.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 75.040000000000006 110.877 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 61.63 67.54 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 64.109999999999999 110.906 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.48 114.61 28.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 72.239999999999995 111.073 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 64.37 109.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 74.519999999999996 110.854 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 7.0 p -151.75 132.86 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 71.409999999999997 111.181 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.43 -70.89 0.98 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.749 -0.739 . . . . 73.030000000000001 112.511 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -144.63 123.27 12.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 74.420000000000002 110.828 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -98.17 114.31 26.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 70.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -114.41 167.34 10.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 65.040000000000006 110.902 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . 0.433 ' HA2' ' CA ' ' D' ' 3' ' ' GLU . . . 51.09 -149.59 7.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 73.439999999999998 112.538 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.23 113.83 23.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.819 0.342 . . . . 75.310000000000002 111.054 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -123.7 125.84 71.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 73.549999999999997 111.146 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mp -128.28 117.58 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 70.200000000000003 111.162 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.52 -27.6 21.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 74.230000000000004 112.479 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -149.82 106.35 3.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 74.129999999999995 110.947 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.9 ttp -123.78 123.26 40.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 71.420000000000002 110.854 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 39.6 t -115.09 110.29 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 74.409999999999997 111.125 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.37 25.52 19.83 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 71.420000000000002 112.524 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.01 -172.48 46.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 62.439999999999998 112.478 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 4.5 p -169.53 145.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.912 0.387 . . . . 74.219999999999999 111.152 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 21.9 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 73.519999999999996 111.125 179.934 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.824 0.345 . . . . 74.310000000000002 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.58 78.92 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 63.43 111.092 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -51.82 -53.67 37.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 72.319999999999993 110.894 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -135.67 115.63 13.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 75.120000000000005 110.887 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.79 108.54 14.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 74.219999999999999 110.871 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -111.41 111.82 23.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 63.439999999999998 110.83 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -117.91 101.11 8.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 53.399999999999999 110.861 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -155.6 169.17 24.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 74.200000000000003 110.885 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.8 -2.84 46.25 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 74.430000000000007 112.455 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -169.69 111.86 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.894 0.378 . . . . 73.409999999999997 110.895 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -112.21 120.07 40.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 74.540000000000006 110.868 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 m -130.22 132.84 64.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 73.310000000000002 111.135 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -129.81 116.71 19.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 72.109999999999999 110.811 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -121.59 121.33 37.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 74.340000000000003 110.808 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -123.98 134.28 53.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 73.140000000000001 110.901 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -124.77 115.44 20.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 74.340000000000003 110.928 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -124.31 108.92 12.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 72.319999999999993 110.915 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 m -119.05 124.06 72.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 74.510000000000005 111.142 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -111.6 127.5 55.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 74.140000000000001 110.866 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 60.47 68.56 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 74.540000000000006 110.917 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.85 115.33 30.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 74.129999999999995 111.145 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 64.23 108.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 74.299999999999997 110.867 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -151.6 132.56 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.120000000000005 111.143 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.5 -71.18 0.93 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 72.0 112.467 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -143.78 122.86 12.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.38 . . . . 74.409999999999997 110.865 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -98.08 113.15 24.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 72.140000000000001 110.915 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -114.51 167.14 10.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 72.439999999999998 110.921 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . 0.438 ' HA2' ' CA ' ' E' ' 3' ' ' GLU . . . 51.66 -149.27 8.63 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 73.310000000000002 112.462 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.49 113.42 23.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.307 . . . . 71.230000000000004 111.136 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -123.23 126.5 73.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 73.450000000000003 111.117 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mp -130.15 116.32 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 74.409999999999997 111.104 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.03 -24.48 27.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 55.210000000000001 112.445 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -150.75 106.05 3.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.822 0.344 . . . . 74.420000000000002 110.957 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 2.9 ttp -124.96 124.27 41.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 72.239999999999995 110.841 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 38.4 t -118.05 109.82 28.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 74.409999999999997 111.125 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.63 24.75 26.15 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 64.420000000000002 112.514 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.7 -173.35 45.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 51.210000000000001 112.527 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 p -169.56 145.02 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 73.040000000000006 111.101 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 22.6 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 74.519999999999996 111.146 179.925 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.796 0.331 . . . . 70.209999999999994 110.862 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.09 86.66 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 74.129999999999995 111.103 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.74 -30.13 30.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 74.519999999999996 110.953 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -161.39 114.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 73.409999999999997 110.886 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -135.6 108.99 7.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 74.400000000000006 110.885 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -109.46 128.82 55.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 72.430000000000007 110.82 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -133.43 101.95 5.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 74.450000000000003 110.883 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.4 t -147.61 176.68 9.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 74.219999999999999 110.879 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.33 -10.07 56.2 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.749 . . . . 64.329999999999998 112.497 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -172.47 116.91 0.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 75.510000000000005 110.942 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -102.12 119.02 38.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 70.549999999999997 110.882 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -139.4 118.56 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 75.209999999999994 111.108 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -117.11 114.09 23.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 71.230000000000004 110.846 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -119.34 122.62 42.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 74.030000000000001 110.867 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.31 134.36 46.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 72.450000000000003 110.88 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -132.49 119.59 20.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 75.030000000000001 110.885 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -121.39 110.49 16.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 73.239999999999995 110.91 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.1 t -113.48 112.21 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 75.450000000000003 111.134 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -104.85 105.03 14.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 73.230000000000004 110.863 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 64.14 89.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 70.150000000000006 110.924 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.15 132.21 56.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.492 . . . . 74.219999999999999 111.066 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 62.37 90.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 74.200000000000003 110.881 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 p -129.38 130.7 67.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 72.040000000000006 111.138 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.68 -53.1 48.13 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 72.340000000000003 112.5 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.71 129.93 6.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.868 0.366 . . . . 71.340000000000003 110.873 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -95.97 106.94 19.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 74.239999999999995 110.856 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -114.67 135.79 53.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 75.400000000000006 110.908 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.78 -149.76 38.6 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 73.430000000000007 112.512 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.83 114.3 21.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.749 0.309 . . . . 70.150000000000006 111.127 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.4 mm -126.87 114.86 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 74.340000000000003 111.15 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mt -134.68 121.23 34.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 74.420000000000002 111.113 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.65 -44.15 68.84 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 75.200000000000003 112.508 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.535 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -173.49 148.86 1.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 71.299999999999997 110.94 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 59.6 mtp -128.14 123.46 34.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 72.099999999999994 110.886 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 99.9 t -118.38 114.66 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 74.540000000000006 111.117 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.29 19.81 62.38 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 53.119999999999997 112.521 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.75 -162.84 29.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 71.120000000000005 112.483 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.6 p -169.26 136.83 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 75.420000000000002 111.126 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 74.109999999999999 111.171 179.895 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.764 0.316 . . . . 63.409999999999997 110.881 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.47 86.92 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 63.299999999999997 111.074 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.34 -29.14 22.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.209999999999994 110.897 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -161.8 114.94 1.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 75.200000000000003 110.88 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -134.57 108.61 8.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 73.129999999999995 110.861 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -109.13 128.43 55.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 65.120000000000005 110.828 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -132.69 101.77 5.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 74.530000000000001 110.917 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 2.5 t -147.44 176.02 10.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 61.340000000000003 110.858 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.49 -10.45 55.63 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 72.230000000000004 112.534 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -172.37 115.07 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 72.510000000000005 110.901 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -101.31 118.63 37.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 70.209999999999994 110.842 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 p -138.33 116.97 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 72.230000000000004 111.125 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -115.72 113.56 23.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 75.219999999999999 110.897 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -118.47 123.04 44.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 75.430000000000007 110.873 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.0 133.26 45.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 73.219999999999999 110.871 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 7.6 tptm -127.16 122.11 33.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 72.319999999999993 110.904 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -121.35 108.8 14.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 72.420000000000002 110.938 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 91.5 t -112.3 113.3 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 71.129999999999995 111.091 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -108.73 100.94 10.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 75.430000000000007 110.888 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 63.92 89.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 71.420000000000002 110.868 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.53 131.37 56.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 72.549999999999997 111.146 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 61.85 90.78 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 64.010000000000005 110.947 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 5.7 p -128.62 130.89 69.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 73.049999999999997 111.174 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.94 -53.02 48.61 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.73 -0.748 . . . . 62.240000000000002 112.489 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.35 130.45 6.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 71.140000000000001 110.881 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -96.63 106.07 18.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 72.010000000000005 110.948 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -115.1 136.43 53.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 75.310000000000002 110.895 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.59 -149.29 36.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 70.430000000000007 112.496 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.26 114.4 21.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.725 0.297 . . . . 71.239999999999995 111.066 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 5.0 mm -127.26 116.56 44.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 74.349999999999994 111.138 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 mt -134.3 124.02 44.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 70.299999999999997 111.097 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.56 -42.8 77.54 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 60.030000000000001 112.529 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.54 ' N ' ' CD1' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -172.05 150.38 2.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.825 0.345 . . . . 71.329999999999998 110.936 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 50.2 mtp -127.7 124.46 37.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 75.549999999999997 110.872 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 98.3 t -126.78 112.83 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 73.420000000000002 111.082 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.27 19.12 59.25 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 75.340000000000003 112.507 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.17 -163.89 29.74 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.724 -0.751 . . . . 73.129999999999995 112.446 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 7.6 p -169.19 133.33 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 72.120000000000005 111.133 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.9 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 75.109999999999999 111.095 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.789 0.328 . . . . 74.310000000000002 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.95 86.48 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 33.43 111.129 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.63 -29.2 24.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 75.540000000000006 110.891 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -162.0 114.7 1.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 64.109999999999999 110.889 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -134.0 108.55 8.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 74.420000000000002 110.908 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -109.61 128.12 55.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 72.040000000000006 110.894 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -132.39 101.71 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 73.420000000000002 110.875 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 2.6 t -147.35 175.5 10.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 72.230000000000004 110.838 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.85 -9.98 55.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 61.130000000000003 112.508 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -172.41 115.38 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.859 0.362 . . . . 74.430000000000007 110.914 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -101.86 119.28 38.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 71.099999999999994 110.926 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 p -138.09 117.67 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 75.010000000000005 111.126 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -116.4 113.44 22.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 73.109999999999999 110.823 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -117.81 123.72 46.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 74.439999999999998 110.851 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.29 132.98 44.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 71.349999999999994 110.898 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -124.94 122.38 37.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 74.109999999999999 110.873 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -122.9 106.6 11.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 71.420000000000002 110.919 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 91.3 t -111.83 113.46 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 73.340000000000003 111.117 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -108.37 99.52 8.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 72.430000000000007 110.91 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 63.63 90.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 74.299999999999997 110.891 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.07 130.69 56.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 75.219999999999999 111.105 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 62.03 90.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 61.009999999999998 110.853 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 p -128.18 131.22 69.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 74.010000000000005 111.145 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.4 -52.89 48.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 71.439999999999998 112.51 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.41 130.77 6.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.868 0.366 . . . . 74.200000000000003 110.874 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -96.74 105.61 17.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 73.409999999999997 110.906 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -115.21 136.67 52.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 75.530000000000001 110.887 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.02 -149.85 36.63 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.702 -0.761 . . . . 74.099999999999994 112.542 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.39 114.33 21.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.755 0.312 . . . . 70.030000000000001 111.101 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 4.6 mm -127.4 116.88 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 75.310000000000002 111.142 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 mt -133.24 124.05 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 74.200000000000003 111.137 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.54 -42.51 76.4 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 74.230000000000004 112.519 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.554 ' CD1' ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -170.53 150.39 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 72.349999999999994 110.889 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 48.5 mtp -126.97 123.67 37.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 73.420000000000002 110.89 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 85.8 t -127.9 113.0 29.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 72.439999999999998 111.107 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.7 20.58 40.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 74.099999999999994 112.522 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.36 -164.6 32.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.785 -0.721 . . . . 74.329999999999998 112.544 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 7.6 p -168.64 133.38 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 73.420000000000002 111.152 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.1 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 73.120000000000005 111.142 179.917 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.86 0.362 . . . . 71.040000000000006 110.895 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.53 85.69 2.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 73.099999999999994 111.065 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.04 -28.99 27.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 74.049999999999997 110.881 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -162.08 114.75 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 75.540000000000006 110.867 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -133.84 108.77 8.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 74.019999999999996 110.896 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -110.55 128.02 55.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 74.450000000000003 110.819 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -131.75 101.95 5.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 64.219999999999999 110.858 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 2.5 t -147.98 174.44 11.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 70.010000000000005 110.878 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.66 -9.63 54.42 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 73.420000000000002 112.5 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -172.1 114.61 0.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.853 0.358 . . . . 75.239999999999995 110.931 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -102.66 119.67 39.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 75.299999999999997 110.867 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 4.3 p -137.33 117.95 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 72.140000000000001 111.138 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -116.45 113.83 23.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 74.150000000000006 110.883 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -117.5 124.1 47.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 71.549999999999997 110.83 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.25 133.25 45.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 74.040000000000006 110.895 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -124.31 120.72 32.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 74.409999999999997 110.944 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -124.01 105.51 9.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.42 . . . . 74.340000000000003 110.95 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 84.2 t -111.68 114.39 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 74.299999999999997 111.149 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -106.46 98.05 7.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 63.130000000000003 110.914 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 63.8 91.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 74.109999999999999 110.869 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.1 131.2 56.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 75.219999999999999 111.113 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 62.22 90.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 74.219999999999999 110.873 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 5.8 p -129.02 131.33 68.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 74.540000000000006 111.082 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.8 -53.08 46.14 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 34.43 112.488 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.31 130.9 7.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 72.400000000000006 110.854 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -95.77 105.96 18.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 74.450000000000003 110.86 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -116.05 136.65 52.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 73.219999999999999 110.896 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.39 -149.42 35.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 73.230000000000004 112.505 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.76 114.62 21.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.802 0.335 . . . . 54.530000000000001 111.064 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 4.3 mm -127.14 117.71 48.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 72.540000000000006 111.1 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mt -132.09 126.53 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 75.540000000000006 111.135 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.12 -42.12 95.0 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.734 -0.746 . . . . 74.400000000000006 112.464 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.504 ' N ' ' CD1' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -170.66 146.61 2.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 74.200000000000003 110.932 -179.888 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 50.9 mtp -124.37 122.14 36.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 73.340000000000003 110.858 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 96.1 t -128.73 111.6 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 72.319999999999993 111.116 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.68 20.94 41.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 75.519999999999996 112.486 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.08 -164.34 31.13 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 74.109999999999999 112.501 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 7.3 p -168.93 135.85 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.879 0.371 . . . . 71.25 111.141 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 18.1 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 71.349999999999994 111.105 179.925 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.812 0.339 . . . . 71.439999999999998 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.6 86.9 2.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 72.129999999999995 111.136 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.51 -29.26 24.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 64.230000000000004 110.934 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -160.71 115.25 2.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 75.140000000000001 110.812 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -133.55 108.08 8.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 71.200000000000003 110.881 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -111.15 128.25 55.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 74.209999999999994 110.827 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -130.44 101.57 5.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 75.329999999999998 110.875 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 2.4 t -147.9 169.83 18.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 73.319999999999993 110.844 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.4 -8.99 57.17 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.786 -0.721 . . . . 61.530000000000001 112.443 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -170.6 111.64 0.39 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.87 0.367 . . . . 75.150000000000006 110.924 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -103.45 119.7 39.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 74.030000000000001 110.874 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 p -137.29 118.73 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 75.409999999999997 111.126 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -116.38 113.49 22.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 72.299999999999997 110.832 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -116.42 125.52 52.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 72.25 110.896 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.51 134.89 46.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 73.409999999999997 110.92 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -124.26 119.83 30.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 73.430000000000007 110.9 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -126.01 106.91 9.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 75.340000000000003 110.887 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 87.3 t -112.06 118.4 57.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 74.120000000000005 111.145 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -106.59 95.91 6.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 74.200000000000003 110.861 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 62.98 91.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 72.319999999999993 110.908 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.55 132.09 56.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 74.540000000000006 111.122 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 61.63 91.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 73.049999999999997 110.88 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 p -129.91 130.53 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 74.540000000000006 111.107 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.55 -52.57 47.94 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.656 -0.783 . . . . 55.530000000000001 112.511 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.39 131.78 7.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 61.32 110.87 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -95.55 103.88 15.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 74.040000000000006 110.83 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -116.09 137.48 52.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 75.25 110.896 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.56 -149.64 33.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 73.109999999999999 112.511 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.59 115.03 21.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 64.150000000000006 111.079 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mm -124.48 116.83 48.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 75.540000000000006 111.1 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 mt -125.91 122.28 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 74.230000000000004 111.123 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.31 -36.68 91.54 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.748 -0.739 . . . . 74.200000000000003 112.451 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.515 ' N ' ' CD1' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -171.06 148.02 2.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.792 0.33 . . . . 75.230000000000004 110.944 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 58.5 mtp -128.0 119.9 26.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 73.510000000000005 110.881 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 98.4 t -133.63 109.79 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 64.239999999999995 111.107 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.68 21.79 16.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.699 -0.763 . . . . 73.310000000000002 112.48 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.53 -163.96 30.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 74.340000000000003 112.519 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -169.22 136.26 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.904 0.383 . . . . 71.409999999999997 111.124 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 17.5 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 73.049999999999997 111.118 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.821 0.343 . . . . 72.049999999999997 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.81 86.92 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 75.340000000000003 111.099 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.51 -30.08 28.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 75.219999999999999 110.895 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.03 115.23 2.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 65.329999999999998 110.863 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -135.37 108.97 7.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 73.209999999999994 110.898 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -109.63 128.42 55.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 75.230000000000004 110.888 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -133.23 102.03 5.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 65.129999999999995 110.884 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 2.5 t -147.09 176.37 9.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 75.310000000000002 110.869 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.01 -10.17 56.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 65.099999999999994 112.507 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -172.37 117.48 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 74.140000000000001 110.882 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -102.2 118.88 37.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.063 -0.517 . . . . 75.439999999999998 110.888 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 4.4 p -139.67 119.18 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 73.349999999999994 111.175 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 65.3 m170 -117.13 114.85 24.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 70.099999999999994 110.897 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -118.71 122.44 42.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 73.239999999999995 110.878 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.09 133.15 44.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 72.219999999999999 110.941 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -132.98 119.27 19.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 70.5 110.861 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -121.72 111.27 16.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 71.310000000000002 110.972 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 89.0 t -114.37 112.03 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 63.219999999999999 111.162 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -103.98 105.23 15.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 74.530000000000001 110.872 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 64.28 88.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 71.329999999999998 110.894 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.75 132.0 56.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 64.25 111.126 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 62.78 90.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 75.430000000000007 110.863 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 p -129.49 130.72 67.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 71.329999999999998 111.139 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.78 -52.93 49.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 35.240000000000002 112.505 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.5 129.68 6.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.895 0.379 . . . . 74.230000000000004 110.826 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -96.03 105.92 18.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.400000000000006 110.911 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -114.25 136.53 52.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 75.530000000000001 110.897 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.82 -151.08 40.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.726 . . . . 74.140000000000001 112.518 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.5 114.05 21.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 73.540000000000006 111.089 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 5.3 mm -126.23 116.22 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 74.209999999999994 111.106 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 mt -135.09 120.68 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 74.129999999999995 111.128 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.33 -44.51 65.56 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 65.140000000000001 112.505 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.532 ' N ' ' CD1' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -173.79 148.71 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.8 0.333 . . . . 75.099999999999994 110.916 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 58.5 mtp -127.68 123.52 35.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 55.140000000000001 110.893 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 94.5 t -119.02 115.28 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 71.420000000000002 111.151 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.01 19.26 61.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 72.420000000000002 112.449 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.07 -162.54 29.68 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 75.019999999999996 112.441 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -169.23 137.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 73.439999999999998 111.139 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 64.349999999999994 111.1 179.921 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.823 0.344 . . . . 74.230000000000004 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.56 87.07 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 73.019999999999996 111.12 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -51.99 -29.59 21.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 72.319999999999993 110.843 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -161.83 115.44 1.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 71.430000000000007 110.844 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -134.36 108.66 8.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 74.319999999999993 110.874 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -108.9 128.3 54.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 74.239999999999995 110.874 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -132.55 101.82 5.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 75.010000000000005 110.855 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 2.5 t -147.5 176.01 10.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 75.329999999999998 110.843 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.8 -10.58 55.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.75 . . . . 73.409999999999997 112.541 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -172.34 115.25 0.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.821 0.344 . . . . 75.140000000000001 110.95 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -101.44 118.62 37.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 74.540000000000006 110.87 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 p -138.16 117.83 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 72.530000000000001 111.078 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -116.07 114.9 25.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 70.140000000000001 110.876 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -118.96 121.91 41.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 75.420000000000002 110.856 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.75 133.02 45.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 72.349999999999994 110.926 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -128.45 121.79 29.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 71.530000000000001 110.908 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -120.93 109.23 14.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 72.219999999999999 110.874 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 91.4 t -112.28 113.7 44.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 75.219999999999999 111.124 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -108.79 100.92 10.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 74.430000000000007 110.882 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 64.07 89.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 74.200000000000003 110.877 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.62 131.73 56.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 73.319999999999993 111.105 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 62.38 90.29 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 74.209999999999994 110.923 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 5.7 p -128.85 130.91 68.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 73.319999999999993 111.13 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.27 -52.64 50.43 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 51.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.51 130.21 6.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.911 0.386 . . . . 73.540000000000006 110.859 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -96.42 105.14 17.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.420000000000002 110.886 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -114.43 137.23 52.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 72.230000000000004 110.89 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.38 -150.33 38.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 72.230000000000004 112.482 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.74 114.41 21.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.696 0.284 . . . . 62.140000000000001 111.097 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 4.9 mm -127.02 117.93 48.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 73.200000000000003 111.091 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 mt -134.89 123.07 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 71.409999999999997 111.119 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.85 -43.25 70.6 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.76 -0.734 . . . . 72.140000000000001 112.519 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.552 ' N ' ' CD1' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -172.29 150.79 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 72.310000000000002 110.902 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 49.3 mtp -128.01 123.97 36.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 63.219999999999999 110.852 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 99.5 t -125.69 112.7 31.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 71.510000000000005 111.133 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.44 19.7 58.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 75.409999999999997 112.47 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.38 -163.9 30.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.696 -0.764 . . . . 33.229999999999997 112.533 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -169.43 134.32 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.896 0.379 . . . . 74.209999999999994 111.107 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 73.239999999999995 111.157 179.889 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.788 0.328 . . . . 72.120000000000005 110.882 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.84 86.66 2.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 71.310000000000002 111.065 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -51.77 -30.12 21.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 74.230000000000004 110.886 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -161.26 115.39 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 74.540000000000006 110.913 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -133.9 108.63 8.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 73.420000000000002 110.853 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -109.34 127.76 54.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 75.209999999999994 110.846 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -131.96 101.81 5.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 71.400000000000006 110.859 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 2.5 t -147.42 175.66 10.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 75.049999999999997 110.865 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.31 -10.31 54.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 44.130000000000003 112.508 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -172.22 115.15 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 71.209999999999994 110.875 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -101.85 119.05 38.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 75.340000000000003 110.895 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 p -137.8 117.74 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 74.140000000000001 111.088 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -116.07 114.43 24.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 71.420000000000002 110.839 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -118.01 123.0 44.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 74.340000000000003 110.921 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.04 133.14 45.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 74.150000000000006 110.883 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -126.08 121.61 33.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 72.200000000000003 110.942 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -122.1 106.37 11.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 74.420000000000002 110.905 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 92.1 t -111.48 114.02 45.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 72.030000000000001 111.101 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -108.77 99.62 8.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 72.010000000000005 110.868 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 63.72 89.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 74.430000000000007 110.875 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.57 130.8 57.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 73.010000000000005 111.096 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 62.07 90.45 0.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 74.409999999999997 110.846 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 p -128.24 130.86 69.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 72.400000000000006 111.164 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.04 -52.88 49.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 62.229999999999997 112.499 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.52 130.11 6.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 65.349999999999994 110.839 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -96.33 105.2 17.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 72.019999999999996 110.891 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -114.86 137.25 52.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 75.140000000000001 110.846 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.93 -150.55 37.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 71.329999999999998 112.512 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.48 114.15 21.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.744 0.307 . . . . 73.219999999999999 111.069 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 4.6 mm -126.88 117.99 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 75.010000000000005 111.113 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 mt -133.6 123.72 46.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 55.109999999999999 111.155 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.39 -42.7 75.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.753 . . . . 62.439999999999998 112.472 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . 0.551 ' CD1' ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -170.88 149.93 3.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.787 0.327 . . . . 75.120000000000005 110.923 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 49.4 mtp -126.93 123.23 36.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 74.129999999999995 110.869 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 99.0 t -128.74 112.82 27.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 74.340000000000003 111.098 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.36 19.86 48.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.683 -0.77 . . . . 61.240000000000002 112.51 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.72 -164.63 31.63 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 31.120000000000001 112.472 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -169.2 133.81 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.862 0.363 . . . . 75.540000000000006 111.12 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 18.9 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 72.109999999999999 111.151 179.898 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.821 0.343 . . . . 75.329999999999998 110.855 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.68 86.73 2.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 75.049999999999997 111.134 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.1 -29.59 22.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 75.439999999999998 110.861 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -161.8 115.29 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 75.209999999999994 110.86 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -133.88 108.67 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 75.450000000000003 110.844 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -110.05 127.94 55.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 73.310000000000002 110.877 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -131.88 102.0 5.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 72.329999999999998 110.886 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 2.5 t -147.68 174.49 11.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 73.140000000000001 110.871 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.87 -9.42 54.33 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.723 -0.751 . . . . 72.25 112.445 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -172.15 114.38 0.32 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.807 0.336 . . . . 75.109999999999999 110.978 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -102.36 119.54 38.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 71.319999999999993 110.875 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 4.3 p -137.59 117.95 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 70.329999999999998 111.122 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -116.29 114.44 24.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 73.329999999999998 110.876 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -117.75 123.78 46.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 70.219999999999999 110.855 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.24 133.05 45.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 74.310000000000002 110.93 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 8.1 tptm -124.41 120.54 32.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 72.219999999999999 110.927 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -123.85 105.59 9.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 75.329999999999998 110.932 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 85.4 t -111.98 114.6 47.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 65.319999999999993 111.144 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -106.54 97.98 7.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 75.450000000000003 110.832 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 63.76 91.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 74.329999999999998 110.902 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.93 131.04 57.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 70.010000000000005 111.124 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 62.34 90.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 73.319999999999993 110.844 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 p -129.1 130.97 68.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 73.120000000000005 111.088 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.08 -53.24 46.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 65.540000000000006 112.496 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.17 130.12 6.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.816 0.341 . . . . 74.150000000000006 110.853 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -95.63 105.09 17.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 72.040000000000006 110.866 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -115.49 137.34 52.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 73.5 110.887 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.48 -150.64 36.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.717 -0.754 . . . . 73.019999999999996 112.495 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.37 114.48 21.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.797 0.332 . . . . 73.450000000000003 111.068 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 4.6 mm -126.72 118.83 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.109999999999999 111.12 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mt -132.37 125.39 53.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 74.150000000000006 111.125 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.04 -42.24 92.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 60.310000000000002 112.494 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . 0.525 ' N ' ' CD1' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -170.67 147.58 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.342 . . . . 72.409999999999997 110.941 -179.909 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 50.6 mtp -125.96 122.12 35.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 74.25 110.878 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 96.8 t -129.46 111.53 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 72.120000000000005 111.163 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.02 20.32 41.42 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.781 -0.723 . . . . 72.409999999999997 112.514 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.03 -164.12 32.39 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 52.450000000000003 112.473 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 7.6 p -169.06 136.15 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 75.230000000000004 111.132 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 19.1 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 73.120000000000005 111.121 179.906 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.82 0.343 . . . . 72.140000000000001 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.69 86.99 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 70.209999999999994 111.1 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -51.94 -29.96 22.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 71.299999999999997 110.889 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -161.07 115.14 2.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 74.010000000000005 110.893 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -133.27 108.53 8.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 75.409999999999997 110.897 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -110.85 127.41 55.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 72.200000000000003 110.815 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -130.03 101.65 5.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 74.409999999999997 110.908 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 2.4 t -148.33 169.63 19.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 74.299999999999997 110.841 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.42 -8.75 57.29 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.759 -0.734 . . . . 75.219999999999999 112.49 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -170.79 112.0 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 75.329999999999998 110.911 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -103.17 119.86 39.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 75.120000000000005 110.872 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 4.6 p -136.71 119.23 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 74.230000000000004 111.105 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 63.7 m170 -116.28 113.81 23.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 75.340000000000003 110.866 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -117.06 124.93 50.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 75.450000000000003 110.856 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.08 134.51 45.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 75.010000000000005 110.887 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -124.47 119.84 30.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 75.25 110.939 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -126.09 106.77 9.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 70.420000000000002 110.895 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 91.1 t -112.42 118.11 56.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 74.129999999999995 111.148 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -106.23 96.1 6.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.481 . . . . 74.209999999999994 110.886 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 63.06 91.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 72.439999999999998 110.891 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.1 132.61 56.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 73.430000000000007 111.065 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 61.67 90.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 70.409999999999997 110.897 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 p -130.45 130.37 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 73.319999999999993 111.126 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.42 -52.31 50.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 74.329999999999998 112.459 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.49 131.29 7.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 75.430000000000007 110.906 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -95.92 103.21 15.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 73.349999999999994 110.898 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -115.31 137.57 51.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 74.129999999999995 110.868 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.27 -150.34 33.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 72.239999999999995 112.489 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.45 114.27 21.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.771 0.319 . . . . 71.439999999999998 111.1 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mm -124.25 117.32 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 73.439999999999998 111.161 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -126.22 122.94 62.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 74.019999999999996 111.159 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.51 -38.27 93.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 70.140000000000001 112.51 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . 0.496 ' N ' ' CD1' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -170.5 147.32 2.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 73.430000000000007 110.886 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 55.5 mtp -128.29 119.63 25.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 72.219999999999999 110.941 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 84.9 t -134.31 109.97 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 73.239999999999995 111.129 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 55.2 21.12 24.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 63.32 112.502 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.39 -162.15 31.57 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 71.219999999999999 112.501 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -169.18 137.49 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 75.450000000000003 111.114 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 74.540000000000006 111.121 179.928 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.809 0.338 . . . . 72.019999999999996 110.839 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.19 87.19 4.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 54.340000000000003 111.068 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -57.73 -24.32 56.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 73.510000000000005 110.894 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -167.22 114.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 72.230000000000004 110.829 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -130.15 109.5 10.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 75.25 110.899 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -109.23 121.48 45.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 62.25 110.866 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -127.99 102.09 6.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 74.409999999999997 110.905 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -148.77 176.05 10.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 71.040000000000006 110.857 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.32 -10.43 38.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 70.150000000000006 112.515 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.39 114.6 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.349 . . . . 72.239999999999995 110.93 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -103.19 120.48 40.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 61.109999999999999 110.887 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 50.5 t -132.16 113.93 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 74.230000000000004 111.143 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 60.6 m170 -114.01 124.49 52.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 72.329999999999998 110.889 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -133.54 115.42 14.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 74.140000000000001 110.84 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -121.2 136.82 54.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 75.340000000000003 110.895 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -131.54 115.36 16.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 71.299999999999997 110.847 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -119.29 110.63 17.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 70.310000000000002 110.92 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 m -116.82 118.97 60.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 72.040000000000006 111.115 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -106.31 106.9 17.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 74.230000000000004 110.909 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 58.99 65.6 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 75.420000000000002 110.914 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.53 138.02 32.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 52.020000000000003 111.091 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.67 77.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 75.099999999999994 110.874 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -112.55 139.43 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 73.099999999999994 111.117 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.29 -47.49 51.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 70.129999999999995 112.483 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.0 m -161.1 124.88 3.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.934 0.397 . . . . 74.340000000000003 110.824 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -108.5 102.44 11.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 75.129999999999995 110.858 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.56 162.27 16.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 72.109999999999999 110.872 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.12 -135.5 50.25 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 72.040000000000006 112.487 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.14 113.64 20.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.722 0.296 . . . . 70.329999999999998 111.118 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 mp -123.49 109.31 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 74.030000000000001 111.113 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.0 mt -137.64 116.17 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 74.430000000000007 111.114 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.18 -48.73 32.05 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.691 -0.766 . . . . 53.039999999999999 112.532 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.511 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -173.19 149.05 1.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 73.310000000000002 110.958 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.3 mtp -123.96 123.17 39.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 71.430000000000007 110.897 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.2 t -111.63 114.58 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 73.310000000000002 111.116 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.95 23.62 46.75 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 74.140000000000001 112.467 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.32 -169.29 25.83 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.7 -0.762 . . . . 71.409999999999997 112.436 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.3 p -168.53 121.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 74.510000000000005 111.142 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 74.510000000000005 111.157 179.897 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.768 0.318 . . . . 74.409999999999997 110.861 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.7 87.05 4.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 61.310000000000002 111.095 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -57.05 -23.53 47.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 71.349999999999994 110.869 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -167.56 114.56 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 75.409999999999997 110.868 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -129.24 108.96 10.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 75.140000000000001 110.81 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -107.48 121.54 44.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 73.510000000000005 110.804 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -127.88 101.21 6.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 72.540000000000006 110.905 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -148.41 175.56 11.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 74.219999999999999 110.883 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.52 -10.24 38.88 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.777 -0.725 . . . . 45.210000000000001 112.486 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.29 114.21 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 75.120000000000005 110.913 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -102.61 120.11 39.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 72.109999999999999 110.863 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.5 t -131.57 114.01 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 71.409999999999997 111.114 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 60.1 m170 -114.91 123.6 49.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 75.510000000000005 110.861 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -133.43 116.75 16.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.169 -0.469 . . . . 74.349999999999994 110.834 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -122.82 135.88 54.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 63.039999999999999 110.923 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.78 116.27 19.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 73.430000000000007 110.891 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -121.21 110.3 16.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 73.349999999999994 110.903 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 27.1 m -118.52 119.45 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 72.25 111.099 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.402 ' CD2' HD13 ' B' ' 34' ' ' LEU . 6.9 m-85 -106.63 110.19 22.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 73.209999999999994 110.854 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 59.58 63.6 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 70.329999999999998 110.927 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.61 137.74 32.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 62.210000000000001 111.05 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.13 77.28 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 75.230000000000004 110.86 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 p -113.23 137.57 45.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 70.519999999999996 111.098 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.51 -46.81 53.84 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.7 -0.762 . . . . 75.299999999999997 112.507 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 11.7 m -161.2 125.44 3.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.875 0.369 . . . . 52.020000000000003 110.862 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -107.47 102.25 11.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 71.019999999999996 110.842 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.0 162.09 17.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 65.239999999999995 110.864 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.5 -134.69 49.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.69 -0.767 . . . . 73.510000000000005 112.511 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.47 113.69 20.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 73.209999999999994 111.102 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 mp -123.54 109.43 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 73.409999999999997 111.137 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 16.8 mt -135.46 119.22 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 74.140000000000001 111.105 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.49 -47.86 43.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 74.420000000000002 112.486 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.531 ' N ' ' CD1' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -171.33 151.46 3.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.85 0.357 . . . . 74.430000000000007 110.915 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.3 ttp -123.16 123.74 41.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 74.519999999999996 110.892 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 78.4 t -119.96 111.07 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 72.319999999999993 111.099 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.88 24.45 49.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.732 . . . . 73.299999999999997 112.486 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.48 -169.3 24.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 74.150000000000006 112.511 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.3 p -167.93 120.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 75.200000000000003 111.169 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 17.6 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 74.209999999999994 111.148 179.911 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.833 0.349 . . . . 73.230000000000004 110.85 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.06 86.92 4.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 74.519999999999996 111.115 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -57.26 -23.6 49.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 75.239999999999995 110.897 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -167.94 114.77 0.71 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 75.239999999999995 110.897 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -129.25 108.97 10.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 74.549999999999997 110.882 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -107.74 120.91 43.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 74.530000000000001 110.831 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -127.3 101.39 6.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 54.530000000000001 110.846 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -148.46 175.54 11.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 74.129999999999995 110.849 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.75 -10.07 38.68 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 72.510000000000005 112.443 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.26 114.29 0.31 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.856 0.36 . . . . 74.329999999999998 110.934 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -102.51 120.1 39.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 74.349999999999994 110.91 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 48.5 t -131.64 114.28 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 74.0 111.165 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -115.32 123.41 48.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 74.109999999999999 110.869 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -133.01 117.4 17.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 73.430000000000007 110.888 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -123.58 135.71 54.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 74.209999999999994 110.913 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -125.94 116.91 22.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 74.400000000000006 110.89 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -123.47 109.63 14.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 72.120000000000005 110.891 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 27.8 m -119.14 119.55 61.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 74.319999999999993 111.14 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . 0.419 ' CD2' HD13 ' C' ' 34' ' ' LEU . 4.7 m-85 -106.22 109.85 21.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 75.140000000000001 110.856 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 59.65 63.59 1.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 75.540000000000006 110.886 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.73 136.99 33.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 63.5 111.095 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.01 77.46 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 65.409999999999997 110.851 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 6.9 p -113.09 137.43 46.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 75.239999999999995 111.152 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.53 -46.8 53.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.774 -0.727 . . . . 71.319999999999993 112.441 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 12.0 m -160.69 125.67 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 74.200000000000003 110.838 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -107.43 101.69 11.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 71.200000000000003 110.938 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.53 161.93 17.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 74.409999999999997 110.9 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.27 -134.54 48.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.729 . . . . 44.229999999999997 112.515 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.34 113.89 21.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.799 0.333 . . . . 73.409999999999997 111.073 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 mp -123.24 109.36 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 73.409999999999997 111.173 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 13.7 mt -134.12 119.55 31.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 74.439999999999998 111.11 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.84 -46.29 54.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 63.530000000000001 112.481 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.549 ' CD1' ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -170.95 151.05 3.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.812 0.339 . . . . 75.299999999999997 110.951 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 1.4 mtp -122.3 122.43 39.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.450000000000003 110.845 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 84.9 t -120.66 110.97 30.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 74.099999999999994 111.135 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.69 25.54 29.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 64.310000000000002 112.487 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.93 -169.38 25.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 74.340000000000003 112.477 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 3.6 p -167.64 120.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.861 0.362 . . . . 73.450000000000003 111.105 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.1 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 72.120000000000005 111.127 179.923 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.854 0.359 . . . . 65.299999999999997 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.93 86.62 4.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 74.129999999999995 111.073 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -57.34 -23.95 52.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 72.109999999999999 110.93 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -168.0 114.96 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 75.430000000000007 110.905 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -128.86 108.83 10.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 73.030000000000001 110.869 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -107.34 120.5 42.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 71.239999999999995 110.845 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -126.99 101.31 6.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 74.219999999999999 110.827 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -148.61 174.62 11.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 63.409999999999997 110.855 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.69 -9.64 39.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 74.129999999999995 112.47 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.16 113.75 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 75.25 110.95 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -102.33 120.24 40.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 65.310000000000002 110.865 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -131.71 114.39 24.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 75.310000000000002 111.119 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 57.4 m170 -115.17 123.47 48.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 73.109999999999999 110.9 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -133.24 117.37 17.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 75.150000000000006 110.851 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -123.83 135.95 54.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 71.109999999999999 110.875 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.46 116.98 23.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 75.299999999999997 110.912 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -125.66 109.0 12.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 72.439999999999998 110.949 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 29.0 m -119.4 119.99 62.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.230000000000004 111.155 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -105.8 109.13 20.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 74.540000000000006 110.849 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 59.86 63.5 1.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 72.450000000000003 110.89 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.85 136.99 34.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 71.439999999999998 111.087 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.78 77.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 75.510000000000005 110.86 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -113.01 137.56 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 64.530000000000001 111.144 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.53 -46.41 55.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 75.25 112.484 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 12.3 m -160.31 126.06 4.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 73.109999999999999 110.867 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -107.02 100.85 10.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 75.230000000000004 110.905 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.43 162.03 18.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 71.310000000000002 110.887 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.58 -134.11 47.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.742 . . . . 73.230000000000004 112.484 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.3 113.55 20.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.765 0.317 . . . . 71.400000000000006 111.136 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 2.1 mp -122.1 109.35 24.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 74.540000000000006 111.106 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 12.6 mt -133.2 119.91 37.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 72.409999999999997 111.169 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.32 -47.0 70.34 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 54.340000000000003 112.469 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.549 ' N ' ' CD1' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -168.38 148.99 4.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 64.530000000000001 110.91 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 1.4 mtp -122.47 120.62 34.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 72.430000000000007 110.907 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 75.4 t -120.7 110.79 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 74.420000000000002 111.124 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.61 25.95 22.76 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.718 -0.753 . . . . 75.420000000000002 112.488 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.12 -169.3 26.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 65.040000000000006 112.484 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 4.1 p -167.43 120.84 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 71.510000000000005 111.142 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 18.5 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 71.109999999999999 111.126 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.86 0.362 . . . . 73.109999999999999 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.17 87.09 5.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 62.399999999999999 111.119 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -57.26 -24.44 54.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 71.329999999999998 110.879 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -167.33 115.37 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 74.120000000000005 110.862 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -128.01 108.9 11.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 65.010000000000005 110.864 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -107.49 120.54 42.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 74.439999999999998 110.828 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -126.28 101.01 6.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 73.340000000000003 110.886 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 2.9 m -149.31 171.34 16.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 74.150000000000006 110.828 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.54 -8.84 45.37 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.751 . . . . 62.109999999999999 112.482 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -170.91 112.11 0.38 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.868 0.365 . . . . 75.040000000000006 110.932 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -102.58 120.23 40.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 75.5 110.861 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -131.71 115.16 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 72.200000000000003 111.147 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -115.19 122.44 46.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 73.109999999999999 110.852 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -132.31 117.81 18.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 72.040000000000006 110.851 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -124.52 137.34 54.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 75.400000000000006 110.935 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.31 115.66 21.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 75.400000000000006 110.894 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -126.48 105.38 8.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 74.219999999999999 110.875 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 29.5 m -115.85 122.54 69.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 74.340000000000003 111.104 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -106.92 108.35 19.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 75.310000000000002 110.855 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 60.25 64.06 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 74.319999999999993 110.854 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.69 137.05 35.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 74.209999999999994 111.064 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.78 77.72 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 65.510000000000005 110.845 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 6.7 p -113.69 137.02 48.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 61.399999999999999 111.11 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.44 -46.15 50.19 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.72 . . . . 73.150000000000006 112.485 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 11.6 m -160.6 125.12 3.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.358 . . . . 74.519999999999996 110.895 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -106.35 99.82 9.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 73.129999999999995 110.907 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.7 163.16 16.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 74.230000000000004 110.885 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.27 -133.84 42.49 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.733 . . . . 74.329999999999998 112.5 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.16 113.36 20.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.781 0.324 . . . . 75.430000000000007 111.103 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 2.2 mp -119.7 111.73 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 72.140000000000001 111.153 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 mt -131.1 114.63 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 74.010000000000005 111.153 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.39 -42.78 84.24 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 74.030000000000001 112.461 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.529 ' N ' ' CD1' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -168.89 147.05 3.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.807 0.337 . . . . 74.310000000000002 110.926 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mtp -124.4 120.41 32.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 74.329999999999998 110.896 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 89.0 t -127.44 109.91 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 75.140000000000001 111.097 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.4 25.51 19.98 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 64.329999999999998 112.457 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.02 -168.77 25.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.728 . . . . 72.430000000000007 112.459 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 p -167.68 122.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.352 . . . . 73.430000000000007 111.146 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 18.1 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 75.299999999999997 111.119 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.835 0.35 . . . . 61.210000000000001 110.874 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.45 87.02 5.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 63.039999999999999 111.065 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -57.26 -24.41 54.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 74.049999999999997 110.876 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -167.29 115.06 0.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 62.0 110.836 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -128.93 109.19 11.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 75.409999999999997 110.89 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -108.74 120.99 44.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 70.010000000000005 110.863 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -127.7 102.23 6.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 75.010000000000005 110.895 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -148.93 176.02 10.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 64.010000000000005 110.833 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.47 -10.39 38.64 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.715 -0.755 . . . . 70.140000000000001 112.493 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.38 114.69 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 74.439999999999998 110.945 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -103.08 120.62 41.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 75.25 110.888 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 51.0 t -132.16 114.04 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 73.030000000000001 111.085 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 61.1 m170 -114.33 124.5 52.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 75.430000000000007 110.901 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -133.69 115.69 14.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 65.239999999999995 110.842 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -121.26 136.73 54.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 75.209999999999994 110.92 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -131.44 115.56 16.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 74.349999999999994 110.911 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -119.63 110.4 16.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 64.25 110.908 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -116.57 119.2 61.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 75.319999999999993 111.157 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -106.02 107.09 17.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 75.019999999999996 110.859 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 58.97 65.51 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 75.400000000000006 110.914 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.28 137.85 32.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 75.420000000000002 111.118 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 57.01 77.51 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 74.420000000000002 110.877 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -112.33 139.11 38.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 64.530000000000001 111.187 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.75 -47.48 55.48 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.797 -0.716 . . . . 64.030000000000001 112.474 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 12.1 m -160.83 124.54 3.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 75.120000000000005 110.912 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -106.7 101.61 11.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 71.430000000000007 110.935 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.65 161.85 17.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 73.430000000000007 110.897 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.16 -137.18 49.33 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.777 -0.725 . . . . 74.319999999999993 112.513 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.0 113.27 20.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 75.030000000000001 111.126 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 mp -122.44 110.83 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 73.049999999999997 111.142 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 18.4 mt -137.86 115.92 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 71.140000000000001 111.177 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.19 -48.74 32.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 53.520000000000003 112.47 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.518 ' N ' ' CD1' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -172.91 148.81 1.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.789 0.328 . . . . 70.120000000000005 110.901 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 1.3 mtp -123.63 123.25 40.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 74.430000000000007 110.868 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 58.0 t -112.6 115.33 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 73.040000000000006 111.126 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.1 22.63 43.64 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.74 . . . . 71.150000000000006 112.46 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.96 -169.67 25.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 72.439999999999998 112.497 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 4.3 p -169.08 121.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 71.099999999999994 111.134 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 18.1 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 62.299999999999997 111.149 179.931 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.859 0.362 . . . . 71.209999999999994 110.912 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.04 87.2 5.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 63.240000000000002 111.107 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -56.77 -23.88 46.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 62.210000000000001 110.901 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -167.43 114.99 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 72.340000000000003 110.877 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -128.45 108.91 10.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 74.530000000000001 110.879 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -107.52 120.76 43.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 73.439999999999998 110.868 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -127.08 101.48 6.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 73.420000000000002 110.854 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -148.36 175.42 11.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 60.340000000000003 110.886 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.63 -9.99 39.24 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.741 -0.742 . . . . 73.019999999999996 112.47 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.45 114.14 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.356 . . . . 74.340000000000003 110.951 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -102.21 120.04 39.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 74.310000000000002 110.881 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -131.46 114.04 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 74.319999999999993 111.102 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -115.27 123.61 49.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 74.120000000000005 110.898 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -133.38 116.67 16.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 71.450000000000003 110.825 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -122.37 135.49 54.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 74.150000000000006 110.889 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.7 116.11 19.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 74.540000000000006 110.93 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -121.37 110.61 16.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 74.299999999999997 110.94 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.74 119.17 60.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 74.409999999999997 111.113 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . 0.4 ' CD2' HD13 ' G' ' 34' ' ' LEU . 6.9 m-85 -105.9 110.0 22.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 74.340000000000003 110.913 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 59.47 63.58 1.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 73.200000000000003 110.85 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.4 137.84 32.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 71.230000000000004 111.109 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.38 77.69 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 75.329999999999998 110.868 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 6.9 p -113.54 137.54 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 64.530000000000001 111.138 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.62 -46.76 53.19 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 64.040000000000006 112.512 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 11.6 m -160.82 124.84 3.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 72.329999999999998 110.848 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -106.5 101.31 10.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 75.310000000000002 110.91 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.78 161.94 17.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.439999999999998 110.905 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.86 -136.18 48.87 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 62.240000000000002 112.494 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.17 113.89 20.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.752 0.31 . . . . 71.140000000000001 111.079 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 mp -123.23 111.33 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 75.310000000000002 111.164 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 18.2 mt -136.27 118.63 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 72.430000000000007 111.156 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.16 -48.15 40.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 73.319999999999993 112.521 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.538 ' N ' ' CD1' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -171.07 151.13 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 62.219999999999999 110.91 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 1.3 mtp -122.65 123.43 41.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 75.510000000000005 110.898 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 65.4 t -120.19 111.03 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 73.219999999999999 111.172 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.22 23.52 47.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 75.420000000000002 112.486 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.16 -169.77 25.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.758 . . . . 72.329999999999998 112.503 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 3.3 p -168.27 120.82 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.909 0.385 . . . . 64.329999999999998 111.137 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 17.6 m . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 74.340000000000003 111.114 179.949 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.772 0.32 . . . . 70.299999999999997 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.19 87.22 5.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 72.140000000000001 111.095 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -57.1 -24.09 51.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 73.299999999999997 110.896 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -167.64 115.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 75.439999999999998 110.903 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -128.66 109.03 10.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 70.219999999999999 110.909 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -107.53 120.22 41.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 74.349999999999994 110.855 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -126.74 101.28 6.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 74.230000000000004 110.887 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -148.29 175.22 11.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 72.019999999999996 110.834 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.48 -10.14 39.25 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 60.43 112.492 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.32 114.2 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 73.140000000000001 110.919 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -102.04 120.07 39.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 74.430000000000007 110.863 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 48.5 t -131.48 114.27 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 71.049999999999997 111.093 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 61.5 m170 -115.5 123.6 48.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 73.319999999999993 110.838 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -133.25 117.06 16.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 70.340000000000003 110.88 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -123.0 135.13 54.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 73.25 110.925 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -125.78 116.42 21.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 63.409999999999997 110.924 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -123.18 109.92 14.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 73.239999999999995 110.934 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 27.3 m -119.31 120.09 62.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 54.219999999999999 111.124 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . 0.428 ' CD2' HD13 ' H' ' 34' ' ' LEU . 4.6 m-85 -106.48 109.73 21.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 74.010000000000005 110.881 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 59.52 63.4 1.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 73.409999999999997 110.862 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.07 137.23 33.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 73.329999999999998 111.083 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.33 77.23 0.26 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 64.230000000000004 110.84 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 6.8 p -113.29 137.95 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 75.400000000000006 111.144 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.81 -46.83 51.31 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.745 -0.741 . . . . 63.219999999999999 112.49 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 11.9 m -160.41 125.39 3.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 65.519999999999996 110.914 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 -107.04 100.75 10.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 74.519999999999996 110.867 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.93 161.76 17.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 75.349999999999994 110.923 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.89 -136.18 46.36 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 71.530000000000001 112.47 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.88 113.77 20.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.723 0.297 . . . . 71.010000000000005 111.077 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 mp -122.34 110.5 27.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 73.230000000000004 111.151 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 14.1 mt -134.14 118.88 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 73.430000000000007 111.137 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.1 -46.66 56.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 71.129999999999995 112.499 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -170.26 150.48 3.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.844 0.354 . . . . 71.439999999999998 110.904 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 1.4 mtp -121.84 122.14 38.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 75.329999999999998 110.898 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 69.1 t -121.27 111.15 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 75.120000000000005 111.105 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 54.29 24.75 30.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 52.030000000000001 112.517 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.73 -169.63 25.44 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.737 -0.744 . . . . 64.329999999999998 112.476 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 3.4 p -168.32 120.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 75.450000000000003 111.121 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 18.0 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 72.400000000000006 111.128 179.921 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.843 0.354 . . . . 65.530000000000001 110.914 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.82 86.5 5.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 72.129999999999995 111.081 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -56.76 -24.22 48.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 75.530000000000001 110.912 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -167.92 115.38 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 74.540000000000006 110.865 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -128.6 109.09 11.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 74.310000000000002 110.905 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -107.18 120.11 41.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 63.350000000000001 110.877 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -126.86 101.36 6.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 74.200000000000003 110.875 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -148.5 174.82 11.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 73.420000000000002 110.843 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.72 -9.72 39.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.731 . . . . 73.430000000000007 112.497 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.16 113.94 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.917 0.389 . . . . 74.510000000000005 110.902 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -101.86 120.31 40.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.109 -0.496 . . . . 74.099999999999994 110.841 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -131.54 114.29 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 73.409999999999997 111.134 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -115.44 123.56 48.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 75.230000000000004 110.847 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -133.38 117.19 16.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 74.340000000000003 110.833 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -123.76 135.06 53.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 72.140000000000001 110.915 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.44 116.73 23.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 73.040000000000006 110.926 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -125.09 108.98 12.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 63.43 110.93 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 27.8 m -119.01 120.21 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 73.200000000000003 111.116 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -106.09 109.1 20.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 75.430000000000007 110.867 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 59.79 64.1 1.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 72.049999999999997 110.889 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.61 137.02 35.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 73.329999999999998 111.075 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.15 77.46 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 60.340000000000003 110.854 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 7.2 p -113.4 137.52 46.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 75.310000000000002 111.099 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.55 -46.3 55.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 73.340000000000003 112.451 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 12.0 m -160.47 125.32 3.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.892 0.377 . . . . 74.099999999999994 110.865 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -106.44 99.82 9.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 73.420000000000002 110.874 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.57 161.67 18.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 73.019999999999996 110.864 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.45 -135.47 44.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.74 . . . . 64.340000000000003 112.485 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.72 113.78 20.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.724 0.297 . . . . 72.230000000000004 111.141 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 2.1 mp -121.9 110.38 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 75.439999999999998 111.16 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 13.6 mt -133.11 119.0 34.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 71.109999999999999 111.171 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.04 -46.87 68.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.761 . . . . 73.439999999999998 112.526 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . 0.551 ' N ' ' CD1' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -168.56 149.14 4.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.746 0.308 . . . . 71.019999999999996 110.959 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 1.5 mtp -122.33 120.51 34.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 73.140000000000001 110.879 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 74.2 t -121.26 110.71 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 74.299999999999997 111.101 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.16 25.67 25.99 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.748 -0.739 . . . . 72.329999999999998 112.539 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.01 -169.27 26.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.786 -0.721 . . . . 75.400000000000006 112.482 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 p -168.07 120.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.356 . . . . 74.329999999999998 111.182 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 75.549999999999997 111.115 179.952 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.842 0.354 . . . . 73.540000000000006 110.928 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.88 87.37 5.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 62.420000000000002 111.111 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -56.47 -25.01 49.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 75.140000000000001 110.864 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -167.66 115.44 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 74.450000000000003 110.916 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -127.77 109.03 11.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 75.530000000000001 110.905 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -107.4 119.97 40.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 63.219999999999999 110.845 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -126.21 101.17 6.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 71.049999999999997 110.849 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 2.9 m -149.27 171.58 16.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 71.219999999999999 110.876 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.6 -8.96 44.94 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.75 . . . . 44.43 112.445 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -170.98 112.58 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 74.209999999999994 110.884 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -101.99 120.28 40.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 72.530000000000001 110.864 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -131.23 114.97 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 52.009999999999998 111.138 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -115.48 122.68 46.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 74.540000000000006 110.891 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -132.24 117.42 18.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 74.400000000000006 110.839 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -124.07 136.04 53.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 74.400000000000006 110.928 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.65 115.54 20.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 74.519999999999996 110.886 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -126.44 105.96 9.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 73.400000000000006 110.861 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 30.6 m -115.9 122.44 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 73.349999999999994 111.186 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -107.1 108.29 19.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 71.420000000000002 110.887 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 60.02 64.23 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 75.430000000000007 110.888 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.5 137.05 36.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 72.310000000000002 111.083 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.91 77.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 71.25 110.867 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 7.0 p -114.28 137.58 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 70.099999999999994 111.088 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.68 -46.63 53.26 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.737 -0.744 . . . . 55.030000000000001 112.479 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 11.5 m -161.02 124.76 3.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.888 0.375 . . . . 71.430000000000007 110.839 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -105.79 99.28 8.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 75.409999999999997 110.912 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.72 162.26 17.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 71.439999999999998 110.917 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.08 -134.99 40.08 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.788 -0.72 . . . . 60.350000000000001 112.516 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.4 113.45 20.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 63.409999999999997 111.102 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 2.2 mp -119.92 112.14 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 74.329999999999998 111.126 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 11.6 mt -130.25 114.28 28.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 73.040000000000006 111.14 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.9 -43.14 81.77 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.717 -0.754 . . . . 74.209999999999994 112.53 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . 0.526 ' N ' ' CD1' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -168.73 146.81 4.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.82 0.343 . . . . 75.25 110.919 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mtp -123.54 120.05 31.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 74.200000000000003 110.916 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 82.0 t -127.83 109.95 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 74.010000000000005 111.128 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.95 24.93 22.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.673 -0.775 . . . . 74.519999999999996 112.553 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.08 -168.65 26.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 65.109999999999999 112.455 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 p -168.25 121.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 75.230000000000004 111.146 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 18.2 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 62.109999999999999 111.138 179.915 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.828 0.347 . . . . 73.549999999999997 110.817 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.75 78.16 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 72.019999999999996 111.12 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -53.96 -47.84 70.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 71.530000000000001 110.909 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -142.51 113.13 7.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 70.299999999999997 110.891 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -138.33 108.62 6.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 73.120000000000005 110.869 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -111.67 130.86 55.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 73.150000000000006 110.861 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -135.33 101.89 4.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 71.540000000000006 110.885 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -154.77 127.63 8.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 64.439999999999998 110.833 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.62 -28.98 31.25 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 73.019999999999996 112.505 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -149.62 112.46 4.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 74.409999999999997 110.912 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -110.04 124.06 50.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 73.010000000000005 110.907 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.8 t -135.33 113.56 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 73.109999999999999 111.127 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -120.03 132.75 55.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 73.540000000000006 110.83 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -134.95 122.68 22.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 54.409999999999997 110.893 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -129.2 132.87 47.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 73.430000000000007 110.89 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -128.57 116.4 19.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 74.230000000000004 110.906 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -115.05 110.85 20.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 73.5 110.913 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -115.66 122.37 69.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 75.010000000000005 111.115 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.407 ' CG ' HD13 ' A' ' 34' ' ' LEU . 8.8 m-85 -105.99 107.63 18.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 74.239999999999995 110.854 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 59.16 89.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 65.239999999999995 110.878 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.31 129.79 55.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 74.140000000000001 111.092 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 62.96 102.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 64.430000000000007 110.909 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.5 p -146.22 135.7 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 75.25 111.109 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.54 -48.76 84.44 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.799 -0.715 . . . . 73.109999999999999 112.492 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.3 m -160.57 139.78 10.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 62.399999999999999 110.87 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -114.38 103.47 11.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 70.129999999999995 110.932 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -115.31 176.3 5.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 75.109999999999999 110.921 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.28 -135.38 27.57 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.731 -0.747 . . . . 62.109999999999999 112.515 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.96 113.8 23.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 75.209999999999994 111.1 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 mp -122.57 106.69 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 75.150000000000006 111.122 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 mt -135.17 117.41 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 75.239999999999995 111.115 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.54 -49.67 20.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 71.310000000000002 112.47 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.584 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -155.94 152.29 28.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 65.109999999999999 110.915 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.8 mmm -125.26 123.03 38.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 74.549999999999997 110.84 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 90.7 t -109.22 115.12 48.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 75.450000000000003 111.091 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.67 -51.06 0.78 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 71.5 112.517 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.23 152.68 6.55 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.702 -0.761 . . . . 74.209999999999994 112.45 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 p -114.78 143.2 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 75.430000000000007 111.132 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 74.519999999999996 111.068 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.838 0.351 . . . . 73.219999999999999 110.903 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.54 78.57 1.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 75.25 111.068 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -54.0 -46.5 71.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 74.019999999999996 110.897 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -144.09 113.4 6.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 75.340000000000003 110.953 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -135.96 109.33 7.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 72.209999999999994 110.901 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -112.23 131.29 55.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 73.430000000000007 110.88 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -135.81 102.24 5.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 65.040000000000006 110.828 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 10.7 t -156.27 126.79 6.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 64.540000000000006 110.907 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.3 -28.35 34.81 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 72.319999999999993 112.491 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -149.65 111.43 4.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.362 . . . . 74.230000000000004 110.919 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -106.85 125.16 50.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 75.420000000000002 110.895 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.4 t -134.3 113.39 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 74.420000000000002 111.117 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 60.0 m170 -120.34 131.6 54.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 71.140000000000001 110.842 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -134.81 123.29 23.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 73.450000000000003 110.824 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -129.07 132.54 47.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.433 . . . . 73.319999999999993 110.911 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -126.94 115.82 19.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 62.310000000000002 110.917 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -118.19 109.95 16.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 72.310000000000002 110.929 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 33.0 m -117.3 121.55 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 75.540000000000006 111.099 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -103.94 110.13 22.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 75.319999999999993 110.903 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 59.3 88.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 73.409999999999997 110.887 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.5 129.42 55.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.349999999999994 111.149 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 62.92 103.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 73.400000000000006 110.872 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 13.9 p -147.48 134.1 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 75.340000000000003 111.11 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.93 -47.2 92.45 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 64.310000000000002 112.521 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 16.5 m -160.45 139.28 10.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.37 . . . . 71.420000000000002 110.858 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 57.6 m-20 -113.78 103.42 11.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 72.140000000000001 110.897 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -115.57 177.28 4.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 73.430000000000007 110.899 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.52 -135.49 28.57 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 64.530000000000001 112.488 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.74 113.69 24.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 65.219999999999999 111.058 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 mp -122.41 106.67 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 72.140000000000001 111.123 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -133.77 117.49 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 75.340000000000003 111.12 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.59 -50.45 14.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 55.109999999999999 112.516 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.581 ' N ' ' CD1' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -154.85 150.97 28.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 65.25 110.949 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 14.4 mmm -123.72 120.56 33.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 74.120000000000005 110.865 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 88.4 t -110.02 114.69 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 75.109999999999999 111.062 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.8 -50.9 0.79 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 73.200000000000003 112.466 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.34 151.96 6.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.75 . . . . 64.430000000000007 112.498 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.3 p -115.77 143.0 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 64.530000000000001 111.145 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 74.230000000000004 111.124 179.916 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.852 0.358 . . . . 73.099999999999994 110.854 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.69 78.23 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 73.510000000000005 111.103 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -54.15 -46.86 72.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.437 . . . . 73.420000000000002 110.871 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -143.59 113.76 7.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 73.510000000000005 110.883 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -134.89 108.71 8.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 75.340000000000003 110.842 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -112.21 130.35 55.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 74.010000000000005 110.859 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -134.7 101.9 5.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 73.450000000000003 110.822 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -156.17 126.85 6.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 74.109999999999999 110.876 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.66 -28.14 37.11 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 71.230000000000004 112.458 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -149.5 112.28 4.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.897 0.379 . . . . 72.219999999999999 110.886 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -106.46 125.3 50.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 74.519999999999996 110.877 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 24.1 t -133.98 113.52 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 73.129999999999995 111.148 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -120.0 131.18 55.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 73.299999999999997 110.838 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -134.98 122.48 21.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 71.310000000000002 110.883 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -129.68 132.48 46.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 74.450000000000003 110.928 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -125.65 115.91 20.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 71.209999999999994 110.916 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -119.36 110.01 16.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 73.140000000000001 110.93 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 34.7 m -117.8 122.26 69.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 74.209999999999994 111.173 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -103.55 110.47 22.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 73.25 110.844 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 59.0 88.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 74.420000000000002 110.907 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.55 129.58 55.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 62.340000000000003 111.087 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.32 103.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 71.430000000000007 110.85 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 14.8 p -147.8 133.3 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 72.25 111.147 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.42 -46.56 94.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.69 -0.767 . . . . 72.319999999999993 112.489 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 16.8 m -160.16 139.6 11.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.356 . . . . 71.430000000000007 110.905 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -113.55 103.31 11.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 72.349999999999994 110.894 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -116.0 177.59 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 72.140000000000001 110.919 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.49 -135.51 28.42 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 72.239999999999995 112.464 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.48 113.71 24.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.769 0.319 . . . . 74.129999999999995 111.109 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 mp -122.69 106.57 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 72.319999999999993 111.116 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -133.62 118.32 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 74.140000000000001 111.112 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.11 -50.92 15.15 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.751 . . . . 71.140000000000001 112.487 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.573 ' CD1' ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -153.75 150.98 29.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.812 0.339 . . . . 74.319999999999993 110.932 -179.902 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 15.8 mmm -124.87 119.14 27.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 63.229999999999997 110.916 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 86.6 t -110.26 115.54 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 64.340000000000003 111.124 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.06 -51.45 0.76 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 71.109999999999999 112.487 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.47 151.71 6.11 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.776 -0.726 . . . . 61.0 112.509 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 3.2 p -115.05 142.85 26.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 73.439999999999998 111.169 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 19.7 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 73.239999999999995 111.152 179.888 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.793 0.33 . . . . 71.230000000000004 110.853 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.12 76.45 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 71.549999999999997 111.095 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -53.33 -47.71 69.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 73.409999999999997 110.874 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -143.7 113.57 7.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 74.340000000000003 110.846 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -133.24 108.54 8.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 75.219999999999999 110.873 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -111.79 129.51 56.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 72.340000000000003 110.852 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -133.31 101.27 5.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 74.510000000000005 110.828 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -156.71 127.09 6.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 75.310000000000002 110.872 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.85 -27.62 44.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 74.450000000000003 112.481 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -149.3 112.93 5.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 75.409999999999997 110.909 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -106.48 126.06 51.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.063 -0.517 . . . . 73.109999999999999 110.906 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 24.6 t -134.07 114.13 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 64.450000000000003 111.136 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 59.6 m170 -120.04 132.26 55.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 63.219999999999999 110.863 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -135.73 122.81 21.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 64.420000000000002 110.808 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -130.25 132.08 45.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 74.120000000000005 110.905 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -124.73 115.49 20.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 73.430000000000007 110.89 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -121.12 110.16 15.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 75.319999999999993 110.93 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 26.8 m -118.36 122.74 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 75.209999999999994 111.094 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 0.411 ' CG ' HD13 ' D' ' 34' ' ' LEU . 2.2 m-30 -102.59 109.64 21.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 74.140000000000001 110.87 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 59.03 89.17 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 74.040000000000006 110.866 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.94 129.44 55.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 62.420000000000002 111.122 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.71 103.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 74.519999999999996 110.847 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 14.5 p -148.05 133.0 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 73.329999999999998 111.182 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.64 -46.62 93.88 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 71.140000000000001 112.518 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 17.1 m -159.74 139.87 11.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.903 0.382 . . . . 72.140000000000001 110.886 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -113.02 103.15 11.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 54.009999999999998 110.888 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -116.64 177.71 4.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 74.430000000000007 110.878 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.96 -134.83 31.32 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 70.299999999999997 112.485 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.14 113.94 25.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 72.219999999999999 111.12 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 mp -122.99 106.86 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 75.230000000000004 111.14 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -133.61 120.25 36.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 63.329999999999998 111.095 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.96 -52.89 20.32 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.722 -0.751 . . . . 72.340000000000003 112.505 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.551 ' N ' ' CD1' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -151.19 148.96 28.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 74.239999999999995 110.895 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 15.7 mmm -124.06 118.38 26.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 73.019999999999996 110.893 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 85.0 t -111.46 116.0 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 72.540000000000006 111.126 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.56 -51.96 0.73 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.79 -0.719 . . . . 73.329999999999998 112.494 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.18 152.25 6.28 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 63.420000000000002 112.483 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 3.2 p -114.86 143.02 25.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.916 0.389 . . . . 75.430000000000007 111.116 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 72.5 111.101 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.833 0.349 . . . . 74.430000000000007 110.839 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.0 79.61 1.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 73.040000000000006 111.096 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -51.36 -46.28 62.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 72.239999999999995 110.893 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -143.53 114.9 7.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 71.129999999999995 110.866 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -131.64 107.7 9.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 74.420000000000002 110.893 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -112.35 128.93 56.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 73.25 110.899 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -131.4 100.26 5.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 72.400000000000006 110.836 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -157.07 127.93 6.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 73.530000000000001 110.854 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.19 -25.88 57.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 71.140000000000001 112.493 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -149.22 112.16 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.366 . . . . 75.310000000000002 110.875 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -105.58 126.5 52.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.085 -0.507 . . . . 75.409999999999997 110.89 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 24.6 t -132.8 114.29 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.439999999999998 111.116 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -119.99 131.18 55.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 75.329999999999998 110.867 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -134.79 122.83 22.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 74.109999999999999 110.874 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -132.32 132.96 43.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 74.329999999999998 110.917 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -125.48 114.97 19.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 72.430000000000007 110.929 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -121.75 107.7 12.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 74.209999999999994 110.906 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 29.3 m -115.31 125.45 72.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 74.349999999999994 111.165 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -102.85 108.72 20.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 75.329999999999998 110.869 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 59.44 89.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 73.299999999999997 110.866 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.84 129.87 55.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 74.439999999999998 111.088 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.04 104.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 75.549999999999997 110.87 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 13.7 p -150.06 132.76 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 74.239999999999995 111.138 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.45 -46.42 93.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 55.350000000000001 112.478 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 16.4 m -160.25 140.1 11.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.37 . . . . 74.450000000000003 110.826 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 -112.12 102.4 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 74.439999999999998 110.882 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -116.76 178.15 4.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 73.150000000000006 110.893 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.6 -134.39 34.42 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.759 . . . . 71.040000000000006 112.498 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.93 113.76 24.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 74.409999999999997 111.105 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 mp -122.63 107.31 19.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 73.019999999999996 111.136 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -132.32 118.22 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 75.299999999999997 111.132 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.73 -49.33 34.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 74.219999999999999 112.493 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.489 ' N ' ' CD1' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -152.15 150.89 30.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 74.329999999999998 110.971 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 24.2 mmm -128.82 118.26 22.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 72.209999999999994 110.866 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 85.7 t -117.11 115.71 49.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 74.230000000000004 111.137 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.48 -49.64 0.86 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.73 . . . . 71.129999999999995 112.487 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 134.58 151.24 6.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 71.219999999999999 112.496 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 3.9 p -115.45 142.48 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 61.32 111.15 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 19.1 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 71.25 111.125 179.943 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.805 0.336 . . . . 74.439999999999998 110.884 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.42 77.19 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 74.120000000000005 111.11 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -52.82 -50.2 64.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 52.520000000000003 110.853 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -140.82 113.97 8.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.439999999999998 110.905 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -137.98 109.08 6.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 75.420000000000002 110.82 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -111.23 130.36 55.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 72.409999999999997 110.849 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -135.05 102.19 5.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 72.219999999999999 110.878 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 10.7 t -154.76 127.37 8.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 61.130000000000003 110.813 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.65 -29.17 31.97 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 55.130000000000003 112.5 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -149.51 112.28 4.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 74.239999999999995 110.909 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -109.16 124.07 50.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 73.040000000000006 110.866 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 23.2 t -134.29 113.55 17.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 73.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -120.69 132.4 55.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 73.549999999999997 110.846 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -135.79 121.9 20.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 72.129999999999995 110.854 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -129.66 133.02 46.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 73.25 110.903 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -129.31 116.96 19.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 74.209999999999994 110.874 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -114.73 111.34 21.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 72.439999999999998 110.896 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 27.9 m -115.73 122.4 69.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 74.510000000000005 111.096 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . 0.416 ' CG ' HD13 ' F' ' 34' ' ' LEU . 8.8 m-85 -105.27 107.96 19.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 74.25 110.882 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 59.33 88.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 74.030000000000001 110.878 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.63 129.98 55.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 73.319999999999993 111.087 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.78 103.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 72.329999999999998 110.853 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 14.3 p -146.13 134.94 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 72.400000000000006 111.153 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.8 -48.64 84.24 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.766 -0.731 . . . . 71.420000000000002 112.487 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 17.1 m -160.64 139.59 10.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.382 . . . . 63.399999999999999 110.854 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 49.3 m-20 -109.4 102.81 11.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 74.439999999999998 110.854 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -114.34 173.64 6.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 74.239999999999995 110.87 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.11 -139.89 18.69 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 64.129999999999995 112.528 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.26 114.52 23.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.776 0.322 . . . . 72.129999999999995 111.067 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 mp -120.96 109.08 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 75.120000000000005 111.1 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -133.61 117.05 25.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 74.430000000000007 111.125 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.03 -50.14 16.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 73.150000000000006 112.462 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.586 ' N ' ' CD1' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -156.84 152.39 26.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 74.040000000000006 110.914 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 8.8 mmm -124.86 122.89 38.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 73.400000000000006 110.882 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 90.4 t -109.15 114.61 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 75.329999999999998 111.128 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.95 -50.8 0.8 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.769 -0.729 . . . . 64.319999999999993 112.465 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.13 152.92 6.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.763 . . . . 72.049999999999997 112.491 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 3.8 p -114.5 142.93 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 75.409999999999997 111.156 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 18.9 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 65.420000000000002 111.094 179.918 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.802 0.335 . . . . 70.230000000000004 110.83 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.06 76.74 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 71.400000000000006 111.067 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.88 -49.77 65.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 75.140000000000001 110.887 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -141.95 114.37 8.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 74.420000000000002 110.89 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -136.41 110.66 8.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 74.140000000000001 110.86 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -112.84 131.19 55.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 74.549999999999997 110.858 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -135.75 102.37 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 72.049999999999997 110.873 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 10.7 t -156.3 126.63 6.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 73.420000000000002 110.881 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.46 -28.24 35.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 65.099999999999994 112.473 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -149.45 111.42 4.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.808 0.337 . . . . 74.299999999999997 110.916 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -106.95 124.93 50.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 74.209999999999994 110.898 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 23.7 t -134.23 113.76 17.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 64.099999999999994 111.119 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -120.44 131.35 54.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 75.129999999999995 110.86 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -134.55 122.85 22.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 74.540000000000006 110.891 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -129.51 132.62 46.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 75.519999999999996 110.9 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -127.37 115.69 19.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 75.540000000000006 110.897 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -117.69 110.16 17.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 73.329999999999998 110.945 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 35.5 m -117.5 121.75 68.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 71.530000000000001 111.144 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -103.46 109.89 21.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 71.510000000000005 110.9 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 59.13 88.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 71.450000000000003 110.863 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.27 130.44 55.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 60.439999999999998 111.074 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 63.56 103.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 65.219999999999999 110.804 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 13.3 p -147.08 133.72 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 74.109999999999999 111.141 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.25 -47.35 91.5 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.742 -0.742 . . . . 54.109999999999999 112.515 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 18.2 m -160.59 139.39 10.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.899 0.38 . . . . 74.329999999999998 110.857 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -110.41 103.63 12.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 75.219999999999999 110.925 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -114.57 174.64 5.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 64.310000000000002 110.931 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.46 -140.14 20.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.706 -0.759 . . . . 72.109999999999999 112.506 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.06 114.54 23.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.738 0.304 . . . . 61.340000000000003 111.117 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 mp -120.99 108.8 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 73.109999999999999 111.087 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -132.67 117.55 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.420000000000002 111.098 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.18 -50.94 15.51 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 74.209999999999994 112.467 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.586 ' N ' ' CD1' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -154.82 150.98 28.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.778 0.323 . . . . 72.519999999999996 110.912 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 14.1 mmm -124.06 120.56 32.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 73.409999999999997 110.876 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 90.3 t -109.9 114.43 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 74.140000000000001 111.142 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.03 -51.09 0.79 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 50.329999999999998 112.509 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.18 152.44 6.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 74.25 112.493 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 3.1 p -115.06 142.73 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 75.340000000000003 111.122 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 17.4 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 71.129999999999995 111.172 179.865 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.789 0.328 . . . . 71.209999999999994 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.92 77.07 1.01 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 63.200000000000003 111.126 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -52.37 -50.05 63.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 74.010000000000005 110.927 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -141.21 114.27 8.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 71.430000000000007 110.888 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -135.27 109.38 8.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.15 -0.477 . . . . 74.310000000000002 110.837 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -112.43 130.31 56.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 73.439999999999998 110.848 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -134.88 102.29 5.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 64.209999999999994 110.857 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 10.7 t -156.12 126.62 6.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 64.349999999999994 110.861 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.63 -28.24 37.11 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.685 -0.769 . . . . 74.099999999999994 112.557 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -149.27 111.47 4.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.371 . . . . 74.310000000000002 110.932 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -105.71 124.88 50.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 75.319999999999993 110.904 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 24.0 t -134.1 113.66 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 74.329999999999998 111.149 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -120.3 131.35 54.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 70.349999999999994 110.807 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -135.33 122.52 21.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 74.25 110.871 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -130.18 132.63 46.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 72.109999999999999 110.893 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -125.66 116.44 21.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 73.319999999999993 110.882 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -119.4 109.82 16.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 74.219999999999999 110.934 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 35.5 m -117.6 122.5 69.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 74.319999999999993 111.114 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' H' ' 19' ' ' PHE . 3.0 m-30 -103.32 109.64 21.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 75.549999999999997 110.895 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 59.3 88.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 73.530000000000001 110.898 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.54 130.17 55.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 74.349999999999994 111.119 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.84 102.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 75.109999999999999 110.921 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 14.9 p -147.48 133.33 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 72.120000000000005 111.167 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.65 -47.26 92.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 64.230000000000004 112.482 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 18.3 m -160.18 139.46 10.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 63.409999999999997 110.856 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 53.3 m-20 -110.39 103.24 11.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 72.409999999999997 110.902 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -114.6 175.22 5.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 73.420000000000002 110.891 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.6 -139.61 21.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 73.239999999999995 112.522 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.78 114.2 23.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 72.129999999999995 111.076 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 mp -121.17 108.14 21.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 74.129999999999995 111.152 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -132.56 118.08 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 75.230000000000004 111.108 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.49 -51.13 16.98 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 65.519999999999996 112.483 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . 0.576 ' CD1' ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -153.67 150.97 29.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 72.340000000000003 110.893 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 15.7 mmm -125.15 119.15 27.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 74.25 110.892 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 87.7 t -110.09 115.6 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 74.430000000000007 111.164 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.92 -51.51 0.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 75.010000000000005 112.466 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.16 152.75 6.4 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.747 -0.74 . . . . 73.129999999999995 112.464 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 p -115.02 142.59 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 73.219999999999999 111.128 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 74.430000000000007 111.155 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.821 0.344 . . . . 71.129999999999995 110.862 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.5 77.8 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 64.219999999999999 111.097 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -51.89 -49.88 62.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 60.329999999999998 110.937 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -141.72 114.24 8.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 75.239999999999995 110.877 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -134.25 109.55 8.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 64.329999999999998 110.895 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -112.34 129.61 56.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 74.430000000000007 110.909 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -133.86 101.68 5.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 73.209999999999994 110.885 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -156.66 126.78 6.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 62.130000000000003 110.85 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.53 -27.96 43.39 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.753 . . . . 64.040000000000006 112.469 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -149.1 112.55 5.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 70.310000000000002 110.916 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -105.51 125.48 51.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 52.420000000000002 110.875 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 24.5 t -133.61 113.98 19.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 75.0 111.15 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -119.72 132.18 55.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 74.25 110.837 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -135.68 122.5 21.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 60.43 110.891 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -130.55 132.2 45.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 73.420000000000002 110.906 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -125.0 115.61 20.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 71.420000000000002 110.883 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -121.29 110.14 15.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 70.129999999999995 110.911 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 28.7 m -118.37 123.1 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 71.129999999999995 111.123 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . 0.427 ' N ' ' CD1' ' I' ' 19' ' ' PHE . 2.3 m-30 -102.75 109.06 20.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 75.450000000000003 110.848 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 59.08 88.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 62.340000000000003 110.877 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.34 130.11 55.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 74.319999999999993 111.111 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.61 102.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 71.319999999999993 110.883 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 14.8 p -147.76 133.02 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 75.219999999999999 111.127 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.82 -46.68 94.04 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 74.010000000000005 112.457 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 17.4 m -160.51 139.79 10.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 74.310000000000002 110.865 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -110.55 102.46 11.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 75.120000000000005 110.924 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -114.54 175.94 5.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 75.310000000000002 110.883 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.89 -138.32 26.0 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.77 -0.728 . . . . 64.120000000000005 112.515 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.38 114.57 24.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.759 0.314 . . . . 64.209999999999994 111.099 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 mp -121.89 108.14 21.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 74.209999999999994 111.134 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -132.76 119.95 39.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 71.25 111.129 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.25 -53.2 20.49 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 61.340000000000003 112.467 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . 0.562 ' N ' ' CD1' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -151.13 148.87 28.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.77 0.319 . . . . 70.439999999999998 110.936 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 16.3 mmm -124.0 118.33 26.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 73.209999999999994 110.877 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 84.4 t -111.02 115.96 51.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 75.219999999999999 111.123 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.42 -52.11 0.72 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 62.240000000000002 112.463 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.25 152.6 6.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 71.540000000000006 112.449 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 3.2 p -114.83 143.35 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 75.340000000000003 111.115 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 18.1 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 72.439999999999998 111.145 179.885 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.82 0.343 . . . . 73.340000000000003 110.849 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.37 77.14 1.02 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 74.109999999999999 111.123 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -51.41 -49.57 61.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 73.040000000000006 110.879 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -142.25 115.08 8.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 71.239999999999995 110.913 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -133.37 108.6 8.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 74.349999999999994 110.843 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -112.2 128.07 56.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 75.319999999999993 110.884 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -131.22 100.96 5.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 73.140000000000001 110.864 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 10.9 t -157.09 127.87 6.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 74.25 110.84 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.99 -26.45 58.23 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.692 -0.766 . . . . 74.530000000000001 112.551 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -149.08 111.89 4.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.838 0.351 . . . . 73.129999999999995 110.947 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -104.43 126.77 51.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 74.530000000000001 110.87 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 24.7 t -133.37 114.04 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 75.349999999999994 111.127 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -119.66 131.1 55.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 74.129999999999995 110.865 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -134.98 122.96 22.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 74.340000000000003 110.837 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -132.93 132.87 42.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 70.129999999999995 110.897 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -125.27 115.28 20.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 75.349999999999994 110.896 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -121.95 107.02 11.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 71.219999999999999 110.925 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 27.9 m -114.9 125.84 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 70.319999999999993 111.123 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' J' ' 19' ' ' PHE . 1.9 m-85 -102.51 108.95 20.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 74.540000000000006 110.91 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 59.35 89.71 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 74.439999999999998 110.884 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.63 130.56 55.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.505 . . . . 74.120000000000005 111.061 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.51 103.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 72.099999999999994 110.869 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 13.7 p -149.6 132.49 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 75.230000000000004 111.102 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.39 -46.56 93.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.722 . . . . 74.25 112.467 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 17.2 m -160.4 139.72 10.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 73.219999999999999 110.887 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -109.26 101.69 10.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 73.030000000000001 110.871 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -114.77 176.74 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 73.230000000000004 110.909 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.38 -138.43 28.03 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 64.200000000000003 112.466 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.16 114.43 23.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.764 0.316 . . . . 72.400000000000006 111.085 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 2.1 mp -120.79 108.52 23.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 74.340000000000003 111.115 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -130.89 117.06 36.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 72.340000000000003 111.116 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.7 -49.75 33.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.743 . . . . 74.140000000000001 112.467 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . 0.494 ' N ' ' CD1' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -152.24 150.91 30.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.336 . . . . 72.540000000000006 110.898 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 22.7 mmm -128.91 118.44 22.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 75.239999999999995 110.854 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 90.8 t -116.98 115.75 49.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 72.120000000000005 111.098 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.4 -49.39 0.87 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 51.539999999999999 112.484 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 134.57 151.23 6.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.723 . . . . 73.439999999999998 112.506 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 p -115.61 142.72 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.93 0.395 . . . . 74.420000000000002 111.108 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 19.1 m . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 73.420000000000002 111.139 179.922 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.825 0.345 . . . . 75.140000000000001 110.845 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.71 75.54 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 71.219999999999999 111.112 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.64 -31.31 24.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 70.420000000000002 110.905 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -164.3 115.42 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 74.219999999999999 110.911 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -127.37 109.3 11.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 74.150000000000006 110.877 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -108.98 108.44 19.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 75.340000000000003 110.898 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -115.34 102.01 9.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 71.319999999999993 110.843 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.0 p -149.96 175.43 11.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 74.439999999999998 110.898 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.73 -28.22 55.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 72.340000000000003 112.518 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -173.94 149.06 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.357 . . . . 75.329999999999998 110.9 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -108.1 119.36 39.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 72.409999999999997 110.912 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.9 t -134.58 113.99 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 71.319999999999993 111.115 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -128.95 122.09 29.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 72.310000000000002 110.819 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -129.1 125.78 37.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 63.240000000000002 110.859 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.49 136.2 52.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 74.329999999999998 110.934 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -128.04 128.38 44.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 74.409999999999997 110.859 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.2 mt -126.23 108.2 11.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 73.109999999999999 110.929 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.3 m -115.23 119.22 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 71.310000000000002 111.153 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -111.81 143.15 43.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 74.519999999999996 110.893 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 60.68 30.49 19.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.200000000000003 110.89 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.81 135.69 33.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 73.549999999999997 111.066 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 61.41 72.93 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 75.219999999999999 110.889 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.4 p -140.45 144.96 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 72.120000000000005 111.154 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.78 -58.96 5.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 74.099999999999994 112.464 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.4 m -159.66 141.79 13.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 72.049999999999997 110.879 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -108.26 107.33 17.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 72.430000000000007 110.877 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -114.77 163.34 15.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 74.25 110.894 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.69 -138.87 40.59 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.721 -0.752 . . . . 65.140000000000001 112.528 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.77 114.11 25.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.751 0.31 . . . . 75.319999999999993 111.098 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -129.76 130.28 66.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 73.230000000000004 111.142 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.3 mt -134.75 122.85 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 73.420000000000002 111.125 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.98 -59.07 7.82 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 73.0 112.484 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.587 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -160.33 152.93 20.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.347 . . . . 63.340000000000003 110.867 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -134.09 127.92 33.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 73.439999999999998 110.888 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 38.2 t -121.6 114.7 44.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 72.230000000000004 111.106 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.28 36.23 74.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.789 -0.72 . . . . 74.129999999999995 112.473 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.4 -167.25 13.93 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 53.439999999999998 112.451 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.0 p -161.69 149.09 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 73.400000000000006 111.086 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.3 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 74.120000000000005 111.103 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.781 0.324 . . . . 70.049999999999997 110.851 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.95 77.32 1.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 71.200000000000003 111.111 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.8 -30.53 9.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.409999999999997 110.932 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -163.16 115.67 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 74.340000000000003 110.905 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -126.07 110.86 14.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 75.420000000000002 110.844 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -107.94 109.86 21.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 75.219999999999999 110.891 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -116.3 101.11 8.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 73.010000000000005 110.876 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 16.7 p -151.6 175.09 12.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 64.230000000000004 110.859 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.42 -28.91 54.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 62.25 112.508 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -174.25 147.56 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 74.439999999999998 110.94 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -104.47 119.98 40.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 63.030000000000001 110.893 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 88.4 t -133.85 113.39 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 71.420000000000002 111.175 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -129.48 123.83 32.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 75.219999999999999 110.825 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -129.07 129.71 45.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 74.030000000000001 110.882 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.01 135.45 49.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 65.400000000000006 110.908 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -125.15 129.65 50.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 75.510000000000005 110.937 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 8.0 mt -132.4 107.34 8.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 73.129999999999995 110.9 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 29.3 m -116.83 119.81 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 70.450000000000003 111.149 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -112.47 141.58 46.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 74.319999999999993 110.876 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 60.64 28.14 17.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 74.310000000000002 110.884 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.06 135.87 33.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 65.209999999999994 111.094 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 60.98 72.98 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 71.219999999999999 110.82 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 p -140.57 144.61 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 73.200000000000003 111.108 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.17 -57.77 6.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 71.340000000000003 112.505 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 36.4 m -160.39 141.23 11.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 71.099999999999994 110.855 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -108.95 107.53 17.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 72.219999999999999 110.89 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -114.37 163.49 15.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 74.230000000000004 110.868 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.24 -139.84 43.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 53.399999999999999 112.488 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.07 114.41 26.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.745 0.307 . . . . 71.299999999999997 111.131 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -128.62 128.41 67.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 74.409999999999997 111.146 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 12.5 mt -131.67 122.78 50.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 74.239999999999995 111.114 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.17 -58.31 9.91 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 74.319999999999993 112.451 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.569 ' N ' ' CD1' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -156.92 153.92 28.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 75.200000000000003 110.883 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.5 mtp -132.97 123.12 25.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 74.510000000000005 110.847 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 26.2 t -121.57 112.22 34.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 72.219999999999999 111.142 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 54.08 37.51 58.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 61.210000000000001 112.482 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.63 -167.52 14.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 72.209999999999994 112.513 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 12.4 p -160.55 148.42 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.338 . . . . 74.5 111.158 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 73.230000000000004 111.142 179.899 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.845 0.355 . . . . 71.299999999999997 110.838 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.37 75.69 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 71.310000000000002 111.089 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.28 -30.52 18.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 72.400000000000006 110.898 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -163.64 116.24 1.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 75.140000000000001 110.9 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -125.96 111.7 15.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 72.430000000000007 110.866 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -108.2 109.27 20.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 74.200000000000003 110.862 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -115.46 100.7 8.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 75.140000000000001 110.851 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 16.6 p -152.71 174.79 13.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 74.25 110.88 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.37 -28.15 53.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 72.150000000000006 112.532 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -174.71 147.77 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.871 0.367 . . . . 75.25 110.855 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -103.35 120.84 41.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 75.310000000000002 110.879 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 92.4 t -133.35 113.63 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 75.299999999999997 111.102 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -130.43 124.04 31.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 72.140000000000001 110.874 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -128.61 131.81 48.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 73.430000000000007 110.834 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.98 136.76 50.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 75.540000000000006 110.887 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -124.16 128.73 49.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 75.349999999999994 110.918 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 8.2 mt -135.69 106.26 6.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 73.019999999999996 110.943 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 26.2 m -117.69 120.77 65.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 72.140000000000001 111.159 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . 0.402 ' CD1' ' N ' ' C' ' 19' ' ' PHE . 1.3 m-85 -112.74 141.1 46.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.319999999999993 110.865 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 59.44 27.91 17.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 75.310000000000002 110.855 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.94 138.19 31.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 75.409999999999997 111.16 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 57.47 72.84 0.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 60.43 110.869 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 p -139.42 143.86 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 74.239999999999995 111.136 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.0 -57.98 6.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.731 . . . . 75.439999999999998 112.499 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 35.6 m -160.47 140.03 10.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 74.450000000000003 110.855 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -108.2 108.16 19.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 73.5 110.882 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -114.5 163.93 14.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 72.349999999999994 110.945 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.62 -140.98 42.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 52.509999999999998 112.497 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.27 114.18 26.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.757 0.313 . . . . 71.409999999999997 111.126 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -128.13 128.73 69.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 75.530000000000001 111.144 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.9 mt -130.53 122.09 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 74.030000000000001 111.134 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.75 -58.88 8.6 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.735 -0.745 . . . . 70.230000000000004 112.468 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.59 ' CD1' ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -155.78 151.13 26.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 74.129999999999995 110.917 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -130.02 122.53 28.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 75.230000000000004 110.858 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 33.6 t -122.66 111.42 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 75.420000000000002 111.114 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.91 38.37 46.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 74.219999999999999 112.479 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.59 -167.01 14.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 72.25 112.5 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 p -159.37 147.72 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.804 0.335 . . . . 74.310000000000002 111.186 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 72.040000000000006 111.112 179.916 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.787 0.327 . . . . 73.439999999999998 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.31 76.26 1.01 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 73.439999999999998 111.119 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.94 -29.98 22.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 72.150000000000006 110.87 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -163.01 115.68 1.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 74.140000000000001 110.876 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -126.34 111.11 14.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 75.530000000000001 110.913 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -107.74 108.85 20.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 73.209999999999994 110.867 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -113.38 100.79 8.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 74.5 110.859 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 16.6 p -153.3 173.91 14.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 74.400000000000006 110.884 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.68 -27.82 49.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 64.219999999999999 112.51 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -173.69 148.32 1.48 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.839 0.352 . . . . 72.430000000000007 110.961 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -103.98 121.79 43.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 74.549999999999997 110.917 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 94.7 t -133.22 113.8 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 75.540000000000006 111.158 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -130.97 122.65 27.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 75.5 110.85 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -127.32 131.96 50.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 72.120000000000005 110.847 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.46 138.27 52.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 73.519999999999996 110.938 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -123.63 127.65 48.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 75.549999999999997 110.882 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 7.2 mt -139.23 106.85 5.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.040000000000006 110.901 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . 0.404 ' HA ' ' CG2' ' E' ' 18' ' ' VAL . 19.5 m -117.94 121.59 67.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 75.439999999999998 111.158 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' D' ' 19' ' ' PHE . 1.1 m-85 -111.93 139.27 47.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 75.230000000000004 110.879 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 58.54 27.46 15.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 72.310000000000002 110.899 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.71 139.92 30.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.497 . . . . 73.010000000000005 111.104 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 55.7 73.64 0.42 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 65.349999999999994 110.818 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 p -140.18 143.36 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 63.109999999999999 111.115 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.94 -57.85 6.72 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.698 -0.763 . . . . 53.310000000000002 112.486 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 36.2 m -160.28 139.63 10.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.357 . . . . 73.400000000000006 110.877 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -107.75 107.7 18.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 74.209999999999994 110.868 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -114.85 164.48 14.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 74.239999999999995 110.886 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.93 -141.69 42.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 62.140000000000001 112.461 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.25 114.18 26.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.728 0.299 . . . . 73.040000000000006 111.114 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -129.05 129.31 67.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 74.340000000000003 111.139 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 mt -129.36 122.65 56.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 70.439999999999998 111.121 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.82 -61.11 6.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.721 -0.752 . . . . 73.239999999999995 112.512 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.611 ' N ' ' CD1' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -153.58 148.93 27.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 74.209999999999994 110.922 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -129.39 122.25 29.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 71.329999999999998 110.92 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 32.6 t -125.1 110.81 25.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.431 . . . . 74.209999999999994 111.104 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.65 37.98 51.75 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.704 -0.76 . . . . 73.530000000000001 112.454 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.47 -165.95 14.25 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 65.430000000000007 112.463 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 11.5 p -158.98 148.17 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 74.019999999999996 111.161 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 73.409999999999997 111.139 179.915 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.808 0.337 . . . . 73.019999999999996 110.889 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.15 76.36 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 74.510000000000005 111.087 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.72 -30.27 21.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 72.140000000000001 110.9 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -162.99 116.65 1.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 74.519999999999996 110.89 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -125.97 110.73 13.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 73.409999999999997 110.894 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -107.09 108.98 20.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 72.400000000000006 110.889 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -111.06 100.62 9.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 70.400000000000006 110.872 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 16.7 p -155.88 169.1 25.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 74.340000000000003 110.811 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.51 -27.98 56.25 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.696 -0.764 . . . . 74.549999999999997 112.513 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -172.37 146.79 1.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.864 0.364 . . . . 75.340000000000003 110.908 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -104.31 122.38 45.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 74.430000000000007 110.883 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 94.2 t -130.87 113.94 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 75.329999999999998 111.13 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -130.18 121.58 26.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 74.310000000000002 110.825 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -127.67 130.76 49.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 73.25 110.897 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.79 140.47 52.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 73.239999999999995 110.949 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -123.62 124.4 42.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 75.25 110.86 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 mt -141.19 105.22 4.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.209999999999994 110.905 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . 0.404 ' CG2' ' HA ' ' D' ' 18' ' ' VAL . 15.6 m -113.92 125.31 71.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 72.430000000000007 111.139 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' E' ' 19' ' ' PHE . 1.0 OUTLIER -112.0 140.38 46.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 74.409999999999997 110.894 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 53.12 27.62 6.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 74.299999999999997 110.853 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.87 140.82 29.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 72.400000000000006 111.069 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 55.23 75.42 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 71.430000000000007 110.875 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 p -141.28 142.7 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 60.229999999999997 111.114 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.18 -57.54 6.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 73.129999999999995 112.481 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 35.8 m -159.45 138.97 11.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 62.140000000000001 110.839 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -107.02 105.12 14.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 73.540000000000006 110.897 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -115.01 163.3 15.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 73.400000000000006 110.875 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.63 -142.11 45.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.691 -0.766 . . . . 72.420000000000002 112.51 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.57 114.39 26.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.775 0.321 . . . . 75.510000000000005 111.084 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -128.07 130.39 69.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 74.209999999999994 111.115 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 12.5 mt -128.6 120.45 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.099999999999994 111.147 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.75 -58.41 10.37 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 73.310000000000002 112.464 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.522 ' N ' ' CD1' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -153.64 151.58 29.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.8 0.333 . . . . 74.109999999999999 110.897 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.2 mtp -132.22 120.47 22.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 73.430000000000007 110.932 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 28.5 t -128.64 109.94 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 75.430000000000007 111.111 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.15 38.14 39.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 64.219999999999999 112.503 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.97 -165.04 13.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 54.420000000000002 112.465 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 p -158.33 147.86 8.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 73.120000000000005 111.128 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 35.3 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 71.120000000000005 111.155 179.899 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.843 0.354 . . . . 75.140000000000001 110.835 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.42 75.6 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 72.140000000000001 111.108 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.87 -30.89 25.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.400000000000006 110.898 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -163.88 115.39 1.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 73.099999999999994 110.924 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 -126.77 109.91 12.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 74.219999999999999 110.861 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -108.6 108.23 19.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 74.400000000000006 110.842 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -114.8 102.03 9.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 73.129999999999995 110.877 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 17.2 p -150.21 175.24 11.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 73.439999999999998 110.888 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.96 -28.16 54.92 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.74 -0.743 . . . . 74.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -174.0 148.74 1.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 75.340000000000003 110.924 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -107.67 119.2 38.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 61.340000000000003 110.833 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 98.1 t -134.56 113.95 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 72.150000000000006 111.145 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -128.87 121.85 29.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 74.129999999999995 110.871 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -129.03 125.92 38.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 75.019999999999996 110.847 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.15 135.82 51.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 72.310000000000002 110.84 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -127.52 128.15 45.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 73.109999999999999 110.907 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 7.8 mt -125.8 108.12 11.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 71.099999999999994 110.94 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 29.0 m -115.18 119.43 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 70.549999999999997 111.139 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -111.78 142.96 43.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 71.230000000000004 110.853 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 60.86 30.05 19.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 72.049999999999997 110.919 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.66 136.29 33.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 75.540000000000006 111.098 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 61.11 73.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 72.430000000000007 110.893 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 6.8 p -140.91 145.53 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 73.430000000000007 111.127 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.87 -58.98 5.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 60.229999999999997 112.498 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 35.5 m -159.95 141.47 12.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.938 0.399 . . . . 74.25 110.852 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -107.46 107.14 17.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 65.25 110.87 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -114.58 163.38 15.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 73.310000000000002 110.906 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.71 -140.27 38.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 71.219999999999999 112.494 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.83 114.17 25.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 72.049999999999997 111.102 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -129.58 131.57 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 74.129999999999995 111.132 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 17.5 mt -135.39 122.73 36.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.349999999999994 111.13 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.75 -59.36 7.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 70.040000000000006 112.479 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.592 ' N ' ' CD1' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -160.13 153.0 21.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.789 0.328 . . . . 73.310000000000002 110.959 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -133.86 127.61 32.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.319999999999993 110.856 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 32.6 t -121.76 114.82 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 75.030000000000001 111.131 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.08 36.02 72.33 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 72.129999999999995 112.518 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.21 -167.29 14.01 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.793 -0.718 . . . . 71.109999999999999 112.486 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 p -161.68 149.43 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.887 0.375 . . . . 74.340000000000003 111.106 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 35.8 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 73.200000000000003 111.126 179.923 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.811 0.338 . . . . 75.019999999999996 110.857 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.58 76.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 72.430000000000007 111.054 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.61 -30.76 14.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 74.230000000000004 110.904 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -162.95 115.69 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 75.340000000000003 110.884 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 -125.52 111.35 14.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 73.120000000000005 110.857 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -108.13 109.33 20.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 73.25 110.834 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -115.58 100.99 8.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 60.109999999999999 110.93 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 17.0 p -151.61 174.94 12.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 73.109999999999999 110.901 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.44 -29.02 54.31 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 73.010000000000005 112.47 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -174.31 147.52 1.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.832 0.349 . . . . 65.219999999999999 110.964 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -103.98 119.8 39.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 71.519999999999996 110.913 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 88.1 t -133.76 113.41 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 65.510000000000005 111.138 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -129.57 123.79 32.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 75.340000000000003 110.872 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -128.85 129.75 45.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 71.109999999999999 110.856 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.06 135.1 49.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 71.409999999999997 110.908 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -125.05 129.03 49.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 74.129999999999995 110.899 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 mt -132.03 107.28 8.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 73.430000000000007 110.874 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 29.7 m -116.81 119.83 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 74.099999999999994 111.17 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -112.35 141.59 45.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 74.439999999999998 110.851 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 60.53 28.42 18.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 74.200000000000003 110.901 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.18 135.86 33.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 71.409999999999997 111.164 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 60.91 73.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 75.109999999999999 110.882 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 p -140.61 144.63 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 71.430000000000007 111.121 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.41 -58.45 5.98 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 73.299999999999997 112.516 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 35.2 m -159.31 140.38 12.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.389 . . . . 73.329999999999998 110.84 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -108.11 107.11 17.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 73.209999999999994 110.922 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -114.08 164.13 14.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 71.099999999999994 110.914 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.72 -141.37 39.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.692 -0.766 . . . . 73.530000000000001 112.499 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.16 114.09 25.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.726 0.298 . . . . 74.420000000000002 111.112 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -127.81 129.43 69.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 74.099999999999994 111.138 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 12.9 mt -132.41 122.44 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 75.409999999999997 111.115 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.85 -58.71 8.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 73.140000000000001 112.452 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.579 ' N ' ' CD1' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -156.53 153.96 29.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.79 0.328 . . . . 73.510000000000005 110.88 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 2.5 mtp -132.94 123.01 25.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 73.200000000000003 110.927 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 26.1 t -121.61 112.19 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 74.219999999999999 111.119 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 54.01 37.23 57.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 62.350000000000001 112.53 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.99 -167.28 14.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 64.150000000000006 112.481 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 12.9 p -160.69 148.58 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.884 0.373 . . . . 74.319999999999993 111.155 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 34.9 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 62.450000000000003 111.166 179.937 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.88 0.371 . . . . 73.540000000000006 110.855 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.5 75.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 71.230000000000004 111.084 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.33 -30.85 19.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 74.140000000000001 110.899 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -162.92 115.85 1.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 73.25 110.907 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -125.64 111.4 14.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 72.129999999999995 110.83 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -107.91 108.78 20.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 75.319999999999993 110.853 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -114.69 100.51 8.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 75.409999999999997 110.901 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 16.9 p -152.63 174.55 13.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 62.140000000000001 110.827 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.44 -28.17 53.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.794 -0.717 . . . . 70.219999999999999 112.468 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -174.69 147.74 1.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.86 0.362 . . . . 70.239999999999995 110.929 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -103.18 120.77 41.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 72.319999999999993 110.907 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 92.4 t -133.24 113.57 19.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 75.030000000000001 111.118 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -130.32 123.82 30.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 74.219999999999999 110.883 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -128.31 131.52 48.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 75.340000000000003 110.838 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.74 136.49 50.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 75.209999999999994 110.897 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -124.17 128.52 49.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 75.420000000000002 110.932 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 8.1 mt -135.73 106.32 6.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 75.439999999999998 110.923 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 25.9 m -117.74 120.98 66.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 75.140000000000001 111.083 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . 0.425 ' N ' ' CD1' ' H' ' 19' ' ' PHE . 1.2 m-85 -112.8 141.11 46.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 60.200000000000003 110.88 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 59.37 27.81 17.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 72.430000000000007 110.846 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.87 137.99 31.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 71.140000000000001 111.14 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 57.64 73.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 74.209999999999994 110.897 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 p -140.21 144.4 27.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 73.140000000000001 111.195 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.61 -58.13 6.09 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 74.329999999999998 112.514 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 35.3 m -159.82 139.82 11.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.9 0.381 . . . . 70.430000000000007 110.87 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -107.95 107.42 18.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 72.540000000000006 110.907 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -114.02 164.51 13.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 73.349999999999994 110.877 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.08 -142.14 39.3 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.748 -0.739 . . . . 64.549999999999997 112.446 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.93 114.22 25.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 74.019999999999996 111.057 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -127.92 129.43 69.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 72.519999999999996 111.14 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 12.2 mt -130.79 122.16 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 74.219999999999999 111.137 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.63 -59.07 8.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 54.0 112.499 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . 0.596 ' CD1' ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -155.38 150.98 27.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.744 0.307 . . . . 74.120000000000005 110.936 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -129.8 122.37 28.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 73.239999999999995 110.861 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 28.3 t -122.85 111.38 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 73.129999999999995 111.137 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.02 37.83 46.0 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.751 . . . . 73.120000000000005 112.505 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.33 -167.09 14.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 64.450000000000003 112.499 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 12.4 p -159.52 147.72 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.89 0.376 . . . . 74.540000000000006 111.157 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 73.25 111.154 179.93 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.807 0.337 . . . . 73.329999999999998 110.871 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.11 75.57 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 62.130000000000003 111.123 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.79 -30.29 22.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 74.299999999999997 110.867 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -163.12 115.8 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 74.450000000000003 110.866 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -126.73 111.35 14.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 74.200000000000003 110.918 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -108.0 108.56 19.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 74.010000000000005 110.849 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -112.51 100.93 9.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 73.329999999999998 110.886 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 16.7 p -153.52 173.69 15.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 64.340000000000003 110.852 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.88 -27.7 49.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.753 . . . . 65.219999999999999 112.493 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -173.75 148.17 1.45 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.866 0.365 . . . . 75.209999999999994 110.932 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -103.94 121.93 44.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 75.510000000000005 110.885 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -133.29 113.69 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 64.219999999999999 111.074 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -130.73 122.51 27.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 72.140000000000001 110.895 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -126.93 131.92 50.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 64.129999999999995 110.902 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.35 138.06 52.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 64.420000000000002 110.892 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -123.73 127.47 48.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 70.319999999999993 110.85 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 mt -139.28 106.91 5.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 75.200000000000003 110.881 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . 0.408 ' HA ' ' CG2' ' J' ' 18' ' ' VAL . 20.0 m -118.05 121.65 67.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 72.209999999999994 111.151 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . 0.433 ' N ' ' CD1' ' I' ' 19' ' ' PHE . 1.1 m-85 -111.95 139.24 47.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 64.510000000000005 110.885 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 58.54 27.95 16.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 75.510000000000005 110.931 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.93 139.94 30.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 73.25 111.103 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 55.38 73.82 0.4 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 74.230000000000004 110.819 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 p -139.75 143.09 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 72.230000000000004 111.144 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.7 -58.47 6.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.775 -0.726 . . . . 74.209999999999994 112.504 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 36.4 m -159.5 138.6 11.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 75.430000000000007 110.833 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -107.1 106.78 17.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 73.129999999999995 110.872 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -114.32 165.25 12.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 75.540000000000006 110.852 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.57 -142.86 39.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.739 . . . . 73.450000000000003 112.473 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.91 113.94 26.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.794 0.331 . . . . 70.019999999999996 111.102 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -128.36 130.53 69.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 72.310000000000002 111.109 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 12.2 mt -129.94 122.48 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 72.549999999999997 111.112 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.83 -61.29 6.2 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 64.239999999999995 112.507 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . 0.604 ' N ' ' CD1' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -153.37 148.55 26.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.34 . . . . 71.340000000000003 110.913 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -129.13 122.3 29.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 75.219999999999999 110.885 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 31.4 t -125.28 110.67 25.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 61.329999999999998 111.111 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.71 37.88 52.11 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.742 -0.742 . . . . 65.540000000000006 112.49 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.39 -166.08 14.34 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.752 -0.737 . . . . 71.329999999999998 112.455 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 p -159.2 148.22 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.351 . . . . 72.129999999999995 111.14 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 73.040000000000006 111.122 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.796 0.331 . . . . 62.25 110.901 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.52 76.11 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 63.119999999999997 111.054 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.6 -30.52 21.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 61.329999999999998 110.863 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -162.86 115.97 1.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 73.400000000000006 110.857 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -126.24 110.78 13.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 73.019999999999996 110.836 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -106.87 108.87 20.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 74.219999999999999 110.835 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -110.6 100.64 9.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 73.099999999999994 110.873 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 16.2 p -155.87 168.74 26.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 62.25 110.844 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.87 -28.37 56.87 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.778 -0.725 . . . . 73.120000000000005 112.475 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -172.47 146.81 1.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.869 0.366 . . . . 73.340000000000003 110.927 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -103.72 122.38 44.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 72.430000000000007 110.874 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 93.1 t -131.14 113.75 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 72.400000000000006 111.149 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -130.27 121.17 25.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 72.439999999999998 110.894 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -127.14 130.55 50.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 74.329999999999998 110.833 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.62 140.37 52.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 74.409999999999997 110.91 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -123.68 124.51 42.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 72.310000000000002 110.88 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 mt -141.15 105.17 4.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.420000000000002 110.922 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . 0.408 ' CG2' ' HA ' ' I' ' 18' ' ' VAL . 15.8 m -113.77 125.39 71.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 74.019999999999996 111.114 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . 0.441 ' CD1' ' N ' ' J' ' 19' ' ' PHE . 1.0 OUTLIER -112.1 140.71 46.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 74.349999999999994 110.933 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 52.88 27.7 5.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 74.400000000000006 110.842 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.89 140.65 29.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 74.200000000000003 111.109 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 55.38 76.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 75.010000000000005 110.848 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 p -141.72 142.2 28.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 65.409999999999997 111.126 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.88 -57.38 7.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.721 -0.752 . . . . 73.349999999999994 112.481 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 36.4 m -159.34 137.59 10.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.866 0.365 . . . . 64.400000000000006 110.839 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -106.7 104.48 14.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 72.219999999999999 110.873 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -114.81 164.18 14.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 73.299999999999997 110.887 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.8 -143.84 44.8 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.72 -0.752 . . . . 54.32 112.497 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.33 113.83 26.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 62.439999999999998 111.108 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -127.87 131.73 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 73.040000000000006 111.139 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 13.3 mt -128.39 120.84 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 63.530000000000001 111.125 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.72 -59.03 9.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 73.540000000000006 112.467 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . 0.54 ' N ' ' CD1' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -153.42 151.16 29.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 74.329999999999998 110.955 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 3.2 mtp -132.01 120.53 22.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 55.310000000000002 110.867 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 25.5 t -128.66 109.95 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 74.510000000000005 111.158 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.4 37.79 40.65 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.766 -0.73 . . . . 70.200000000000003 112.512 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.97 -165.17 13.41 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 50.149999999999999 112.443 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 10.7 p -158.13 147.82 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.926 0.393 . . . . 74.019999999999996 111.138 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 34.9 m . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 64.010000000000005 111.151 179.924 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.846 0.355 . . . . 71.209999999999994 110.88 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.66 91.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 72.439999999999998 111.078 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -76.33 -25.81 55.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 71.310000000000002 110.905 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -162.86 115.1 1.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 72.049999999999997 110.858 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -110.2 107.83 17.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 70.420000000000002 110.896 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -106.61 109.01 20.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 72.209999999999994 110.874 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -122.2 101.14 7.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 75.549999999999997 110.872 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.0 t -148.73 175.27 11.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 51.409999999999997 110.864 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.7 -12.13 33.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 73.140000000000001 112.497 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -171.64 119.06 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.892 0.377 . . . . 74.519999999999996 110.948 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -101.4 119.92 39.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 72.439999999999998 110.876 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.9 t -124.08 114.34 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 70.310000000000002 111.112 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -118.44 113.36 21.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 72.439999999999998 110.846 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -130.24 115.75 17.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 71.049999999999997 110.907 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.45 133.35 52.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 73.239999999999995 110.942 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -128.5 115.91 18.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 75.010000000000005 110.895 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -115.55 111.49 20.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 62.130000000000003 110.896 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.75 120.08 63.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 74.439999999999998 111.145 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -103.48 111.56 24.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 74.239999999999995 110.854 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 57.17 77.59 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 70.040000000000006 110.877 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.01 125.08 50.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 73.099999999999994 111.084 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.4 83.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 73.420000000000002 110.905 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.3 p -123.83 141.44 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 75.0 111.151 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.02 -56.39 25.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 21.219999999999999 112.515 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.4 m -159.93 130.61 5.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 72.450000000000003 110.859 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -101.61 109.95 21.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 71.349999999999994 110.875 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.45 163.25 14.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 63.450000000000003 110.922 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.75 -140.67 47.22 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 51.420000000000002 112.45 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.12 113.26 20.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.751 0.31 . . . . 74.109999999999999 111.06 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.8 mm -98.85 107.76 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 73.450000000000003 111.133 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.2 mt -136.78 108.8 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 72.010000000000005 111.136 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.42 -51.01 12.66 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 51.130000000000003 112.516 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.58 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -158.8 155.62 28.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.783 0.325 . . . . 73.129999999999995 110.91 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -129.76 122.85 29.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 73.530000000000001 110.893 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.6 t -130.36 114.56 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 75.439999999999998 111.159 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.93 19.65 56.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 73.319999999999993 112.441 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.39 172.46 15.03 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.736 -0.745 . . . . 73.120000000000005 112.499 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.8 p -142.96 144.83 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.38 . . . . 74.420000000000002 111.115 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 71.219999999999999 111.171 179.862 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.849 0.357 . . . . 72.239999999999995 110.882 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.43 92.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 65.219999999999999 111.121 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -76.86 -21.78 54.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 75.200000000000003 110.886 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -162.96 114.79 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 72.450000000000003 110.893 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -111.39 107.2 16.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 75.319999999999993 110.918 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -106.55 109.29 21.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 74.219999999999999 110.837 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -120.38 100.51 7.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 74.310000000000002 110.849 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 9.1 t -147.53 175.01 11.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 74.5 110.811 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.92 -11.94 33.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 74.329999999999998 112.524 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.13 119.11 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 63.109999999999999 110.907 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -101.3 120.18 39.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 65.109999999999999 110.914 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -124.19 115.08 43.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 73.109999999999999 111.175 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -118.74 113.53 21.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 74.430000000000007 110.818 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -128.97 116.96 20.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 73.420000000000002 110.859 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.45 133.12 51.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 72.439999999999998 110.876 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -127.86 116.79 20.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 75.319999999999993 110.937 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -119.07 110.92 17.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 70.349999999999994 110.935 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 26.9 m -117.01 120.8 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 74.049999999999997 111.086 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 -102.31 114.52 28.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 75.129999999999995 110.835 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 56.95 76.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 74.099999999999994 110.884 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.82 124.89 49.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 72.510000000000005 111.128 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.42 83.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 73.540000000000006 110.855 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 3.3 p -123.82 139.1 51.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 73.25 111.091 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.12 -55.59 29.37 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.754 . . . . 52.409999999999997 112.494 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 74.1 m -159.18 129.73 5.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.898 0.38 . . . . 73.329999999999998 110.865 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -101.92 108.94 20.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 74.430000000000007 110.9 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -110.98 162.97 14.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 73.450000000000003 110.913 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.09 -140.65 45.59 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.74 . . . . 64.420000000000002 112.454 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.43 113.35 20.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.737 0.303 . . . . 60.32 111.097 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 mm -100.35 108.02 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 73.329999999999998 111.125 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 mt -134.74 110.08 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 75.340000000000003 111.156 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.42 -52.42 7.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 70.0 112.478 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.562 ' N ' ' CD1' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -157.74 154.44 28.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.791 0.329 . . . . 74.409999999999997 110.942 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -125.99 121.09 32.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 71.129999999999995 110.864 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 94.4 t -132.52 114.99 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 73.430000000000007 111.125 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.77 21.08 42.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 74.319999999999993 112.479 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.81 172.82 15.54 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 63.509999999999998 112.481 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -142.67 143.63 25.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 73.010000000000005 111.132 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 34.4 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 62.409999999999997 111.098 179.924 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.856 0.36 . . . . 73.129999999999995 110.857 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.57 93.04 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.462 . . . . 61.420000000000002 111.133 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -75.29 -19.67 59.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 74.329999999999998 110.868 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -163.26 114.65 1.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 75.129999999999995 110.836 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -112.04 107.0 15.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 74.340000000000003 110.834 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -106.23 110.01 22.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 65.510000000000005 110.847 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -120.21 100.44 7.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 75.019999999999996 110.866 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 9.2 t -147.54 174.84 11.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 72.5 110.88 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.14 -11.99 32.68 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 73.140000000000001 112.477 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.38 119.08 0.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.861 0.362 . . . . 74.310000000000002 110.941 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -101.08 120.09 39.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 75.129999999999995 110.89 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 93.8 t -124.94 114.84 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 64.319999999999993 111.132 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -119.34 113.48 20.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 63.030000000000001 110.882 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -127.58 117.73 22.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 74.420000000000002 110.865 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.29 132.75 51.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 73.129999999999995 110.905 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -126.32 115.87 20.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 74.150000000000006 110.901 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -119.86 111.06 17.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.426 . . . . 75.049999999999997 110.932 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 29.5 m -118.24 121.3 66.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 72.510000000000005 111.098 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' C' ' 19' ' ' PHE . 2.9 m-30 -101.91 113.94 27.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 72.319999999999993 110.871 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 11.1 m-30 56.68 75.93 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 75.439999999999998 110.924 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.93 124.43 48.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 61.109999999999999 111.094 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.87 83.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 75.329999999999998 110.928 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 3.2 p -122.66 138.86 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 73.140000000000001 111.091 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.04 -55.98 27.24 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.763 -0.732 . . . . 63.509999999999998 112.448 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 73.9 m -159.08 128.95 5.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 73.349999999999994 110.869 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -102.65 109.14 20.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 65.219999999999999 110.889 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -110.56 162.81 14.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 75.329999999999998 110.911 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.9 -140.61 44.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 63.399999999999999 112.509 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.45 113.63 20.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.759 0.314 . . . . 71.519999999999996 111.084 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.8 mm -101.2 107.98 22.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 71.219999999999999 111.159 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.1 mt -133.44 111.0 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 75.209999999999994 111.154 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.5 -52.84 7.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.763 -0.732 . . . . 71.430000000000007 112.49 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.551 ' CD1' ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -156.34 154.06 29.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.33 . . . . 72.549999999999997 110.924 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -126.6 119.59 27.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 75.209999999999994 110.853 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 93.8 t -133.31 115.33 22.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 74.140000000000001 111.123 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.19 21.65 40.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 64.219999999999999 112.471 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.08 172.87 16.06 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 64.219999999999999 112.471 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 7.3 p -142.49 143.39 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.936 0.398 . . . . 71.299999999999997 111.137 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 34.9 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 63.340000000000003 111.11 179.961 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.83 0.348 . . . . 74.420000000000002 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.48 91.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 72.030000000000001 111.052 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -77.93 -17.94 56.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 73.010000000000005 110.893 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -162.86 114.69 1.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 74.109999999999999 110.889 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -112.6 107.18 15.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 73.319999999999993 110.85 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -106.41 110.12 22.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 71.510000000000005 110.847 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -119.19 100.36 7.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 73.430000000000007 110.87 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 8.9 t -147.82 174.58 11.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 72.310000000000002 110.882 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.23 -12.28 31.75 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.742 . . . . 74.319999999999993 112.479 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -172.26 119.93 0.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.874 0.368 . . . . 74.209999999999994 110.936 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -101.65 120.18 39.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 72.219999999999999 110.89 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 88.7 t -124.22 114.92 43.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 74.329999999999998 111.138 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -118.98 113.43 20.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 75.540000000000006 110.872 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -127.19 116.95 21.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 73.019999999999996 110.85 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.39 132.79 51.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 74.099999999999994 110.909 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -125.77 115.88 20.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 75.230000000000004 110.911 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -121.32 110.69 16.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 74.310000000000002 110.901 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 26.8 m -118.32 122.58 69.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 73.140000000000001 111.131 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 0.422 ' N ' ' CD1' ' D' ' 19' ' ' PHE . 2.0 m-30 -101.97 113.61 26.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 71.450000000000003 110.91 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 56.04 76.07 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 75.349999999999994 110.88 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.96 124.53 48.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 75.420000000000002 111.148 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.9 83.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 65.310000000000002 110.871 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 3.4 p -122.56 138.14 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 75.340000000000003 111.139 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.53 -55.26 30.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 70.030000000000001 112.527 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 73.5 m -159.79 127.16 4.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 62.539999999999999 110.864 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -102.61 110.31 22.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 73.319999999999993 110.882 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -111.08 162.54 14.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 74.530000000000001 110.905 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.01 -140.51 42.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 75.230000000000004 112.547 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.78 113.9 21.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.731 0.301 . . . . 71.030000000000001 111.106 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 mm -102.37 108.75 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 74.120000000000005 111.196 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 mt -132.68 112.99 19.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 73.140000000000001 111.129 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.92 -53.75 7.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 71.400000000000006 112.477 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.517 ' N ' ' CD1' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -154.89 152.95 30.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.827 0.346 . . . . 72.420000000000002 110.908 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 2.8 mtp -126.93 119.14 26.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 71.099999999999994 110.882 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 87.1 t -134.76 114.77 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 72.540000000000006 111.121 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.53 22.03 44.17 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.709 -0.758 . . . . 63.25 112.458 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.66 173.59 17.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 60.240000000000002 112.496 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.21 143.85 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.882 0.372 . . . . 70.120000000000005 111.132 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 34.9 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 73.439999999999998 111.162 179.89 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.846 0.355 . . . . 75.409999999999997 110.875 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.83 95.41 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 75.450000000000003 111.124 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -75.41 -20.2 59.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 71.420000000000002 110.852 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -161.47 116.77 2.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 74.200000000000003 110.886 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -110.02 107.73 17.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 74.420000000000002 110.88 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -106.0 111.96 24.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 72.420000000000002 110.882 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -118.99 100.81 7.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 70.150000000000006 110.866 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 9.1 t -148.99 173.54 13.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 72.030000000000001 110.862 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.25 -12.68 33.01 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 72.230000000000004 112.468 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.11 120.07 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 75.129999999999995 110.923 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -101.91 120.42 40.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 72.010000000000005 110.925 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 98.0 t -123.31 114.76 43.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 73.109999999999999 111.135 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -119.19 113.8 21.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 74.230000000000004 110.875 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -127.7 117.21 21.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 71.439999999999998 110.844 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.01 133.34 50.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 74.219999999999999 110.879 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -124.96 115.06 19.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 65.400000000000006 110.907 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -121.72 107.93 12.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 71.310000000000002 110.916 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 30.2 m -115.27 123.71 71.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 64.340000000000003 111.127 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' E' ' 19' ' ' PHE . 1.3 m-85 -102.12 111.06 23.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 73.329999999999998 110.878 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 13.0 m-30 57.99 75.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 74.439999999999998 110.86 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.5 125.12 49.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 74.239999999999995 111.066 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.94 83.42 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 75.329999999999998 110.858 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 3.4 p -122.48 137.34 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 74.439999999999998 111.158 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.76 -55.2 29.89 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 34.229999999999997 112.494 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 73.4 m -159.54 125.18 4.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 72.299999999999997 110.859 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -102.18 112.54 25.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 75.319999999999993 110.89 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -112.53 164.08 13.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 75.340000000000003 110.928 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.86 -141.19 43.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 73.409999999999997 112.503 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.85 114.02 21.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.712 0.291 . . . . 62.100000000000001 111.142 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 1.8 mm -101.24 108.33 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 73.129999999999995 111.133 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 mt -129.38 112.88 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 74.439999999999998 111.136 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.04 -51.29 11.29 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 61.43 112.468 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.479 ' N ' ' CD1' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -154.91 154.42 32.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 65.439999999999998 110.899 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.2 mtp -130.96 118.43 20.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 73.140000000000001 110.859 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 94.1 t -138.43 114.96 10.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 75.530000000000001 111.129 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.78 21.93 38.61 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 70.030000000000001 112.478 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.14 173.99 17.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 74.319999999999993 112.532 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -142.12 143.52 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 73.010000000000005 111.125 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 35.7 m . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 74.329999999999998 111.136 179.908 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.811 0.339 . . . . 72.019999999999996 110.863 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.59 92.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 71.329999999999998 111.128 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -76.26 -23.99 54.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 75.409999999999997 110.903 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.49 115.3 4.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 75.430000000000007 110.847 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -108.35 108.96 20.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 74.439999999999998 110.878 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -106.84 108.35 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 75.120000000000005 110.874 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -118.92 106.31 12.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 75.510000000000005 110.869 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 9.2 t -145.99 174.08 11.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 72.150000000000006 110.871 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.41 -13.52 32.73 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.716 -0.754 . . . . 60.439999999999998 112.493 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.46 119.92 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.853 0.359 . . . . 74.219999999999999 110.912 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -102.84 120.0 39.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 73.040000000000006 110.9 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 94.2 t -122.86 114.1 40.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 52.229999999999997 111.121 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -118.03 113.65 21.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 72.329999999999998 110.911 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -131.18 114.3 14.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 74.430000000000007 110.795 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.96 133.69 52.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 74.230000000000004 110.887 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -129.3 115.52 17.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 74.209999999999994 110.892 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -114.58 111.3 21.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 74.519999999999996 110.957 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 26.9 m -115.78 120.57 65.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 72.329999999999998 111.116 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -102.8 112.56 25.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 73.230000000000004 110.86 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 56.84 75.56 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 75.540000000000006 110.823 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.64 126.08 51.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 74.230000000000004 111.1 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.53 82.13 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 74.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 5.0 p -122.82 140.57 46.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 73.120000000000005 111.109 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.4 -55.81 27.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.791 -0.718 . . . . 74.439999999999998 112.455 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 75.6 m -161.73 129.43 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 72.109999999999999 110.836 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -100.39 107.35 19.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 74.299999999999997 110.882 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.69 162.15 16.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 74.319999999999993 110.878 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.83 -140.11 43.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.751 . . . . 53.329999999999998 112.478 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.22 113.69 20.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.768 0.318 . . . . 54.100000000000001 111.099 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 2.3 mm -101.62 111.82 32.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 75.310000000000002 111.153 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 13.2 mt -138.71 108.68 4.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 73.430000000000007 111.144 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.27 -52.17 10.81 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 70.099999999999994 112.467 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.574 ' N ' ' CD1' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -160.4 156.31 25.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.762 0.315 . . . . 73.349999999999994 110.913 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.8 mtp -130.38 122.65 28.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 62.329999999999998 110.897 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 94.4 t -130.49 116.12 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 71.109999999999999 111.146 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.21 19.67 52.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 71.219999999999999 112.485 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.91 173.14 15.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.747 . . . . 74.109999999999999 112.488 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 7.8 p -142.97 145.35 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 75.299999999999997 111.144 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 34.9 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 75.329999999999998 111.128 179.943 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.802 0.334 . . . . 73.010000000000005 110.9 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.96 93.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 61.229999999999997 111.094 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -73.94 -23.7 59.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 75.030000000000001 110.91 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.77 115.21 4.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 71.519999999999996 110.866 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -107.54 109.11 20.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 74.439999999999998 110.88 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -105.39 108.85 20.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 72.540000000000006 110.868 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -117.9 105.01 11.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 73.439999999999998 110.893 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 9.0 t -145.92 173.89 11.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 72.329999999999998 110.861 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.08 -13.2 32.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 51.420000000000002 112.488 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.6 119.28 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 75.430000000000007 110.895 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -101.47 119.62 39.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 71.25 110.921 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 90.5 t -122.7 114.32 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 73.049999999999997 111.142 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -118.24 113.84 22.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 74.420000000000002 110.878 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -130.06 115.89 17.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 73.319999999999993 110.838 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.5 132.79 51.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 71.239999999999995 110.957 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -127.64 116.27 20.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 75.400000000000006 110.93 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -117.67 111.52 19.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 73.129999999999995 110.927 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 33.8 m -117.7 121.47 67.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 73.109999999999999 111.132 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 -102.13 114.17 28.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 70.409999999999997 110.839 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 11.1 m-30 57.16 75.49 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 71.239999999999995 110.874 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.88 126.21 50.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 72.219999999999999 111.118 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.49 82.11 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 64.129999999999995 110.854 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 p -123.1 138.63 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 74.430000000000007 111.138 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.99 -54.9 33.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.748 . . . . 62.119999999999997 112.491 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 75.4 m -161.63 128.71 3.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.909 0.385 . . . . 73.140000000000001 110.845 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -100.78 106.96 18.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 72.400000000000006 110.901 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -111.34 161.14 16.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 72.439999999999998 110.925 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.24 -140.78 42.01 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.757 -0.735 . . . . 73.439999999999998 112.517 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.28 114.02 21.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.731 0.301 . . . . 64.540000000000006 111.082 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 2.3 mm -102.88 112.56 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 62.420000000000002 111.105 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 11.1 mt -136.43 110.22 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 74.120000000000005 111.134 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.04 -53.35 9.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.684 -0.77 . . . . 63.520000000000003 112.48 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.565 ' N ' ' CD1' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -158.05 154.89 28.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.785 0.326 . . . . 75.030000000000001 110.902 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -127.5 120.95 29.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 75.310000000000002 110.894 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 92.3 t -132.41 115.6 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 71.409999999999997 111.175 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.16 20.47 43.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 73.510000000000005 112.551 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.73 172.77 15.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 63.100000000000001 112.505 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.63 144.5 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.362 . . . . 74.230000000000004 111.119 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 35.3 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 72.349999999999994 111.121 179.924 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.814 0.34 . . . . 73.109999999999999 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.45 94.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 73.400000000000006 111.081 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -75.87 -22.99 55.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 53.439999999999998 110.839 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.28 115.71 5.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 72.239999999999995 110.928 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -107.53 109.14 20.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 75.329999999999998 110.903 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -105.0 109.13 21.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 74.519999999999996 110.867 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -117.33 103.88 10.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 75.409999999999997 110.848 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 9.0 t -145.62 173.77 11.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 73.5 110.868 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.58 -12.92 31.57 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 62.5 112.501 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.44 119.88 0.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 72.129999999999995 110.918 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -101.29 119.99 39.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 74.329999999999998 110.898 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 92.2 t -123.51 114.33 41.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 64.150000000000006 111.131 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -119.12 113.45 20.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 74.019999999999996 110.879 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -128.9 116.11 18.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 74.129999999999995 110.845 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.42 132.57 51.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 74.230000000000004 110.923 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -126.3 116.6 21.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 74.129999999999995 110.937 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -119.56 111.48 18.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 74.439999999999998 110.932 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 33.0 m -118.76 121.82 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 71.400000000000006 111.132 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -101.76 113.4 26.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 75.019999999999996 110.867 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 11.3 m-30 56.56 74.85 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 70.349999999999994 110.893 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.99 125.89 49.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 70.150000000000006 111.131 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.92 82.34 0.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 72.439999999999998 110.92 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 p -122.67 138.56 52.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 74.019999999999996 111.15 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.2 -55.58 29.62 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.749 -0.739 . . . . 71.409999999999997 112.482 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 74.5 m -161.8 127.29 3.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.915 0.388 . . . . 65.530000000000001 110.867 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -100.49 107.56 19.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 75.329999999999998 110.856 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -111.31 161.14 16.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 74.430000000000007 110.913 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.87 -141.41 41.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.723 -0.751 . . . . 71.209999999999994 112.539 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.87 113.97 20.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.735 0.302 . . . . 73.019999999999996 111.099 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 2.4 mm -103.46 113.21 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 73.010000000000005 111.136 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 9.5 mt -135.21 110.96 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 73.340000000000003 111.107 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.25 -54.06 8.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 74.430000000000007 112.498 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . 0.557 ' CD1' ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -156.34 153.89 29.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.783 0.325 . . . . 74.430000000000007 110.939 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -127.05 119.5 26.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 75.239999999999995 110.852 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 93.4 t -133.27 115.6 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 73.310000000000002 111.15 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.35 21.36 40.34 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 72.099999999999994 112.499 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.52 173.3 16.16 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 70.299999999999997 112.452 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -142.91 144.11 24.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.852 0.358 . . . . 73.129999999999995 111.14 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 72.140000000000001 111.135 179.917 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.803 0.335 . . . . 72.299999999999997 110.867 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.39 93.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 70.030000000000001 111.134 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -77.15 -20.15 55.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 74.099999999999994 110.949 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -150.93 116.31 5.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 73.230000000000004 110.938 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -107.19 108.91 20.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 73.439999999999998 110.872 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -105.68 108.98 20.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 74.420000000000002 110.891 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -117.25 104.5 11.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 71.400000000000006 110.893 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 8.9 t -146.35 173.51 12.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 71.319999999999993 110.885 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.48 -13.36 30.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 72.299999999999997 112.499 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -172.48 119.79 0.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 75.109999999999999 110.926 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -100.58 119.98 39.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 72.409999999999997 110.869 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 90.3 t -123.44 114.21 40.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 73.540000000000006 111.142 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -119.1 113.51 21.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 74.219999999999999 110.895 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -128.88 116.12 18.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 75.219999999999999 110.831 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.74 132.75 51.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 74.439999999999998 110.949 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -125.08 116.4 22.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.540000000000006 110.914 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -120.78 110.83 16.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.276 -0.42 . . . . 72.349999999999994 110.937 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 28.8 m -118.4 122.9 70.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 74.299999999999997 111.167 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . 0.415 ' N ' ' CD1' ' I' ' 19' ' ' PHE . 2.2 m-30 -101.88 112.38 24.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 74.409999999999997 110.879 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 12.0 m-30 56.45 74.07 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 74.400000000000006 110.917 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.02 126.1 50.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 72.219999999999999 111.084 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.37 81.2 0.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 74.010000000000005 110.904 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 p -121.85 138.21 52.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 73.450000000000003 111.079 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.55 -55.65 29.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 73.239999999999995 112.457 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 74.4 m -161.82 125.47 3.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.371 . . . . 65.129999999999995 110.828 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -100.65 107.24 18.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 72.310000000000002 110.89 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -111.87 161.54 16.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 74.140000000000001 110.883 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.41 -140.83 37.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.796 -0.716 . . . . 63.240000000000002 112.49 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.08 113.68 20.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.747 0.308 . . . . 62.399999999999999 111.126 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 2.3 mm -104.89 113.22 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 74.329999999999998 111.128 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 8.2 mt -133.99 112.3 16.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 72.25 111.105 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.39 -55.16 8.05 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 74.420000000000002 112.489 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . 0.52 ' N ' ' CD1' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -155.36 152.97 29.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 74.25 110.936 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.8 mtp -127.44 118.91 24.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 72.010000000000005 110.917 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 88.2 t -134.24 114.74 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 73.340000000000003 111.147 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.25 22.27 43.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 71.219999999999999 112.524 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.24 173.84 16.89 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.741 . . . . 52.130000000000003 112.455 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -142.51 143.89 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 72.120000000000005 111.125 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 65.310000000000002 111.165 179.918 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.834 0.349 . . . . 74.319999999999993 110.877 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.44 94.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 70.129999999999995 111.125 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -73.34 -21.36 60.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 73.25 110.848 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.97 116.68 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 73.049999999999997 110.867 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -107.23 108.93 20.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 73.129999999999995 110.903 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -104.78 110.2 22.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 74.219999999999999 110.898 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -117.17 103.3 10.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 72.329999999999998 110.873 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 8.8 t -146.39 172.4 13.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 75.120000000000005 110.901 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.06 -13.4 33.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 54.509999999999998 112.494 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.35 119.8 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.795 0.331 . . . . 74.310000000000002 110.972 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -99.8 120.01 39.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 75.530000000000001 110.887 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 97.4 t -123.96 114.49 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.230000000000004 111.059 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -119.31 114.33 22.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 73.129999999999995 110.851 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -128.31 115.65 18.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 74.120000000000005 110.813 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.22 133.26 50.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 74.239999999999995 110.862 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -125.34 115.75 20.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 75.010000000000005 110.873 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -121.59 107.8 12.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 75.310000000000002 110.942 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 28.8 m -115.12 123.96 71.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 72.310000000000002 111.161 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . 0.432 ' CD1' ' N ' ' J' ' 19' ' ' PHE . 1.3 m-85 -102.21 110.33 22.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 75.430000000000007 110.909 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 13.2 m-30 57.59 74.55 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 65.430000000000007 110.89 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.85 125.89 50.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 74.409999999999997 111.106 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.01 81.8 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 73.209999999999994 110.862 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 p -121.09 138.08 52.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 75.319999999999993 111.101 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.62 -56.06 27.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.795 -0.717 . . . . 71.099999999999994 112.44 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 74.8 m -162.0 121.63 2.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.896 0.379 . . . . 75.140000000000001 110.883 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -100.98 108.42 20.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 74.230000000000004 110.926 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -112.37 163.88 13.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 74.540000000000006 110.921 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.72 -141.32 38.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 74.040000000000006 112.544 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.24 113.83 20.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 75.120000000000005 111.081 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 2.1 mm -104.53 113.76 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 74.299999999999997 111.136 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 6.9 mt -130.71 111.61 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 73.0 111.124 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.35 -53.14 12.37 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 64.219999999999999 112.448 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . 0.483 ' N ' ' CD1' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -154.8 153.62 31.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.779 0.323 . . . . 73.319999999999993 110.927 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 3.1 mtp -131.24 118.25 20.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 73.340000000000003 110.88 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 84.1 t -138.25 114.73 10.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 73.439999999999998 111.104 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.33 21.72 41.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.807 -0.711 . . . . 72.420000000000002 112.444 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.97 174.18 18.13 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 74.0 112.514 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -141.61 142.93 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 75.230000000000004 111.14 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 35.7 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 70.040000000000006 111.157 179.898 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.822 0.344 . . . . 72.239999999999995 110.875 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.62 98.34 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 65.329999999999998 111.107 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.8 mp0 -52.29 -29.69 24.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 71.450000000000003 110.903 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -150.58 112.66 4.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 75.430000000000007 110.939 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.9 108.41 6.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 74.450000000000003 110.897 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -114.69 129.22 56.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 75.109999999999999 110.846 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -133.42 101.7 5.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 64.439999999999998 110.841 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 90.3 p -152.87 128.34 9.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 73.450000000000003 110.8 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.03 -27.47 10.48 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.69 -0.766 . . . . 64.120000000000005 112.524 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.47 114.91 5.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.872 0.368 . . . . 71.209999999999994 110.881 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -114.25 119.67 37.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 71.239999999999995 110.835 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.7 t -136.16 119.54 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 73.5 111.103 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -121.54 112.38 18.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 74.230000000000004 110.858 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -119.19 123.94 45.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 74.329999999999998 110.871 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -126.17 135.92 52.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 75.219999999999999 110.925 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -132.32 121.83 24.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 74.329999999999998 110.921 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -113.52 107.01 15.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 74.209999999999994 110.882 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.6 t -105.81 109.54 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 74.200000000000003 111.127 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -102.26 111.45 23.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 74.310000000000002 110.912 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 54.29 90.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 75.450000000000003 110.924 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.46 147.77 43.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 52.200000000000003 111.097 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 53.11 82.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 73.439999999999998 110.867 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.8 p -132.14 128.3 58.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 64.430000000000007 111.12 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.33 -47.0 63.12 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 70.230000000000004 112.467 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.2 m -164.29 135.79 4.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 75.310000000000002 110.846 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -107.18 103.31 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 73.099999999999994 110.886 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 tptp -114.06 154.26 28.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 72.540000000000006 110.92 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.82 -139.79 26.85 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.743 . . . . 72.510000000000005 112.521 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.77 114.16 24.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.768 0.318 . . . . 74.409999999999997 111.122 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -112.83 109.01 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 72.510000000000005 111.132 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.0 mt -131.77 108.9 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 72.140000000000001 111.124 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.31 -49.23 20.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 71.409999999999997 112.504 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.577 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -158.36 153.72 25.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.323 . . . . 74.450000000000003 110.91 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.01 121.93 34.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 71.420000000000002 110.867 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.9 t -125.45 112.04 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 72.040000000000006 111.144 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.92 15.51 49.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 61.140000000000001 112.453 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.01 154.43 23.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 74.409999999999997 112.48 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.8 m -128.57 -176.49 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 64.109999999999999 111.124 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 75.329999999999998 111.15 179.888 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.814 0.34 . . . . 75.129999999999995 110.921 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.25 98.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 73.409999999999997 111.056 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 39.9 mp0 -53.06 -28.25 23.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 73.219999999999999 110.862 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -151.72 112.16 4.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 74.319999999999993 110.86 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.4 108.55 8.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 73.430000000000007 110.885 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -115.01 129.05 56.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 74.109999999999999 110.877 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -133.8 102.31 5.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 74.510000000000005 110.884 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' C' ' 8' ' ' SER . 88.8 p -154.49 127.67 8.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 75.299999999999997 110.847 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.85 -26.3 10.83 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 71.310000000000002 112.491 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.31 112.83 5.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.826 0.346 . . . . 75.129999999999995 110.961 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -111.31 119.95 40.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 71.230000000000004 110.859 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 31.3 t -134.36 121.42 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 73.219999999999999 111.141 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -121.46 112.54 18.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 74.25 110.838 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -116.04 123.79 48.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 74.299999999999997 110.861 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -125.2 132.07 53.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 75.140000000000001 110.874 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -128.97 122.28 29.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 73.540000000000006 110.895 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -116.75 102.12 9.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 65.219999999999999 110.933 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 18.2 t -102.66 108.86 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 73.040000000000006 111.135 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -102.79 108.85 20.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 73.409999999999997 110.849 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 8.5 m-30 56.01 90.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 73.040000000000006 110.889 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.72 148.15 42.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 71.310000000000002 111.093 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 53.06 82.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 71.25 110.882 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 p -133.41 127.4 53.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 75.530000000000001 111.119 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.9 -45.05 87.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 32.229999999999997 112.511 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 34.2 m -164.07 135.54 4.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 72.409999999999997 110.867 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -107.57 103.55 12.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 75.400000000000006 110.899 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -114.08 155.66 25.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.140000000000001 110.921 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.38 -139.03 26.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 65.329999999999998 112.498 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.55 114.04 24.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.76 0.314 . . . . 72.340000000000003 111.109 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -111.3 108.21 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 72.409999999999997 111.147 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 mt -131.14 109.42 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 71.420000000000002 111.157 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.58 -49.85 20.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 72.400000000000006 112.513 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.574 ' N ' ' CD1' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -156.2 151.87 27.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 64.140000000000001 110.902 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -124.07 119.84 30.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 74.319999999999993 110.906 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 86.3 t -127.55 112.12 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 64.140000000000001 111.143 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.53 17.86 42.17 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 62.32 112.524 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.35 154.68 22.54 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.798 -0.715 . . . . 74.439999999999998 112.523 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 11.4 m -126.83 -176.45 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.886 0.374 . . . . 74.200000000000003 111.105 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 74.120000000000005 111.161 179.892 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.853 0.359 . . . . 72.409999999999997 110.901 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.32 98.67 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.140000000000001 111.088 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 37.8 mp0 -52.41 -28.32 19.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 74.140000000000001 110.922 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -151.54 112.21 4.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 64.540000000000006 110.868 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.94 108.35 8.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 75.420000000000002 110.833 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -116.04 127.36 54.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 75.200000000000003 110.892 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -131.81 102.27 5.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 73.099999999999994 110.887 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 8' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' B' ' 8' ' ' SER . 89.3 p -154.3 127.28 8.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 73.450000000000003 110.879 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.12 -25.99 11.66 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.735 -0.745 . . . . 73.239999999999995 112.489 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.37 112.9 5.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.856 0.36 . . . . 75.129999999999995 110.928 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -109.9 119.7 40.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 73.450000000000003 110.873 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 33.2 t -133.46 121.31 41.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 71.230000000000004 111.103 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -121.62 112.76 18.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 75.120000000000005 110.836 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -115.6 123.03 47.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 72.25 110.84 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -124.13 131.54 53.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 72.540000000000006 110.936 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -127.79 123.21 34.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 71.340000000000003 110.861 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -119.79 100.81 7.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 74.010000000000005 110.927 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 17.6 t -101.78 109.31 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 75.439999999999998 111.139 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 8.4 m-30 -102.77 106.77 17.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 73.329999999999998 110.886 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 56.81 90.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 74.439999999999998 110.855 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.31 148.04 42.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 73.209999999999994 111.051 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 52.8 82.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 74.420000000000002 110.835 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 p -133.39 126.33 52.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 73.209999999999994 111.101 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.19 -44.79 84.03 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.741 . . . . 73.420000000000002 112.469 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 33.8 m -164.05 135.84 4.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 71.209999999999994 110.866 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -107.51 103.85 13.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 74.510000000000005 110.887 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -114.51 155.76 25.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 74.25 110.904 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.43 -139.1 26.13 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 60.210000000000001 112.471 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.34 113.8 24.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.725 0.298 . . . . 62.229999999999997 111.144 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -110.98 107.87 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 74.400000000000006 111.157 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -130.62 109.94 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 72.129999999999995 111.087 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.49 -50.21 18.92 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 72.239999999999995 112.452 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.567 ' N ' ' CD1' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -154.88 151.95 29.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 74.230000000000004 110.884 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -124.83 118.49 26.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 75.129999999999995 110.85 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 85.8 t -129.41 111.5 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 71.540000000000006 111.142 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.18 18.59 35.54 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 73.540000000000006 112.483 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.4 154.42 22.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 71.25 112.506 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 m -129.87 -175.81 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 72.349999999999994 111.109 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 72.439999999999998 111.103 179.89 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.861 0.363 . . . . 74.549999999999997 110.891 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.65 98.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 72.140000000000001 111.067 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 38.9 mp0 -52.79 -28.26 21.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 62.539999999999999 110.898 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -150.87 112.06 4.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 74.25 110.861 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.95 108.05 9.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 74.430000000000007 110.842 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -117.11 125.52 51.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 52.329999999999998 110.84 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -129.64 102.22 6.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 64.519999999999996 110.88 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 90.2 p -154.61 127.38 8.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 74.109999999999999 110.867 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.99 -25.66 17.42 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.747 -0.739 . . . . 74.409999999999997 112.486 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.26 113.71 5.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.833 0.349 . . . . 73.420000000000002 110.961 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -109.37 120.04 41.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 73.420000000000002 110.863 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 31.8 t -132.79 121.43 44.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 74.140000000000001 111.109 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -122.1 112.49 18.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 74.340000000000003 110.868 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -115.2 124.39 51.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 72.129999999999995 110.861 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -125.16 131.28 53.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 75.439999999999998 110.914 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -126.3 122.25 34.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 75.540000000000006 110.878 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -121.49 100.72 7.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 74.209999999999994 110.937 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 21.1 t -102.23 109.7 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 74.329999999999998 111.163 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 m-30 -101.96 105.07 15.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 74.519999999999996 110.863 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 57.09 90.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 74.349999999999994 110.887 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.24 147.95 42.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 73.450000000000003 111.107 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 53.17 82.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 60.100000000000001 110.865 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 p -133.57 126.13 51.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 52.32 111.155 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.28 -44.29 84.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.677 -0.773 . . . . 72.230000000000004 112.532 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 34.7 m -164.21 135.73 4.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.374 . . . . 71.329999999999998 110.912 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -107.07 103.29 12.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 73.239999999999995 110.887 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -114.26 156.47 24.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 74.510000000000005 110.861 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.13 -138.43 25.42 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.731 -0.747 . . . . 63.340000000000003 112.52 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.13 113.96 25.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 74.219999999999999 111.092 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -110.61 107.91 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 65.25 111.145 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 mt -130.32 110.35 18.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 72.349999999999994 111.119 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.76 -51.54 17.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 72.430000000000007 112.464 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.55 ' N ' ' CD1' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -152.81 150.76 29.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.759 0.314 . . . . 75.239999999999995 110.967 -179.883 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -124.97 117.57 24.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 74.450000000000003 110.87 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 93.3 t -132.68 111.09 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 75.219999999999999 111.181 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.67 17.36 41.34 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.722 -0.752 . . . . 64.420000000000002 112.447 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.84 156.81 23.03 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 74.329999999999998 112.488 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 5.7 m -131.51 -176.01 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.375 . . . . 73.329999999999998 111.161 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 18.0 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 75.319999999999993 111.122 179.912 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.797 0.332 . . . . 74.340000000000003 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.51 98.47 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 70.019999999999996 111.063 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 39.3 mp0 -52.83 -28.24 21.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 75.349999999999994 110.869 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -150.46 113.84 4.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 72.129999999999995 110.888 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.05 107.55 9.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 73.439999999999998 110.841 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -118.16 123.83 46.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 70.420000000000002 110.889 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -127.35 101.34 6.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 63.409999999999997 110.882 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 90.3 p -155.51 128.1 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 73.230000000000004 110.895 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.78 -23.45 37.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 74.409999999999997 112.485 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.87 113.24 5.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 74.450000000000003 110.884 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -109.41 120.22 41.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 74.109999999999999 110.874 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 34.5 t -132.54 122.52 47.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 75.030000000000001 111.131 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -122.32 112.82 18.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 71.340000000000003 110.856 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -113.33 127.7 56.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 63.340000000000003 110.845 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -128.56 132.68 48.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 75.140000000000001 110.923 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -127.62 120.44 28.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 74.040000000000006 110.905 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -122.69 100.97 7.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 75.540000000000006 110.887 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 17.2 t -100.93 111.52 30.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 73.209999999999994 111.099 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 8.9 m-30 -102.13 100.71 10.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 75.129999999999995 110.889 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 m-30 57.66 90.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 71.420000000000002 110.865 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.16 149.97 40.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 53.340000000000003 111.105 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 51.57 82.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 75.549999999999997 110.892 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 7.0 p -132.92 124.92 51.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 75.349999999999994 111.166 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.22 -44.29 84.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 64.0 112.449 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 30.6 m -163.89 134.48 4.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 65.329999999999998 110.819 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -105.58 102.95 12.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.310000000000002 110.897 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -114.2 157.57 22.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 74.129999999999995 110.889 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.52 -138.49 26.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 74.129999999999995 112.473 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.51 113.76 25.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.765 0.317 . . . . 75.209999999999994 111.104 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -109.05 107.31 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 71.409999999999997 111.188 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 mt -127.59 109.87 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 74.310000000000002 111.119 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.76 -49.33 28.37 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 71.109999999999999 112.519 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.512 ' N ' ' CD1' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -153.11 151.0 29.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.841 0.353 . . . . 75.409999999999997 110.903 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -128.94 117.7 21.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 74.319999999999993 110.936 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 94.4 t -135.74 110.5 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 75.540000000000006 111.13 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.17 18.16 33.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.674 -0.774 . . . . 70.299999999999997 112.52 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.14 159.75 24.44 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.752 -0.737 . . . . 74.450000000000003 112.533 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 12.4 m -130.46 -175.66 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 70.409999999999997 111.113 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 75.219999999999999 111.105 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.781 0.324 . . . . 75.329999999999998 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.2 97.76 0.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 70.5 111.112 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 39.7 mp0 -52.51 -29.89 27.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 72.439999999999998 110.865 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -151.73 113.2 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 74.510000000000005 110.881 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.57 108.52 6.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 74.049999999999997 110.907 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -114.47 128.68 56.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 72.230000000000004 110.814 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -132.86 101.79 5.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 74.530000000000001 110.886 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 8' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' G' ' 8' ' ' SER . 91.0 p -152.68 128.15 9.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 72.099999999999994 110.862 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.5 -27.26 11.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 62.100000000000001 112.517 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.29 114.83 5.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.877 0.37 . . . . 62.439999999999998 110.907 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -113.66 119.65 38.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 72.450000000000003 110.921 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 31.0 t -133.73 120.7 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 71.450000000000003 111.099 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -121.2 112.62 18.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 73.120000000000005 110.87 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -121.15 122.09 39.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 72.340000000000003 110.887 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -125.85 134.54 51.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.219999999999999 110.947 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -131.62 122.38 25.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 75.299999999999997 110.898 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -115.17 106.3 13.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 75.140000000000001 110.905 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 19.0 t -105.26 109.89 29.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 74.409999999999997 111.103 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -102.67 110.92 23.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 74.209999999999994 110.839 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 54.89 90.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 75.25 110.938 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.51 147.84 43.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 75.400000000000006 111.094 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 53.12 82.45 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 71.120000000000005 110.863 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 7.0 p -132.57 127.69 56.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 70.209999999999994 111.141 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.93 -46.94 67.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.671 -0.776 . . . . 74.439999999999998 112.546 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 34.0 m -164.0 134.7 4.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 74.439999999999998 110.872 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -104.82 104.01 13.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 75.430000000000007 110.842 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 tptp -113.25 155.0 25.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 73.230000000000004 110.935 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.7 -140.4 29.04 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.75 . . . . 71.239999999999995 112.458 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.91 113.97 24.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.324 . . . . 72.109999999999999 111.067 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -110.8 109.26 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 73.450000000000003 111.137 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mt -132.31 108.58 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 74.239999999999995 111.122 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.89 -49.8 16.54 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.688 -0.767 . . . . 54.140000000000001 112.468 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.577 ' N ' ' CD1' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -158.51 153.57 25.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.798 0.332 . . . . 72.120000000000005 110.965 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -125.74 121.27 32.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 73.319999999999993 110.839 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 87.8 t -124.53 111.74 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 75.340000000000003 111.076 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.16 15.9 46.22 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.729 -0.748 . . . . 75.5 112.48 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.87 153.45 22.21 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.79 -0.719 . . . . 70.099999999999994 112.489 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 15.5 m -128.87 -174.58 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.836 0.35 . . . . 73.200000000000003 111.108 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 18.5 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 72.200000000000003 111.142 179.918 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.79 0.329 . . . . 74.010000000000005 110.852 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.37 97.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 74.239999999999995 111.106 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 39.5 mp0 -52.56 -30.19 29.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 71.140000000000001 110.846 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -152.15 112.96 4.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.510000000000005 110.886 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.45 108.7 8.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 74.340000000000003 110.86 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -114.48 128.32 56.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 74.409999999999997 110.851 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -132.91 102.53 5.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 63.409999999999997 110.855 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 8' ' ' SER . . . . . 0.417 ' O ' ' HA ' ' H' ' 8' ' ' SER . 89.8 p -154.68 127.37 8.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 63.240000000000002 110.861 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.76 -26.63 11.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 73.530000000000001 112.481 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.09 112.86 5.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.813 0.339 . . . . 74.040000000000006 110.959 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -110.71 119.62 39.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 75.299999999999997 110.894 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 31.6 t -133.58 121.2 40.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 74.150000000000006 111.101 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -121.43 113.17 19.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 75.010000000000005 110.868 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -116.66 123.01 46.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 72.409999999999997 110.904 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -124.64 131.87 53.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 75.329999999999998 110.942 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -129.48 122.75 29.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 75.239999999999995 110.911 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -117.67 101.87 8.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 72.519999999999996 110.896 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 18.0 t -102.16 108.84 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 73.010000000000005 111.144 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 9.7 m-30 -102.74 108.52 19.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 73.510000000000005 110.939 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 56.5 90.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 74.299999999999997 110.886 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.29 148.65 42.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 73.340000000000003 111.063 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 53.01 82.81 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 75.430000000000007 110.831 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 p -133.61 126.85 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 71.230000000000004 111.178 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.73 -44.76 91.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 62.219999999999999 112.492 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 34.9 m -163.18 134.94 5.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.372 . . . . 75.219999999999999 110.868 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -106.52 103.46 12.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 74.140000000000001 110.909 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 tptp -113.46 156.85 22.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 75.310000000000002 110.887 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.24 -140.05 29.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.759 . . . . 61.539999999999999 112.463 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.43 113.85 24.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 74.129999999999995 111.083 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -109.41 108.07 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 73.420000000000002 111.123 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 mt -131.0 108.94 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 75.209999999999994 111.151 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.42 -49.99 19.03 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 65.219999999999999 112.455 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.57 ' N ' ' CD1' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -156.69 152.44 27.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.784 0.326 . . . . 75.329999999999998 110.93 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -124.39 119.4 29.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 75.310000000000002 110.846 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 86.5 t -126.51 111.72 27.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 74.239999999999995 111.105 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.44 18.36 36.41 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.685 -0.769 . . . . 54.109999999999999 112.492 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.33 153.5 21.58 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 72.409999999999997 112.479 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 11.1 m -127.18 -174.74 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 74.409999999999997 111.09 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 17.9 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 75.230000000000004 111.143 179.943 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.82 0.343 . . . . 71.430000000000007 110.868 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.54 98.14 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 73.239999999999995 111.083 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 39.8 mp0 -52.47 -29.55 25.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 75.209999999999994 110.923 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -151.84 112.73 4.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 75.140000000000001 110.828 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.13 108.44 8.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 74.129999999999995 110.852 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -115.76 126.9 54.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 73.400000000000006 110.857 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -131.35 102.63 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 74.150000000000006 110.849 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 8' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' G' ' 8' ' ' SER . 90.4 p -154.45 127.32 8.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 61.310000000000002 110.866 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.91 -26.42 11.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 74.519999999999996 112.478 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.34 112.57 4.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.825 0.345 . . . . 71.030000000000001 110.94 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -109.09 119.83 40.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 72.340000000000003 110.922 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 32.0 t -133.51 121.38 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 73.340000000000003 111.157 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -121.63 113.17 19.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 73.040000000000006 110.867 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -115.98 123.03 46.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 74.25 110.911 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -124.37 131.48 53.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 75.109999999999999 110.927 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -127.96 122.55 32.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 75.219999999999999 110.907 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -119.52 100.65 7.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 74.239999999999995 110.877 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 18.5 t -101.57 109.19 25.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 72.010000000000005 111.144 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 8.4 m-30 -102.5 106.57 17.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 74.230000000000004 110.889 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 8.5 m-30 57.24 90.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 74.329999999999998 110.861 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.54 148.24 42.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 63.5 111.096 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 53.05 82.7 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 72.239999999999995 110.839 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 6.4 p -133.53 126.0 51.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 71.329999999999998 111.134 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.92 -44.71 87.61 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 73.120000000000005 112.479 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 34.0 m -163.16 135.04 5.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.944 0.402 . . . . 63.409999999999997 110.829 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -106.17 103.21 12.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 73.109999999999999 110.92 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 tptp -113.63 156.93 22.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 74.209999999999994 110.901 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.28 -139.46 28.06 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.696 -0.764 . . . . 63.149999999999999 112.521 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.76 113.8 24.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.765 0.317 . . . . 74.329999999999998 111.061 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -109.34 107.9 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 72.420000000000002 111.18 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -130.93 109.64 16.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 72.349999999999994 111.132 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.58 -50.59 18.68 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 73.140000000000001 112.46 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . 0.566 ' N ' ' CD1' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -154.69 151.78 29.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 71.439999999999998 110.924 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -124.36 118.03 25.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 75.409999999999997 110.86 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 86.7 t -129.61 111.33 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 73.430000000000007 111.115 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.05 18.11 39.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.826 -0.702 . . . . 75.540000000000006 112.457 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.74 153.98 21.94 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 51.329999999999998 112.475 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . 0.413 HG22 HG13 ' I' ' 39' ' ' VAL . 5.3 m -130.49 -174.53 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 74.010000000000005 111.113 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 74.439999999999998 111.137 179.912 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.869 0.366 . . . . 74.150000000000006 110.866 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.4 98.22 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 64.519999999999996 111.089 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 40.4 mp0 -52.34 -29.93 26.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 74.239999999999995 110.854 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -150.84 112.68 4.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 73.420000000000002 110.899 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.44 108.52 9.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.319999999999993 110.882 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -117.0 125.12 50.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 73.120000000000005 110.834 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -129.37 102.61 6.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 72.420000000000002 110.847 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 8' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' H' ' 8' ' ' SER . 89.0 p -154.91 127.19 7.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 73.340000000000003 110.853 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.97 -25.7 17.35 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.749 -0.739 . . . . 63.450000000000003 112.486 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.08 113.76 5.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.873 0.368 . . . . 73.420000000000002 110.881 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -109.24 119.84 40.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 75.319999999999993 110.885 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 32.1 t -133.39 120.86 40.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 74.120000000000005 111.105 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -121.9 113.15 19.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 73.340000000000003 110.875 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -115.27 124.06 50.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 73.25 110.858 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -124.95 131.41 53.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 72.420000000000002 110.929 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -126.53 122.43 35.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 71.409999999999997 110.875 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -121.56 100.61 7.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 73.5 110.889 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 20.9 t -102.29 109.86 27.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 73.230000000000004 111.113 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 m-30 -102.06 104.96 15.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 75.420000000000002 110.878 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 8.5 m-30 57.34 90.56 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 75.409999999999997 110.881 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.74 148.84 42.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 73.200000000000003 111.112 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 52.78 82.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 73.409999999999997 110.856 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 p -133.41 125.87 51.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 75.319999999999993 111.166 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.98 -44.27 87.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 51.439999999999998 112.504 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 34.6 m -163.16 135.3 5.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 71.230000000000004 110.872 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -106.17 102.88 12.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 65.430000000000007 110.91 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 tptp -113.94 157.17 22.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 73.430000000000007 110.867 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.47 -139.59 28.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.707 -0.759 . . . . 72.519999999999996 112.512 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.78 113.65 24.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.75 0.309 . . . . 74.409999999999997 111.082 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -109.13 107.97 24.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 64.140000000000001 111.157 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 mt -130.52 110.09 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 75.310000000000002 111.148 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.66 -51.9 16.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.761 . . . . 72.329999999999998 112.491 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . 0.552 ' N ' ' CD1' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -152.86 150.53 29.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.781 0.324 . . . . 72.019999999999996 110.937 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -124.55 117.74 25.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 73.209999999999994 110.891 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 92.5 t -132.02 111.14 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 72.040000000000006 111.103 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.71 17.6 35.23 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.75 . . . . 71.109999999999999 112.443 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.0 155.72 22.16 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 42.350000000000001 112.467 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . 0.413 HG13 HG22 ' H' ' 39' ' ' VAL . 5.3 m -132.35 -174.13 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 75.5 111.129 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 18.5 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 73.420000000000002 111.069 179.943 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.786 0.327 . . . . 75.349999999999994 110.846 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.96 98.12 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 74.450000000000003 111.05 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 39.4 mp0 -52.0 -29.66 21.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 75.540000000000006 110.916 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -150.37 114.31 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 75.409999999999997 110.867 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.62 107.96 9.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 75.439999999999998 110.88 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -117.59 123.81 47.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 74.219999999999999 110.86 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -127.55 101.6 6.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 73.129999999999995 110.839 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 87.7 p -155.8 127.99 7.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 54.439999999999998 110.812 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.48 -23.81 36.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 73.420000000000002 112.478 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.86 113.55 5.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.833 0.349 . . . . 74.230000000000004 110.945 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -108.83 119.94 41.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 73.510000000000005 110.889 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 32.1 t -133.26 120.62 40.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 64.319999999999993 111.13 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -122.54 113.24 19.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 74.0 110.842 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -114.1 127.08 55.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 62.329999999999998 110.832 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -127.45 132.77 49.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 72.140000000000001 110.946 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 tttp -126.65 122.35 34.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 72.319999999999993 110.867 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -123.78 100.7 6.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 73.310000000000002 110.954 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 17.5 t -100.59 111.67 30.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 74.439999999999998 111.1 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -102.33 100.72 10.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 74.140000000000001 110.885 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 57.87 90.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 72.219999999999999 110.894 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.35 150.2 39.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 64.519999999999996 111.101 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 51.69 82.13 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 74.409999999999997 110.904 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 6.8 p -132.95 123.97 49.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 73.310000000000002 111.122 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.29 -43.21 84.37 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 71.319999999999993 112.5 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 34.2 m -163.91 134.02 4.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 75.430000000000007 110.876 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -105.06 102.26 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 74.209999999999994 110.93 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -113.95 158.22 21.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 65.140000000000001 110.882 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.93 -140.15 29.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 71.209999999999994 112.498 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.49 113.84 24.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 73.549999999999997 111.124 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -108.25 107.77 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 75.120000000000005 111.139 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mt -128.03 109.39 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 74.109999999999999 111.115 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.81 -49.73 27.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.789 -0.72 . . . . 64.140000000000001 112.465 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . 0.517 ' N ' ' CD1' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -153.21 150.8 29.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.82 0.343 . . . . 75.239999999999995 110.928 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -128.93 117.4 20.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 72.450000000000003 110.888 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 90.5 t -134.82 110.08 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 75.209999999999994 111.143 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.37 18.31 28.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 44.009999999999998 112.521 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.88 156.68 22.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.734 . . . . 61.340000000000003 112.455 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 8.0 m -135.0 -175.26 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 74.129999999999995 111.135 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 74.099999999999994 111.143 179.909 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.835 0.35 . . . . 72.120000000000005 110.869 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.77 88.17 5.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 64.150000000000006 111.07 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -51.81 -33.25 34.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 75.319999999999993 110.907 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -168.59 124.27 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 73.400000000000006 110.867 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.0 mmm-85 -128.82 109.14 11.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 75.519999999999996 110.916 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -105.74 111.17 23.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 71.329999999999998 110.861 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -114.12 102.34 10.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 72.099999999999994 110.901 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 83.4 p -147.19 174.67 11.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 65.439999999999998 110.862 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.92 -22.65 5.58 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.7 -0.762 . . . . 50.420000000000002 112.449 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -151.29 101.95 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.841 0.353 . . . . 75.340000000000003 110.889 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.65 120.01 39.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 75.329999999999998 110.918 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.9 t -138.16 113.63 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 72.319999999999993 111.174 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -119.49 116.32 25.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 74.329999999999998 110.875 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -118.77 133.87 55.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 71.030000000000001 110.913 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.91 132.73 54.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 64.319999999999993 110.909 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -131.74 115.23 15.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 72.430000000000007 110.891 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -124.71 102.23 7.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 71.239999999999995 110.881 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -108.67 111.06 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 74.530000000000001 111.123 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -103.07 140.41 37.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 64.129999999999995 110.943 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 61.99 36.61 15.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 73.120000000000005 110.891 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.48 128.29 35.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 70.219999999999999 111.097 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.81 76.38 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 72.409999999999997 110.892 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.9 p -138.61 140.31 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 72.340000000000003 111.105 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.31 -46.21 94.21 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 72.040000000000006 112.511 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.07 147.58 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.382 . . . . 64.200000000000003 110.847 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -100.64 104.55 15.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.498 . . . . 73.329999999999998 110.914 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -114.15 158.9 20.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 75.540000000000006 110.873 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . 0.406 ' HA2' ' HB3' ' F' ' 3' ' ' GLU . . . 52.38 -136.19 35.87 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.757 -0.735 . . . . 71.120000000000005 112.485 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.59 113.05 25.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.722 0.296 . . . . 71.209999999999994 111.094 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -130.01 127.76 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 75.450000000000003 111.114 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.9 mt -133.39 119.42 34.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 73.340000000000003 111.12 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.56 -56.39 8.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 74.140000000000001 112.498 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.604 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -158.44 151.67 22.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 73.230000000000004 110.939 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.4 mtp -128.72 124.89 36.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 73.239999999999995 110.871 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.8 t -123.01 111.99 32.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 75.299999999999997 111.148 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.61 28.48 37.73 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 71.510000000000005 112.496 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.69 -163.87 26.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 62.240000000000002 112.477 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.7 p -163.94 146.0 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.88 0.371 . . . . 64.519999999999996 111.103 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 73.319999999999993 111.151 179.908 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.812 0.339 . . . . 70.310000000000002 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.24 89.55 4.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 61.420000000000002 111.09 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -51.49 -29.79 17.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 71.209999999999994 110.847 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -166.89 124.66 1.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.540000000000006 110.845 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 mmm-85 -127.18 108.76 11.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 74.150000000000006 110.848 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -106.73 109.36 21.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 73.120000000000005 110.805 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -114.32 101.59 9.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 72.450000000000003 110.866 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 83.5 p -146.31 174.43 11.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.310000000000002 110.921 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.04 -22.24 5.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 72.040000000000006 112.471 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -151.86 101.48 2.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 74.420000000000002 110.915 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.56 120.0 38.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 73.439999999999998 110.906 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 89.1 t -136.97 113.77 12.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 72.200000000000003 111.099 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -121.39 115.39 22.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 75.349999999999994 110.847 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -119.26 135.7 54.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 74.040000000000006 110.839 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.82 132.6 54.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 74.400000000000006 110.881 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -126.23 115.69 20.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 75.120000000000005 110.877 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.55 102.27 7.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 75.519999999999996 110.923 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 t -109.99 113.44 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 71.319999999999993 111.101 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -107.6 136.79 46.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 74.140000000000001 110.892 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 61.07 36.36 18.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 75.349999999999994 110.891 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.51 126.47 35.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.498 . . . . 71.230000000000004 111.08 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.47 78.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 73.230000000000004 110.899 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 p -139.59 140.19 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 75.140000000000001 111.113 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.85 -45.68 94.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 72.439999999999998 112.524 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.91 146.3 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.929 0.395 . . . . 62.229999999999997 110.826 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -100.55 105.06 16.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 74.109999999999999 110.886 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -114.61 160.0 19.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 74.430000000000007 110.899 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.76 -134.44 35.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 63.329999999999998 112.503 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.06 112.83 24.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 73.349999999999994 111.093 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -128.28 124.2 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.319999999999993 111.125 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 8.0 mt -131.74 119.27 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 73.349999999999994 111.146 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.1 -56.97 10.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.798 -0.715 . . . . 73.439999999999998 112.486 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.594 ' N ' ' CD1' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -155.38 151.16 27.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.336 . . . . 54.210000000000001 110.922 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 7.6 mtp -129.23 122.78 30.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 71.319999999999993 110.89 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 39.0 t -122.97 111.88 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 75.129999999999995 111.143 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.15 30.0 22.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 73.150000000000006 112.507 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.43 -163.84 27.33 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 62.109999999999999 112.507 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 9.0 p -163.17 145.59 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 74.540000000000006 111.133 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 27.4 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 73.109999999999999 111.111 179.918 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.845 0.355 . . . . 74.140000000000001 110.819 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.84 88.66 5.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 64.310000000000002 111.103 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -52.82 -30.52 33.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 73.349999999999994 110.922 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -167.99 123.79 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 74.109999999999999 110.882 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -126.72 108.59 11.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 73.450000000000003 110.863 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -106.31 109.2 21.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 74.019999999999996 110.862 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -114.83 101.47 9.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 73.030000000000001 110.893 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 83.4 p -145.48 174.63 10.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 73.120000000000005 110.909 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.16 -22.42 5.58 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 62.420000000000002 112.497 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -151.9 100.66 2.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 61.43 110.967 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.93 120.17 39.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 72.099999999999994 110.915 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 90.8 t -136.5 113.85 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 75.319999999999993 111.074 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -121.12 114.15 21.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 73.209999999999994 110.869 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -118.98 136.6 54.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 64.010000000000005 110.841 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.53 133.28 54.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 75.120000000000005 110.907 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -123.76 115.61 21.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 74.319999999999993 110.904 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -127.93 102.73 6.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 74.209999999999994 110.903 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 t -111.97 114.46 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 71.230000000000004 111.088 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -107.94 136.37 47.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 73.140000000000001 110.885 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 59.9 36.95 21.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 71.109999999999999 110.891 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.72 127.57 35.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 73.439999999999998 111.092 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.85 80.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 73.150000000000006 110.883 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 6.4 p -139.01 139.67 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 75.519999999999996 111.16 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.24 -46.34 91.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 65.219999999999999 112.494 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.69 146.1 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.913 0.387 . . . . 73.010000000000005 110.849 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -100.61 104.08 15.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 74.319999999999993 110.9 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -114.54 159.91 19.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 73.340000000000003 110.922 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.69 -135.55 38.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 52.140000000000001 112.427 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.71 112.53 24.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.331 . . . . 73.030000000000001 111.087 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -128.32 124.16 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 75.239999999999995 111.108 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.6 mt -130.15 118.92 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 74.239999999999995 111.104 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.65 -57.23 9.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 62.420000000000002 112.496 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.6 ' N ' ' CD1' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -153.89 149.9 27.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 65.120000000000005 110.921 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 8.2 mtp -129.14 122.52 30.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 73.5 110.825 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 42.0 t -124.38 112.28 31.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 74.530000000000001 111.115 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.09 30.18 16.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 72.549999999999997 112.489 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.74 -163.66 28.03 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.696 -0.764 . . . . 71.310000000000002 112.517 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 7.9 p -162.62 144.95 3.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.844 0.354 . . . . 75.299999999999997 111.176 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 28.0 m . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 74.120000000000005 111.108 179.931 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.796 0.331 . . . . 72.140000000000001 110.879 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.59 88.32 5.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 74.230000000000004 111.095 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -52.82 -32.01 41.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 72.409999999999997 110.877 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -168.01 123.0 0.98 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 75.010000000000005 110.91 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -126.34 108.48 11.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 72.150000000000006 110.872 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -106.31 108.8 20.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 74.420000000000002 110.866 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -114.66 101.61 9.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 74.319999999999993 110.856 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 83.5 p -144.79 174.15 11.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 64.319999999999993 110.872 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.85 -22.26 5.74 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 71.120000000000005 112.483 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -152.12 99.63 2.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.358 . . . . 72.109999999999999 110.897 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -100.19 120.23 39.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 73.140000000000001 110.895 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 89.8 t -136.99 114.29 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 70.430000000000007 111.125 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -119.99 114.66 22.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 73.140000000000001 110.82 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -118.13 136.93 53.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 71.239999999999995 110.853 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.03 133.65 51.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 72.340000000000003 110.916 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -122.75 115.47 22.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 74.439999999999998 110.944 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -130.04 101.93 6.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 74.400000000000006 110.92 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -112.17 117.04 54.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 63.520000000000003 111.118 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -108.89 136.25 48.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 73.349999999999994 110.901 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 58.55 35.76 24.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 74.030000000000001 110.872 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.44 127.78 36.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 75.129999999999995 111.074 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.49 79.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 72.319999999999993 110.852 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 p -138.82 139.6 40.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 75.340000000000003 111.118 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.82 -46.26 90.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 65.349999999999994 112.511 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.99 144.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.86 0.362 . . . . 74.420000000000002 110.89 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 -99.27 103.39 15.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 75.019999999999996 110.855 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -114.58 160.2 19.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 74.409999999999997 110.89 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.88 -135.97 38.33 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.752 -0.737 . . . . 54.509999999999998 112.463 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.36 112.87 24.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.755 0.312 . . . . 52.420000000000002 111.104 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -128.85 125.15 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 74.25 111.104 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 7.6 mt -129.42 118.96 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 73.430000000000007 111.119 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.08 -58.48 8.64 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.73 -0.748 . . . . 44.329999999999998 112.435 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.615 ' N ' ' CD1' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -152.1 147.49 26.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.866 0.365 . . . . 74.329999999999998 110.917 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 9.1 mtp -128.84 122.36 30.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 73.299999999999997 110.854 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 40.2 t -126.31 111.91 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 73.239999999999995 111.164 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.11 28.97 19.99 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 73.540000000000006 112.505 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.55 -163.83 29.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 51.219999999999999 112.506 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 9.1 p -162.17 145.06 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 72.25 111.102 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 28.8 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 71.140000000000001 111.179 179.87 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.851 0.358 . . . . 74.409999999999997 110.919 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.02 89.69 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 74.530000000000001 111.095 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -51.84 -30.54 24.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 73.420000000000002 110.881 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -166.61 125.58 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 73.239999999999995 110.87 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 7.6 mmm-85 -126.14 108.38 11.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 75.400000000000006 110.862 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -106.89 109.2 21.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 74.439999999999998 110.819 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -116.38 101.41 8.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 74.219999999999999 110.852 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 83.5 p -146.2 171.53 14.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 75.430000000000007 110.83 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.99 -21.15 6.44 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 70.200000000000003 112.488 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -151.06 98.6 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 74.120000000000005 110.958 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -100.23 120.12 39.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 75.420000000000002 110.906 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 84.0 t -137.4 114.22 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 73.25 111.107 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -119.24 113.66 21.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 70.150000000000006 110.819 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -118.1 135.68 54.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 75.299999999999997 110.789 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.84 137.91 52.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 74.319999999999993 110.908 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -123.93 114.81 20.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 75.109999999999999 110.861 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -130.54 101.44 5.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 74.150000000000006 110.931 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.89 120.86 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 72.219999999999999 111.135 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' E' ' 19' ' ' PHE . 1.7 m-85 -111.53 136.2 51.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 51.530000000000001 110.89 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 55.27 35.06 24.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 71.099999999999994 110.886 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.01 129.77 37.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 74.099999999999994 111.098 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 57.19 81.26 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 55.229999999999997 110.832 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 5.7 p -139.54 138.43 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 71.310000000000002 111.126 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.28 -45.39 88.53 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 65.219999999999999 112.519 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.92 141.68 0.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.875 0.369 . . . . 71.340000000000003 110.832 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -98.25 101.16 12.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 75.019999999999996 110.918 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -114.77 161.35 18.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 74.439999999999998 110.91 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.69 -137.53 39.16 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.693 -0.765 . . . . 75.129999999999995 112.484 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.92 113.03 25.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 63.439999999999998 111.134 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -128.75 125.3 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 64.420000000000002 111.132 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 7.6 mt -125.84 118.16 51.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 74.530000000000001 111.131 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.7 -55.6 16.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 43.310000000000002 112.443 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.553 ' N ' ' CD1' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -152.77 150.1 29.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.34 . . . . 75.040000000000006 110.931 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 10.9 mtp -132.13 120.48 22.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 72.430000000000007 110.939 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 40.6 t -129.01 110.51 20.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 71.439999999999998 111.122 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.24 31.99 20.66 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.72 -0.752 . . . . 54.240000000000002 112.519 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.59 -162.83 25.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.716 -0.754 . . . . 65.120000000000005 112.491 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 12.1 p -161.59 145.79 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 73.450000000000003 111.111 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 74.010000000000005 111.154 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.863 0.363 . . . . 73.120000000000005 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.73 88.12 4.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 71.329999999999998 111.09 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 3' ' ' GLU . . . . . 0.406 ' HB3' ' HA2' ' A' ' 29' ' ' GLY . 4.6 mm-40 -52.21 -33.53 41.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 73.239999999999995 110.905 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -168.49 123.84 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 70.349999999999994 110.866 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -128.62 109.24 11.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 72.150000000000006 110.881 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -105.09 110.8 23.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 73.340000000000003 110.859 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -112.37 102.97 11.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 70.200000000000003 110.906 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 83.2 p -146.61 174.44 11.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 61.43 110.88 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.52 -22.97 5.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 72.239999999999995 112.473 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -151.44 101.39 2.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 72.140000000000001 110.903 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -99.77 120.08 39.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.501 . . . . 74.450000000000003 110.912 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 98.7 t -138.19 113.89 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 64.019999999999996 111.139 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -119.09 116.56 26.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 74.319999999999993 110.878 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -118.71 134.64 54.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 73.019999999999996 110.838 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.07 132.44 54.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 74.329999999999998 110.905 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -132.32 115.05 15.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 75.319999999999993 110.917 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -125.22 102.21 7.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 75.409999999999997 110.932 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -108.59 111.27 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 74.239999999999995 111.081 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -103.01 140.76 36.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 75.239999999999995 110.882 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 61.57 37.02 16.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 74.409999999999997 110.902 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.48 127.78 35.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 63.32 111.158 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.03 77.28 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 74.010000000000005 110.91 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 5.8 p -139.0 140.68 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 74.299999999999997 111.134 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.74 -46.91 93.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.735 . . . . 62.399999999999999 112.489 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.19 146.2 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.384 . . . . 71.310000000000002 110.84 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -99.35 104.14 16.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 61.119999999999997 110.878 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -113.52 159.29 19.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 72.340000000000003 110.85 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.23 -138.63 31.31 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 53.32 112.497 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.49 112.81 24.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.774 0.321 . . . . 74.310000000000002 111.052 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.38 129.51 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 74.150000000000006 111.155 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 8.6 mt -134.1 119.22 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 74.439999999999998 111.158 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.66 -56.59 7.28 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.748 . . . . 71.219999999999999 112.523 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.606 ' N ' ' CD1' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -158.44 151.62 22.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.763 0.316 . . . . 74.530000000000001 110.93 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 7.6 mtp -129.09 123.66 32.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 74.349999999999994 110.91 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 25.6 t -123.22 113.04 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 73.439999999999998 111.134 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.94 28.67 40.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 72.150000000000006 112.525 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.58 -163.47 25.25 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.764 -0.732 . . . . 63.020000000000003 112.524 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 p -164.71 146.73 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 74.120000000000005 111.13 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 29.7 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 73.5 111.138 179.931 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.852 0.358 . . . . 74.519999999999996 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.96 89.36 3.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 71.439999999999998 111.091 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -50.99 -30.58 15.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 73.340000000000003 110.885 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -167.44 124.85 1.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 73.040000000000006 110.92 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 8.1 mmm-85 -127.0 108.5 10.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 75.310000000000002 110.863 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -105.97 108.95 20.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 72.239999999999995 110.823 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -113.52 101.95 9.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 54.119999999999997 110.881 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 83.4 p -146.13 174.27 11.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 74.209999999999994 110.837 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.92 -22.55 5.62 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 73.319999999999993 112.499 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -151.77 101.25 2.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.916 0.389 . . . . 74.530000000000001 110.924 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.86 119.94 38.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 73.150000000000006 110.93 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 90.7 t -136.44 113.85 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 75.439999999999998 111.127 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -120.85 114.81 22.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 65.219999999999999 110.872 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -119.18 135.82 54.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 74.329999999999998 110.874 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.83 132.56 54.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 70.019999999999996 110.92 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -126.67 115.68 19.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 74.329999999999998 110.86 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.64 102.29 7.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 74.010000000000005 110.909 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 t -109.78 113.45 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 72.109999999999999 111.096 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -107.56 136.86 46.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.899 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 60.95 36.36 18.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 73.439999999999998 110.865 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.5 126.77 35.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 73.420000000000002 111.071 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.39 78.79 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 72.420000000000002 110.922 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 p -139.24 140.25 38.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 72.310000000000002 111.152 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.37 -45.95 94.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 64.230000000000004 112.452 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.1 145.29 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.372 . . . . 64.519999999999996 110.867 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -100.18 104.12 15.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 74.030000000000001 110.888 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -113.82 160.79 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 73.140000000000001 110.911 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.45 -136.22 31.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 72.430000000000007 112.46 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.03 112.75 24.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.329 . . . . 63.520000000000003 111.094 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -127.36 125.76 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 72.340000000000003 111.156 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 9.0 mt -132.56 119.01 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 73.120000000000005 111.097 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.15 -57.18 10.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.723 -0.751 . . . . 54.340000000000003 112.482 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.598 ' N ' ' CD1' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -155.36 151.36 27.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.846 0.355 . . . . 74.439999999999998 110.907 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 7.5 mtp -129.55 122.54 29.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 75.239999999999995 110.922 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 38.4 t -123.58 112.58 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 73.209999999999994 111.168 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.1 29.3 20.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.76 . . . . 73.230000000000004 112.513 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.24 -164.04 27.54 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 64.010000000000005 112.506 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 8.5 p -163.1 145.57 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.368 . . . . 72.019999999999996 111.149 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 28.8 m . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 70.439999999999998 111.138 179.936 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.858 0.361 . . . . 72.030000000000001 110.863 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.71 89.35 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 72.349999999999994 111.114 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.55 -31.02 22.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 73.439999999999998 110.872 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -168.42 124.66 1.01 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 75.129999999999995 110.871 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -127.34 108.38 10.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 74.150000000000006 110.899 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -106.04 108.65 20.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 75.420000000000002 110.825 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -113.88 101.86 9.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 72.329999999999998 110.843 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 83.4 p -145.02 174.32 11.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 55.420000000000002 110.838 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.94 -22.23 5.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 64.150000000000006 112.504 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -152.16 100.62 2.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 72.219999999999999 110.947 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.94 120.11 39.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 74.409999999999997 110.873 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 86.7 t -136.15 114.13 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 72.439999999999998 111.097 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -120.94 114.07 21.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 65.430000000000007 110.865 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -118.84 136.18 54.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 74.439999999999998 110.839 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.07 132.98 54.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 75.310000000000002 110.903 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -123.87 115.57 21.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 72.400000000000006 110.912 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -128.23 101.59 6.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 75.120000000000005 110.94 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 1.2 t -111.09 114.59 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 75.099999999999994 111.141 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -108.22 136.32 48.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 75.109999999999999 110.906 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 59.76 36.84 22.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 72.239999999999995 110.857 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.54 127.73 35.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 73.230000000000004 111.106 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.63 80.28 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 72.400000000000006 110.889 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 6.4 p -138.65 139.68 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 74.349999999999994 111.152 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.59 -46.36 92.18 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.763 -0.732 . . . . 63.0 112.486 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.39 144.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 75.310000000000002 110.877 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 -100.26 103.22 14.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 74.430000000000007 110.917 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -113.81 160.81 18.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 75.540000000000006 110.935 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.34 -137.07 34.54 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.725 -0.75 . . . . 64.109999999999999 112.438 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.68 112.73 24.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.753 0.311 . . . . 61.310000000000002 111.113 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -128.06 125.64 64.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 74.239999999999995 111.186 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 mt -130.7 118.64 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 71.019999999999996 111.12 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.6 -57.81 9.02 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.737 -0.744 . . . . 74.299999999999997 112.468 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . 0.604 ' N ' ' CD1' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -153.58 149.89 28.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 73.310000000000002 110.913 -179.888 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 8.3 mtp -129.08 122.02 29.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 74.109999999999999 110.872 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 40.1 t -123.9 111.57 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 71.049999999999997 111.159 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.33 30.29 18.11 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.716 -0.754 . . . . 54.140000000000001 112.464 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.48 -163.74 28.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.675 -0.774 . . . . 54.030000000000001 112.484 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 8.3 p -162.43 145.35 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 75.540000000000006 111.094 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 29.4 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 73.519999999999996 111.169 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.798 0.332 . . . . 74.239999999999995 110.889 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.0 88.26 4.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 61.140000000000001 111.061 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -51.5 -31.74 24.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 73.299999999999997 110.878 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -168.3 124.19 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 75.030000000000001 110.875 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -127.42 108.11 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 74.329999999999998 110.873 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -105.98 108.59 20.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 74.430000000000007 110.85 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -114.15 101.92 9.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 72.140000000000001 110.859 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 83.7 p -144.34 173.93 11.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 74.510000000000005 110.851 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.72 -22.24 5.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.706 -0.759 . . . . 70.319999999999993 112.483 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -152.1 99.24 2.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.85 0.357 . . . . 75.010000000000005 110.908 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.72 120.28 39.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 65.109999999999999 110.867 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 86.3 t -137.19 114.29 12.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 74.340000000000003 111.107 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -119.9 114.61 22.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 61.399999999999999 110.844 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -117.81 136.81 53.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 62.509999999999998 110.903 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.8 133.37 52.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 75.099999999999994 110.904 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -122.67 115.41 22.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 75.540000000000006 110.899 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -130.34 101.02 5.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 75.109999999999999 110.896 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -111.89 117.23 54.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 74.319999999999993 111.14 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' I' ' 19' ' ' PHE . 2.0 m-85 -109.23 136.54 48.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 75.519999999999996 110.885 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 58.46 35.68 24.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 74.519999999999996 110.891 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.21 127.47 36.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 73.319999999999993 111.085 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.54 81.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 72.230000000000004 110.838 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 p -138.83 139.23 41.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 75.310000000000002 111.161 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.23 -45.72 92.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.716 -0.754 . . . . 64.209999999999994 112.443 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.4 143.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.383 . . . . 62.140000000000001 110.866 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -100.07 101.43 12.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 74.420000000000002 110.866 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -114.02 161.19 18.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 75.420000000000002 110.921 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.49 -138.07 37.45 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.729 -0.748 . . . . 74.150000000000006 112.512 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.3 112.89 24.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.733 0.302 . . . . 74.200000000000003 111.126 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -128.94 126.44 64.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 74.540000000000006 111.145 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 7.6 mt -129.71 119.06 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 72.239999999999995 111.089 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.03 -59.12 7.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 72.329999999999998 112.525 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . 0.612 ' N ' ' CD1' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -151.91 147.61 26.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.77 0.319 . . . . 75.200000000000003 110.962 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 9.1 mtp -129.05 122.05 29.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 74.329999999999998 110.917 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 39.6 t -126.13 111.37 26.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.437 . . . . 71.219999999999999 111.131 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.33 29.52 23.03 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 63.340000000000003 112.499 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.83 -163.46 28.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.73 . . . . 55.119999999999997 112.53 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 10.5 p -162.15 145.42 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.362 . . . . 74.530000000000001 111.143 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 73.25 111.129 179.898 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.819 0.342 . . . . 63.009999999999998 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.07 88.94 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 64.049999999999997 111.098 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -51.53 -32.51 28.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 64.239999999999995 110.887 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -168.03 125.12 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 64.510000000000005 110.819 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -127.88 108.5 10.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 75.25 110.854 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -106.87 108.75 20.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 74.209999999999994 110.858 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -115.03 102.07 9.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 72.030000000000001 110.916 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 83.7 p -145.32 170.76 15.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 71.109999999999999 110.888 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.12 -21.35 6.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.76 . . . . 75.120000000000005 112.51 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -151.36 97.64 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 74.019999999999996 110.918 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -99.98 119.96 39.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.506 . . . . 73.329999999999998 110.853 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 87.2 t -137.65 114.29 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 75.239999999999995 111.121 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -118.79 113.71 21.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 74.340000000000003 110.848 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -117.99 135.35 54.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 71.409999999999997 110.844 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.51 138.13 52.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 75.219999999999999 110.883 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -124.02 114.84 20.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 73.409999999999997 110.916 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -130.37 100.9 5.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 74.510000000000005 110.904 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.79 121.17 63.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 71.519999999999996 111.121 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' J' ' 19' ' ' PHE . 1.6 m-85 -111.94 136.03 51.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 73.219999999999999 110.905 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 55.57 35.23 24.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 73.209999999999994 110.89 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.02 129.99 37.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 74.310000000000002 111.072 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 57.21 81.76 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 73.340000000000003 110.842 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 5.6 p -139.03 137.63 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 71.319999999999993 111.143 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.89 -44.45 92.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.791 -0.718 . . . . 71.049999999999997 112.486 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.2 139.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 72.030000000000001 110.885 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -98.94 99.36 10.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 70.430000000000007 110.901 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -114.86 163.54 15.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 74.409999999999997 110.861 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.22 -140.02 36.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.786 -0.721 . . . . 72.319999999999993 112.435 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.73 112.81 24.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.748 0.309 . . . . 74.310000000000002 111.08 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -128.63 127.21 66.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 73.049999999999997 111.114 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 mt -126.87 117.87 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.099999999999994 111.153 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.48 -56.71 12.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 63.210000000000001 112.452 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . 0.561 ' N ' ' CD1' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -152.36 149.68 28.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.839 0.352 . . . . 74.400000000000006 110.886 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 10.6 mtp -132.55 120.37 21.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 74.430000000000007 110.839 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 35.2 t -129.35 110.38 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 74.319999999999993 111.175 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.23 31.21 26.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 65.439999999999998 112.502 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.52 -162.9 25.28 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.719 -0.753 . . . . 73.420000000000002 112.474 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 13.9 p -161.54 147.08 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 74.319999999999993 111.168 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 29.1 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 73.439999999999998 111.114 179.926 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.782 0.325 . . . . 72.150000000000006 110.866 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.24 82.89 2.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 75.519999999999996 111.116 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -53.14 -48.17 68.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 64.530000000000001 110.924 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -147.9 115.45 6.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 74.450000000000003 110.883 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -133.33 109.01 9.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 70.450000000000003 110.872 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -104.61 109.96 22.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 72.420000000000002 110.825 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -111.13 102.24 10.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 74.230000000000004 110.9 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 t -148.91 174.53 12.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 74.310000000000002 110.821 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.42 -7.4 30.27 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.702 -0.761 . . . . 74.230000000000004 112.496 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -171.54 112.1 0.33 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.807 0.337 . . . . 73.439999999999998 110.929 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -104.84 119.66 39.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 71.439999999999998 110.872 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.0 t -133.36 113.57 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 74.430000000000007 111.123 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.1 m170 -120.24 113.76 20.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 73.200000000000003 110.846 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -124.75 133.14 53.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 75.019999999999996 110.852 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.05 132.98 55.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 74.140000000000001 110.944 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -130.04 115.91 17.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 71.400000000000006 110.899 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.71 101.05 6.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 72.099999999999994 110.938 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.1 t -108.88 114.54 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 75.150000000000006 111.146 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.417 ' CE2' HD13 ' A' ' 34' ' ' LEU . 8.5 m-85 -117.75 109.87 17.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 73.329999999999998 110.869 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 60.38 78.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 72.439999999999998 110.938 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.52 118.55 32.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 74.450000000000003 111.141 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 64.09 107.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 75.239999999999995 110.892 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 92.9 t -124.38 126.19 71.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 73.420000000000002 111.12 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.22 -51.85 56.3 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 54.420000000000002 112.493 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -149.61 121.42 8.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 73.439999999999998 110.871 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -94.94 101.82 13.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 74.430000000000007 110.853 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 tptp -115.88 133.97 55.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 73.25 110.875 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.2 -143.18 28.23 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 74.019999999999996 112.505 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.11 115.28 22.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.758 0.313 . . . . 74.109999999999999 111.128 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 mm -120.56 110.54 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 73.319999999999993 111.103 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.8 mt -130.05 118.85 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 73.450000000000003 111.136 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.11 -44.39 42.4 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.776 -0.726 . . . . 72.239999999999995 112.509 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.526 ' O ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -171.95 151.81 2.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.784 0.326 . . . . 74.0 110.895 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' MET . . . . . 0.423 ' N ' ' CD2' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -114.34 119.86 38.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 75.450000000000003 110.91 179.787 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.2 p -136.31 117.76 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 71.120000000000005 111.138 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.53 15.8 47.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 52.340000000000003 112.477 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.72 -168.17 15.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.729 . . . . 73.219999999999999 112.536 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 p -168.86 130.83 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.887 0.375 . . . . 74.109999999999999 111.152 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 36.0 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 71.340000000000003 111.141 179.91 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.849 0.357 . . . . 74.409999999999997 110.88 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.72 82.51 2.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 61.039999999999999 111.131 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -52.79 -47.42 67.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 73.409999999999997 110.853 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.24 115.1 6.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 71.239999999999995 110.884 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -131.27 109.03 10.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 74.109999999999999 110.917 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -103.75 109.1 20.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 74.310000000000002 110.891 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -111.6 102.05 10.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 72.129999999999995 110.831 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 7.0 t -148.35 174.52 11.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 75.129999999999995 110.851 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.31 -8.49 30.98 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.788 -0.72 . . . . 64.430000000000007 112.489 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.39 112.35 0.27 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 74.209999999999994 110.927 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -104.32 119.65 39.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 74.340000000000003 110.894 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.2 t -130.57 113.66 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 64.129999999999995 111.148 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -120.83 113.94 20.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 71.120000000000005 110.894 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -125.89 134.15 51.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 72.209999999999994 110.846 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.88 133.03 55.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 75.519999999999996 110.921 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -125.54 117.16 22.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 73.439999999999998 110.886 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -126.63 102.06 6.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 74.420000000000002 110.935 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 89.3 t -108.63 112.95 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 64.219999999999999 111.115 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -118.25 105.97 12.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 72.230000000000004 110.858 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 60.12 80.65 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 74.209999999999994 110.89 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.67 116.92 29.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 65.109999999999999 111.092 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 64.4 108.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 64.430000000000007 110.87 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 87.8 t -125.19 125.58 69.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 75.120000000000005 111.167 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.55 -51.26 58.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 73.120000000000005 112.487 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -148.93 122.72 9.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.91 0.385 . . . . 63.439999999999998 110.845 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -94.79 100.68 12.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 75.25 110.879 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -117.94 135.76 53.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 73.230000000000004 110.859 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.05 -142.15 27.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.778 -0.725 . . . . 70.109999999999999 112.484 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.67 114.48 21.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.742 0.306 . . . . 73.209999999999994 111.131 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 mm -119.08 107.67 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 74.349999999999994 111.187 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 32.4 mt -127.9 119.7 52.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 64.340000000000003 111.107 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.52 -43.84 53.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 74.049999999999997 112.512 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.534 ' CD1' ' HB2' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -171.85 150.28 2.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.845 0.355 . . . . 74.040000000000006 110.892 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' MET . . . . . 0.405 ' N ' ' CD2' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -114.06 116.16 28.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 74.019999999999996 110.894 179.798 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 4.0 p -136.57 117.8 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 65.329999999999998 111.112 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.06 17.0 43.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 74.519999999999996 112.525 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.24 -170.03 16.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.715 -0.755 . . . . 74.140000000000001 112.491 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.8 p -169.14 131.17 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.892 0.377 . . . . 73.219999999999999 111.103 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 30.1 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 74.310000000000002 111.137 179.924 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.837 0.351 . . . . 75.129999999999995 110.855 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.01 82.06 2.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 63.539999999999999 111.088 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -53.1 -46.75 68.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 73.129999999999995 110.857 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.58 114.73 6.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 74.420000000000002 110.912 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -131.73 109.03 9.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 73.140000000000001 110.875 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -103.89 108.9 20.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 65.409999999999997 110.816 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -111.96 102.05 10.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 64.010000000000005 110.837 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 6.9 t -146.91 174.35 11.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 75.019999999999996 110.897 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.65 -8.99 31.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.718 -0.754 . . . . 63.210000000000001 112.496 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.61 112.53 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 75.439999999999998 110.895 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -104.84 119.83 39.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 75.129999999999995 110.858 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 55.4 t -129.98 113.53 26.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 70.299999999999997 111.113 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -120.46 113.39 20.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 72.120000000000005 110.846 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -125.63 134.01 52.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 62.240000000000002 110.844 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.83 133.59 54.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 73.200000000000003 110.887 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -123.51 116.63 23.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 70.420000000000002 110.941 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -126.94 101.1 6.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 64.310000000000002 110.909 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 86.9 t -108.89 112.44 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 74.140000000000001 111.139 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -116.68 106.3 13.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 73.329999999999998 110.907 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 59.82 81.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.109999999999999 110.865 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.04 115.77 28.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 73.109999999999999 111.111 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.29 108.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 64.219999999999999 110.881 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 94.3 t -125.02 125.4 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 71.109999999999999 111.11 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.73 -50.57 62.87 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.776 -0.726 . . . . 74.230000000000004 112.495 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -149.2 122.7 9.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.886 0.374 . . . . 73.420000000000002 110.867 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -94.39 100.49 12.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 64.109999999999999 110.91 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -119.23 136.76 54.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 75.510000000000005 110.869 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.32 -142.01 26.61 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.766 -0.731 . . . . 62.219999999999999 112.505 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.95 113.74 20.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.795 0.331 . . . . 74.329999999999998 111.082 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 mm -118.06 106.98 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 72.519999999999996 111.194 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 25.7 mt -127.64 119.74 52.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 74.140000000000001 111.128 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.85 -44.72 55.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 54.219999999999999 112.485 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.562 ' C ' ' CD2' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -170.76 149.17 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.853 0.358 . . . . 72.400000000000006 110.899 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.17 114.1 24.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 72.400000000000006 110.895 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 4.6 p -135.64 117.32 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 74.439999999999998 111.119 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.76 17.7 43.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 54.409999999999997 112.468 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.08 -170.57 17.06 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 61.340000000000003 112.483 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 3.4 p -169.58 131.06 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.856 0.36 . . . . 70.25 111.113 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 73.540000000000006 111.159 179.893 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.875 0.369 . . . . 74.549999999999997 110.855 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.86 81.73 2.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 75.340000000000003 111.143 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.63 -45.21 66.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 72.310000000000002 110.865 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.11 114.84 6.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 73.049999999999997 110.865 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -131.62 109.09 9.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 75.310000000000002 110.852 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -104.28 108.71 20.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 75.340000000000003 110.839 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -112.55 102.22 10.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 74.549999999999997 110.906 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t -146.24 173.66 12.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 75.340000000000003 110.848 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.81 -8.66 31.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.755 -0.735 . . . . 72.230000000000004 112.488 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.3 111.26 0.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.851 0.358 . . . . 73.439999999999998 110.951 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -104.61 119.85 39.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 74.099999999999994 110.87 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 56.3 t -130.43 113.3 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 75.430000000000007 111.134 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -120.88 113.04 19.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 74.230000000000004 110.881 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -126.36 132.82 51.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 75.439999999999998 110.876 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.95 135.0 54.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 75.349999999999994 110.927 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -122.39 117.29 25.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 72.510000000000005 110.9 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -127.99 100.71 6.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 71.519999999999996 110.913 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 87.8 t -108.59 113.58 44.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 74.439999999999998 111.117 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -115.52 106.94 14.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 74.200000000000003 110.882 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 59.69 81.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 74.010000000000005 110.852 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.11 115.45 27.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 72.510000000000005 111.08 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.42 108.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 75.299999999999997 110.867 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 92.5 t -125.28 124.43 67.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 55.340000000000003 111.105 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.38 -50.35 63.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.694 -0.765 . . . . 63.130000000000003 112.528 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -149.71 123.12 9.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 73.450000000000003 110.875 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -93.67 100.0 12.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 65.420000000000002 110.91 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -120.1 138.2 53.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 74.450000000000003 110.939 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.62 -141.31 25.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.747 . . . . 54.240000000000002 112.469 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.79 113.34 20.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.753 0.311 . . . . 63.119999999999997 111.117 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 4.9 mm -117.19 107.62 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 74.540000000000006 111.148 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 25.6 mt -127.84 118.17 48.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 73.099999999999994 111.152 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.09 -45.29 51.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.74 . . . . 73.329999999999998 112.488 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.581 ' CD2' ' C ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -170.83 146.26 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 75.140000000000001 110.921 -179.846 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.36 113.83 23.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 73.409999999999997 110.873 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 3.4 p -135.24 115.64 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 75.420000000000002 111.161 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.61 18.15 43.84 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.784 -0.722 . . . . 72.310000000000002 112.504 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.33 -169.54 18.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.788 -0.72 . . . . 75.409999999999997 112.543 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 3.4 p -168.87 131.03 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 75.549999999999997 111.121 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 32.9 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 72.349999999999994 111.155 179.906 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.836 0.35 . . . . 73.540000000000006 110.842 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.16 82.67 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 62.039999999999999 111.075 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -51.67 -45.75 63.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 73.310000000000002 110.861 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -146.21 115.75 7.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 74.400000000000006 110.871 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -128.95 109.1 10.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 74.409999999999997 110.876 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -103.83 108.74 20.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 72.450000000000003 110.887 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -113.03 102.18 10.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 72.540000000000006 110.839 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 7.0 t -147.32 171.13 15.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 63.299999999999997 110.867 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.09 -8.19 34.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 75.400000000000006 112.517 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -171.85 109.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 75.340000000000003 110.932 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -105.46 120.13 40.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 74.239999999999995 110.843 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 55.4 t -130.16 113.64 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 74.310000000000002 111.137 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -120.45 112.86 19.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 72.239999999999995 110.816 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -127.1 134.09 50.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 73.319999999999993 110.833 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.42 139.0 54.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 73.400000000000006 110.931 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -122.39 115.72 22.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 72.409999999999997 110.902 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -127.61 101.87 6.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 70.540000000000006 110.921 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 86.3 t -108.3 114.43 46.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 63.020000000000003 111.117 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -114.36 105.63 13.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.319999999999993 110.882 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 59.02 81.87 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 75.409999999999997 110.856 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.07 113.95 25.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 62.130000000000003 111.101 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 63.93 108.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 75.040000000000006 110.887 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 92.5 t -124.65 122.33 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 70.120000000000005 111.096 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.87 -49.63 66.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 74.120000000000005 112.502 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -151.8 121.55 7.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 71.140000000000001 110.85 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -91.37 99.7 12.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 72.239999999999995 110.902 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -121.96 138.98 54.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 72.430000000000007 110.904 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.91 -139.18 21.07 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.745 -0.741 . . . . 74.349999999999994 112.445 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.34 114.44 21.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 72.340000000000003 111.093 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 10.7 mm -114.73 107.76 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 74.040000000000006 111.127 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 31.7 mt -125.58 114.94 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 75.400000000000006 111.102 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.52 -40.21 77.14 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 55.219999999999999 112.515 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.552 ' CD2' ' C ' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -171.47 149.47 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.825 0.345 . . . . 74.409999999999997 110.92 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.41 115.08 19.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 71.430000000000007 110.888 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 4.4 p -141.26 114.39 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 75.340000000000003 111.161 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.74 18.91 33.72 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 71.420000000000002 112.506 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.98 -168.71 18.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 74.409999999999997 112.475 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 3.2 p -169.06 131.95 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.879 0.371 . . . . 73.019999999999996 111.097 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 72.310000000000002 111.093 179.933 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.825 0.345 . . . . 71.549999999999997 110.866 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.58 81.62 2.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 74.329999999999998 111.065 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -52.74 -47.79 67.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 74.209999999999994 110.859 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.99 115.53 6.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 74.239999999999995 110.838 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -133.02 109.26 9.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 75.239999999999995 110.876 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -104.44 110.03 22.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 75.430000000000007 110.871 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -110.71 102.48 11.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 74.439999999999998 110.809 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 6.6 t -148.76 174.14 12.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 71.219999999999999 110.868 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.38 -7.66 29.99 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 62.310000000000002 112.469 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -171.56 112.45 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.815 0.34 . . . . 74.219999999999999 110.912 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -104.05 119.53 39.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 75.219999999999999 110.917 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 58.6 t -132.42 113.39 21.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 75.530000000000001 111.105 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 42.7 m170 -120.88 114.63 21.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 72.530000000000001 110.837 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -125.95 132.98 51.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 75.299999999999997 110.855 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.97 132.91 55.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 71.299999999999997 110.891 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -130.46 115.94 17.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 74.019999999999996 110.932 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.71 101.0 6.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 75.239999999999995 110.898 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 91.8 t -108.99 114.74 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 74.329999999999998 111.132 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . 0.436 ' CE2' HD13 ' F' ' 34' ' ' LEU . 8.6 m-85 -117.66 109.29 16.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 74.340000000000003 110.918 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 60.87 78.25 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 75.310000000000002 110.895 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.28 119.32 33.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 64.5 111.117 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 64.07 107.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 73.099999999999994 110.895 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 99.6 t -125.0 125.47 69.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 72.409999999999997 111.135 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.9 -52.15 54.62 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 73.019999999999996 112.475 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -149.29 121.09 8.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.932 0.396 . . . . 71.349999999999994 110.87 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -94.54 100.68 12.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 75.200000000000003 110.897 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 5.4 tptp -114.69 134.55 54.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 74.329999999999998 110.92 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.08 -144.89 30.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 73.310000000000002 112.446 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.54 114.73 21.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.732 0.301 . . . . 72.099999999999994 111.071 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 mm -119.55 112.21 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 73.239999999999995 111.108 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 38.1 mt -130.32 118.41 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.439999999999998 111.159 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.94 -44.81 41.22 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 64.519999999999996 112.469 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.53 ' O ' ' CD1' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -172.05 151.74 2.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.821 0.343 . . . . 73.230000000000004 110.962 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' F' F ' 35' ' ' MET . . . . . 0.418 ' N ' ' CD2' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -114.46 119.68 37.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 64.409999999999997 110.881 179.888 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 4.0 p -135.59 117.11 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.427 . . . . 73.450000000000003 111.147 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.27 16.34 48.66 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 61.409999999999997 112.528 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.92 -171.23 16.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 74.230000000000004 112.51 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 p -169.38 130.48 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 72.019999999999996 111.164 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 33.7 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 75.319999999999993 111.121 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.779 0.323 . . . . 63.299999999999997 110.887 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.43 82.03 2.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 65.200000000000003 111.091 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -52.31 -47.87 65.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 71.120000000000005 110.875 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.69 115.38 6.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 73.299999999999997 110.87 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -131.43 109.66 10.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 73.420000000000002 110.89 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -104.43 109.21 20.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 74.510000000000005 110.816 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -111.25 102.32 10.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 72.209999999999994 110.859 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t -148.29 174.32 12.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 64.409999999999997 110.859 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.38 -8.56 30.74 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 64.450000000000003 112.474 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.25 112.92 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.86 0.362 . . . . 72.239999999999995 110.942 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -104.07 119.52 39.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 75.549999999999997 110.886 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 60.2 t -129.74 113.53 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 73.049999999999997 111.13 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 39.5 m170 -121.32 114.59 21.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 73.109999999999999 110.889 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -127.2 133.56 50.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 73.209999999999994 110.834 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.36 132.87 55.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 65.219999999999999 110.907 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -125.7 117.15 22.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 73.230000000000004 110.86 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -126.5 101.55 6.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 75.219999999999999 110.962 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 89.2 t -108.05 113.16 43.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 73.140000000000001 111.144 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -118.28 106.36 12.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 74.140000000000001 110.864 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 60.06 80.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 74.519999999999996 110.84 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.59 117.58 31.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 65.140000000000001 111.138 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.37 107.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 75.120000000000005 110.929 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 90.6 t -125.32 124.97 68.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 75.510000000000005 111.134 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.38 -51.7 56.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 75.219999999999999 112.511 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 3.4 p -148.64 121.73 8.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 74.409999999999997 110.837 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -94.01 99.74 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 52.240000000000002 110.88 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 tptp -116.8 136.56 52.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 74.239999999999995 110.883 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.77 -143.8 29.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 72.209999999999994 112.523 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.9 114.25 21.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.76 0.314 . . . . 73.420000000000002 111.099 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 mm -118.08 109.55 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 73.400000000000006 111.11 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 35.2 mt -128.42 119.17 49.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 75.519999999999996 111.09 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.8 -44.35 55.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.714 -0.755 . . . . 64.109999999999999 112.482 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.54 ' CD1' ' HB2' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -171.56 149.9 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 71.409999999999997 110.895 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' G' G ' 35' ' ' MET . . . . . 0.403 ' N ' ' CD2' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -114.1 115.99 28.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 71.530000000000001 110.861 179.822 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 3.8 p -135.71 116.65 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 73.25 111.132 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.85 18.14 45.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 71.310000000000002 112.496 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.49 -171.08 16.96 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.793 -0.718 . . . . 53.229999999999997 112.508 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 3.4 p -169.27 130.35 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 74.450000000000003 111.109 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 27.0 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 75.519999999999996 111.127 179.918 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.805 0.336 . . . . 70.409999999999997 110.878 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.02 81.64 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 71.409999999999997 111.111 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -52.49 -46.98 66.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 74.450000000000003 110.892 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.54 115.23 6.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 73.319999999999993 110.876 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -131.74 108.84 9.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 73.549999999999997 110.907 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -104.15 108.88 20.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 71.129999999999995 110.889 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -111.91 102.16 10.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 65.510000000000005 110.879 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 6.9 t -147.02 174.21 11.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 71.329999999999998 110.865 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.96 -9.04 30.85 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 73.510000000000005 112.511 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.32 112.12 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.868 0.366 . . . . 74.349999999999994 110.92 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -103.87 119.78 39.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 71.109999999999999 110.896 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 53.8 t -129.37 113.7 28.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 73.450000000000003 111.144 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 41.4 m170 -121.34 113.72 20.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 73.120000000000005 110.884 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -126.88 133.73 50.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 75.310000000000002 110.867 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.14 133.3 55.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 73.319999999999993 110.968 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -123.3 116.43 23.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 75.450000000000003 110.934 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.85 100.88 6.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 71.420000000000002 110.945 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 87.1 t -108.58 112.27 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 64.209999999999994 111.088 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -116.35 105.95 13.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 73.540000000000006 110.865 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 60.28 80.85 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 75.409999999999997 110.888 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.55 116.32 28.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.319999999999993 111.119 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.37 108.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 73.230000000000004 110.893 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 95.7 t -125.59 124.09 66.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 74.120000000000005 111.099 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.24 -51.0 59.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.751 . . . . 74.040000000000006 112.492 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -148.5 121.9 9.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.861 0.363 . . . . 74.219999999999999 110.888 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -94.32 99.95 12.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 70.340000000000003 110.906 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -118.28 137.71 52.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 72.040000000000006 110.88 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.94 -143.09 28.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 75.0 112.455 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.48 113.84 20.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.753 0.311 . . . . 75.540000000000006 111.09 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 3.2 mm -117.32 107.81 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 74.150000000000006 111.13 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 26.5 mt -127.44 118.93 50.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 64.200000000000003 111.177 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.91 -45.4 55.96 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 53.119999999999997 112.467 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . 0.551 ' C ' ' CD2' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -170.29 148.63 3.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 74.219999999999999 110.907 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.94 114.0 24.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 74.310000000000002 110.876 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 4.5 p -135.53 117.04 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 73.439999999999998 111.132 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.38 18.03 41.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 64.140000000000001 112.501 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.21 -170.9 17.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 54.32 112.486 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 3.2 p -169.54 130.48 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 72.109999999999999 111.157 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 23.9 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 72.099999999999994 111.155 179.87 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.812 0.339 . . . . 73.420000000000002 110.857 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.32 80.94 2.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 71.150000000000006 111.118 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -52.37 -46.68 66.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 64.129999999999995 110.913 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -147.1 115.12 6.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 74.319999999999993 110.875 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -131.85 109.34 10.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 74.439999999999998 110.827 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -104.29 108.7 20.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 55.009999999999998 110.875 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -112.4 102.28 10.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 72.420000000000002 110.89 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t -146.26 173.46 12.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 63.210000000000001 110.851 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.83 -8.59 31.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 73.510000000000005 112.496 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -172.24 111.29 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 74.140000000000001 110.92 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -103.66 119.8 39.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.065 -0.516 . . . . 75.099999999999994 110.853 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 55.1 t -129.82 113.28 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 73.319999999999993 111.113 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 41.8 m170 -121.09 113.14 19.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 75.209999999999994 110.883 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -126.06 133.26 51.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 72.430000000000007 110.888 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.88 134.15 54.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 74.150000000000006 110.929 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -122.43 116.48 24.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 74.450000000000003 110.871 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -128.22 100.35 5.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 73.510000000000005 110.937 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 88.1 t -108.75 113.46 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 72.409999999999997 111.122 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -115.73 106.9 14.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 74.129999999999995 110.86 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 59.67 81.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 75.140000000000001 110.887 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.4 115.76 28.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 73.439999999999998 111.075 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 64.3 108.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 70.400000000000006 110.825 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 93.2 t -125.41 123.82 65.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 75.329999999999998 111.126 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.9 -50.68 61.62 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 74.310000000000002 112.436 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -149.24 122.09 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 74.530000000000001 110.846 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -93.72 99.32 11.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 74.319999999999993 110.903 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -119.37 138.84 52.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 73.230000000000004 110.915 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.75 -141.99 26.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 74.109999999999999 112.494 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.7 113.77 20.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.738 0.304 . . . . 75.549999999999997 111.124 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 4.8 mm -117.23 108.93 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 72.099999999999994 111.104 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 29.2 mt -127.86 118.18 48.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 71.409999999999997 111.133 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.53 -45.37 53.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 61.130000000000003 112.463 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . 0.591 ' CD2' ' C ' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -171.25 146.25 2.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.802 0.334 . . . . 74.329999999999998 110.927 -179.9 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.22 113.34 22.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 75.099999999999994 110.905 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 3.4 p -135.43 115.29 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 74.010000000000005 111.147 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.09 17.37 44.57 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.753 -0.736 . . . . 73.010000000000005 112.478 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.58 -170.16 19.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 62.43 112.482 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 3.2 p -169.18 130.88 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.356 . . . . 71.400000000000006 111.141 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 33.0 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 70.530000000000001 111.161 179.919 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.828 0.346 . . . . 74.310000000000002 110.908 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.1 82.67 2.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 75.420000000000002 111.068 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -51.96 -47.14 64.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 73.239999999999995 110.859 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.68 115.76 6.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -129.36 109.16 10.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 74.140000000000001 110.875 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -102.9 108.77 20.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.209999999999994 110.868 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -113.03 102.19 10.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 73.510000000000005 110.871 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 7.3 t -147.56 170.73 16.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.450000000000003 110.88 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.15 -7.92 34.56 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 54.43 112.462 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -171.7 109.3 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.859 0.362 . . . . 75.049999999999997 110.918 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -104.95 120.05 40.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 51.350000000000001 110.907 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 54.6 t -129.67 113.83 28.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 74.409999999999997 111.122 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 43.3 m170 -120.32 112.92 19.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 71.450000000000003 110.852 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -127.36 133.95 50.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 75.349999999999994 110.828 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.7 139.09 54.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 71.439999999999998 110.893 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -122.86 115.69 22.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 73.519999999999996 110.887 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -128.1 101.57 6.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 74.420000000000002 110.917 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 85.7 t -108.06 114.49 46.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 73.129999999999995 111.154 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -114.6 105.43 13.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 75.140000000000001 110.894 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 59.01 81.24 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 74.329999999999998 110.948 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.88 114.36 26.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 75.239999999999995 111.092 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 63.6 108.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 75.209999999999994 110.89 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 90.6 t -124.71 122.2 63.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 72.400000000000006 111.166 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.82 -49.94 64.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 45.43 112.514 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -151.17 121.36 7.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.929 0.395 . . . . 74.340000000000003 110.836 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -91.85 98.95 11.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 65.310000000000002 110.851 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 tptp -120.6 140.09 52.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 75.109999999999999 110.915 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.01 -140.36 23.03 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 63.299999999999997 112.513 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.05 114.31 21.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 73.430000000000007 111.08 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 10.0 mm -113.55 108.04 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 62.43 111.155 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 36.3 mt -124.57 114.42 40.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 73.439999999999998 111.114 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.16 -41.31 78.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.749 -0.738 . . . . 74.140000000000001 112.478 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . 0.557 ' CD2' ' C ' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -171.34 149.15 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 72.109999999999999 110.906 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.96 114.83 19.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 71.439999999999998 110.89 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 4.4 p -140.89 114.28 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 75.5 111.141 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.47 19.42 33.77 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 75.430000000000007 112.508 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -112.01 -168.44 18.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 73.549999999999997 112.464 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 3.3 p -168.88 132.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 72.239999999999995 111.12 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 34.2 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 75.010000000000005 111.119 179.922 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.799 0.333 . . . . 74.0 110.869 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.62 91.66 4.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 52.409999999999997 111.103 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.35 -30.21 38.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 73.120000000000005 110.945 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -162.29 113.96 1.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 75.450000000000003 110.868 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -135.53 108.51 7.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 75.450000000000003 110.865 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -111.71 109.2 18.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 75.120000000000005 110.861 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -111.3 102.45 10.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 72.430000000000007 110.816 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.8 t -149.14 176.82 10.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 75.430000000000007 110.88 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.09 -19.27 9.12 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.739 -0.743 . . . . 74.5 112.426 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -156.03 110.94 2.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.825 0.345 . . . . 74.209999999999994 110.924 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -103.2 119.69 39.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 74.019999999999996 110.848 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.9 t -130.74 113.73 25.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 74.340000000000003 111.135 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -118.36 118.72 32.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 62.509999999999998 110.856 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -130.12 114.45 15.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 74.230000000000004 110.882 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.34 133.48 55.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 72.530000000000001 110.875 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -133.62 115.56 14.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 73.319999999999993 110.907 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -113.22 109.81 19.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 74.329999999999998 110.937 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.6 t -105.05 111.22 33.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 73.209999999999994 111.128 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -102.19 105.39 16.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 65.430000000000007 110.892 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 57.48 92.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 72.430000000000007 110.833 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.19 137.63 51.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 64.209999999999994 111.119 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.88 86.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.415 . . . . 64.340000000000003 110.843 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -122.86 129.63 75.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 74.239999999999995 111.116 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.91 -35.55 40.17 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.757 -0.735 . . . . 61.240000000000002 112.505 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.79 138.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.907 0.384 . . . . 61.350000000000001 110.859 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -100.2 100.03 10.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 73.25 110.908 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.95 150.27 34.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 71.439999999999998 110.891 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.85 -129.74 27.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 63.109999999999999 112.503 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.71 113.93 27.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.756 0.312 . . . . 74.129999999999995 111.09 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.86 118.46 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 74.450000000000003 111.123 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mt -132.07 122.28 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.469 . . . . 73.319999999999993 111.104 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.01 -51.0 20.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 63.299999999999997 112.536 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.553 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -158.78 159.2 34.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 74.239999999999995 110.898 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttp -133.31 122.98 24.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 73.230000000000004 110.87 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.2 t -134.32 113.16 16.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 74.510000000000005 111.159 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.31 26.97 73.43 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.705 -0.76 . . . . 74.239999999999995 112.504 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.19 -173.82 15.18 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.776 -0.726 . . . . 74.439999999999998 112.449 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.5 p -164.24 151.0 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 72.150000000000006 111.141 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.1 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 73.340000000000003 111.144 179.944 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.87 0.367 . . . . 60.140000000000001 110.89 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.18 91.9 5.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 54.009999999999998 111.134 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -52.67 -28.33 21.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 71.209999999999994 110.886 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -162.72 114.32 1.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.200000000000003 110.863 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -133.09 108.5 8.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 74.310000000000002 110.858 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 68.1 t60 -111.15 110.44 20.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 75.430000000000007 110.838 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -112.42 101.83 9.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 74.340000000000003 110.856 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.411 ' O ' ' HA ' ' C' ' 8' ' ' SER . 7.7 t -148.14 176.4 10.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 62.200000000000003 110.843 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.35 -18.84 9.32 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.78 -0.724 . . . . 71.230000000000004 112.491 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -156.09 110.76 2.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.924 0.393 . . . . 73.209999999999994 110.942 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -101.6 119.0 38.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 74.310000000000002 110.866 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 30.3 t -129.61 114.03 29.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 64.329999999999998 111.118 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 67.1 m170 -119.51 120.18 36.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 73.120000000000005 110.895 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -128.18 116.78 20.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 73.420000000000002 110.873 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.74 132.29 55.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 75.540000000000006 110.919 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -131.77 115.99 16.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 75.219999999999999 110.846 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -115.59 106.68 14.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 74.239999999999995 110.897 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 40.7 t -103.23 109.85 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 70.219999999999999 111.139 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -102.28 101.75 12.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 75.200000000000003 110.905 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 58.62 92.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 64.239999999999995 110.871 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.01 138.66 50.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 73.239999999999995 111.127 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.14 86.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 73.329999999999998 110.868 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -123.8 127.77 73.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 72.319999999999993 111.1 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.37 -34.34 41.27 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 75.219999999999999 112.5 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.13 138.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 75.450000000000003 110.869 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -100.96 99.56 10.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 75.25 110.889 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.45 153.58 30.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 71.310000000000002 110.939 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.65 -128.67 29.87 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 74.310000000000002 112.48 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.73 114.18 28.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 74.5 111.085 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.429 HG13 ' CG2' ' C' ' 31' ' ' ILE . 0.0 OUTLIER -121.59 115.19 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 74.049999999999997 111.169 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -131.27 122.05 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 64.120000000000005 111.126 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.74 -50.47 31.49 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 75.099999999999994 112.509 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.548 ' N ' ' CD1' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -158.49 155.93 29.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 75.439999999999998 110.924 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttp -128.1 120.84 28.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 75.219999999999999 110.858 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 63.8 t -137.06 112.83 11.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 74.329999999999998 111.101 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.38 28.62 73.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 70.430000000000007 112.456 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.03 -174.76 15.99 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 72.129999999999995 112.472 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 p -164.69 150.03 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.907 0.385 . . . . 74.329999999999998 111.103 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 13.8 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 72.549999999999997 111.125 179.938 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.814 0.34 . . . . 75.329999999999998 110.88 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.81 92.03 5.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 72.400000000000006 111.105 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.67 -28.12 31.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 74.409999999999997 110.892 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -162.54 114.12 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 74.439999999999998 110.902 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -131.34 108.58 9.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 75.030000000000001 110.874 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -111.54 109.44 19.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 75.299999999999997 110.832 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -111.53 101.92 10.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 64.519999999999996 110.861 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 8' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' B' ' 8' ' ' SER . 7.7 t -148.58 176.02 10.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 74.209999999999994 110.873 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.66 -18.4 9.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.802 -0.713 . . . . 74.120000000000005 112.511 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -155.91 110.99 2.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.88 0.371 . . . . 72.439999999999998 110.895 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -100.97 119.12 38.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 71.349999999999994 110.898 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 30.2 t -128.17 113.91 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 70.209999999999994 111.106 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 66.6 m170 -120.28 118.56 30.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 72.430000000000007 110.841 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -127.5 117.06 21.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 64.239999999999995 110.882 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.67 131.98 55.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 74.140000000000001 110.931 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -128.86 116.28 19.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 74.25 110.879 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -117.95 104.96 11.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 65.549999999999997 110.952 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 41.5 t -102.71 110.06 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 74.230000000000004 111.145 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -102.37 100.94 11.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 73.329999999999998 110.908 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 57.83 92.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 74.230000000000004 110.825 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.7 138.28 51.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 73.019999999999996 111.089 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.49 86.81 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 73.230000000000004 110.821 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.63 127.31 72.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 72.219999999999999 111.142 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.68 -34.12 35.54 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 72.530000000000001 112.467 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.85 138.43 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.915 0.388 . . . . 74.25 110.807 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -101.33 99.81 10.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.511 . . . . 73.299999999999997 110.859 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.18 154.34 30.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 74.430000000000007 110.9 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.85 -128.3 28.9 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.756 . . . . 53.350000000000001 112.49 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.47 113.53 27.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.748 0.309 . . . . 74.430000000000007 111.11 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . 0.463 HG13 ' CG2' ' D' ' 31' ' ' ILE . 0.0 OUTLIER -119.79 113.09 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 64.340000000000003 111.128 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -129.72 121.74 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 64.450000000000003 111.118 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.25 -51.23 31.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.735 . . . . 62.109999999999999 112.521 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.548 ' CD1' ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -156.64 154.81 30.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 62.240000000000002 110.88 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.5 ttp -127.82 119.46 25.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 64.450000000000003 110.898 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 72.7 t -137.57 112.01 9.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 75.5 111.127 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.4 30.05 75.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.707 -0.758 . . . . 72.439999999999998 112.537 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.29 -174.61 16.4 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.75 . . . . 75.340000000000003 112.507 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 14.6 p -164.42 150.24 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.922 0.391 . . . . 73.340000000000003 111.107 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 12.3 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 74.310000000000002 111.165 179.915 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.813 0.34 . . . . 74.349999999999994 110.874 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.91 91.95 5.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 72.319999999999993 111.11 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.92 -27.83 33.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 74.140000000000001 110.855 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.81 114.18 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 73.340000000000003 110.891 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -130.4 108.32 9.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 74.5 110.913 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -112.47 108.99 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 75.040000000000006 110.869 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -110.6 101.88 10.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 73.120000000000005 110.852 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 8' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' C' ' 8' ' ' SER . 7.7 t -149.29 174.52 12.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 74.019999999999996 110.849 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.15 -17.08 10.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.785 -0.721 . . . . 74.109999999999999 112.509 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -155.77 110.39 2.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 70.150000000000006 110.911 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -100.29 119.69 38.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 73.430000000000007 110.928 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 30.2 t -127.18 114.24 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 74.299999999999997 111.158 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 66.1 m170 -121.51 117.4 26.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 73.040000000000006 110.884 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -127.39 117.68 22.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 72.340000000000003 110.853 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.0 132.44 55.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 55.509999999999998 110.943 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -127.18 115.68 19.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 72.010000000000005 110.874 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -120.58 103.92 9.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 73.420000000000002 110.887 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 40.0 t -102.92 112.01 34.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 62.240000000000002 111.155 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 0.406 ' CG ' HD13 ' D' ' 34' ' ' LEU . 9.4 m-30 -101.84 101.07 11.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 71.400000000000006 110.847 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 58.15 92.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 74.239999999999995 110.891 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.79 139.52 50.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 73.549999999999997 111.082 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.82 85.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 72.219999999999999 110.872 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p -125.39 126.7 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 73.310000000000002 111.121 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.21 -34.34 40.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 72.230000000000004 112.536 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.99 138.46 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 74.319999999999993 110.865 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -99.58 99.99 10.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 72.409999999999997 110.918 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.93 154.26 29.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 74.040000000000006 110.878 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.66 -128.54 29.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 65.329999999999998 112.438 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.41 113.3 26.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 51.439999999999998 111.13 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . 0.463 ' CG2' HG13 ' C' ' 31' ' ' ILE . 0.0 OUTLIER -117.56 113.5 42.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 74.430000000000007 111.109 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -129.41 121.16 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 62.210000000000001 111.13 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.65 -51.87 31.47 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 71.109999999999999 112.485 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.517 ' N ' ' CD1' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -155.22 153.43 30.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 74.409999999999997 110.939 -179.886 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 2.6 mtp -128.33 118.53 23.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 73.409999999999997 110.892 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 76.9 t -138.18 111.53 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 70.5 111.093 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.88 30.3 76.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 74.420000000000002 112.476 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.23 -173.91 16.75 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.682 -0.771 . . . . 74.450000000000003 112.433 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 12.9 p -163.16 150.79 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.368 . . . . 71.140000000000001 111.125 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 63.399999999999999 111.099 179.926 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.822 0.344 . . . . 72.310000000000002 110.874 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.3 91.87 5.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 54.229999999999997 111.136 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.7 -27.77 29.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 71.299999999999997 110.89 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -160.67 115.24 2.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 73.120000000000005 110.876 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -129.14 107.67 9.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 71.200000000000003 110.859 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -112.73 108.76 17.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 74.120000000000005 110.863 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -108.68 101.1 10.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 72.049999999999997 110.877 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 7.5 t -152.34 169.79 21.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 75.349999999999994 110.865 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.54 -14.15 15.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 74.109999999999999 112.511 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -153.37 108.77 3.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.345 . . . . 74.129999999999995 110.92 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -101.1 120.81 40.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 62.109999999999999 110.874 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 30.0 t -125.4 114.34 39.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 64.439999999999998 111.137 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 64.8 m170 -122.82 115.82 22.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 70.340000000000003 110.887 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -128.5 120.39 26.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 75.310000000000002 110.828 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.74 133.61 54.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 74.430000000000007 110.934 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -125.64 115.76 20.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 71.239999999999995 110.898 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -123.16 104.04 8.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 73.120000000000005 110.899 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 40.1 t -102.04 114.75 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 72.510000000000005 111.111 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -102.67 97.32 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 72.239999999999995 110.911 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 58.99 90.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 73.209999999999994 110.86 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.99 139.59 49.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 71.400000000000006 111.13 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.67 85.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 63.329999999999998 110.856 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -124.11 124.58 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 73.329999999999998 111.137 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.26 -32.96 37.73 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.751 -0.738 . . . . 64.200000000000003 112.498 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.0 136.58 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 74.510000000000005 110.909 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -98.91 99.43 10.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 72.519999999999996 110.902 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -115.91 155.07 28.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 73.400000000000006 110.892 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.13 -130.63 29.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.745 . . . . 52.32 112.481 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.82 114.64 28.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.746 0.308 . . . . 73.239999999999995 111.107 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . 0.404 ' CG2' HG13 ' D' ' 31' ' ' ILE . 0.0 OUTLIER -115.46 114.2 45.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 74.230000000000004 111.13 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -129.22 117.54 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 73.150000000000006 111.076 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.82 -48.19 51.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.673 -0.775 . . . . 74.549999999999997 112.492 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.483 ' N ' ' CD1' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -155.22 154.04 31.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 74.530000000000001 110.921 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -130.5 118.1 20.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 71.129999999999995 110.866 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 58.5 t -142.62 111.02 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 63.450000000000003 111.127 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.28 30.59 78.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 74.019999999999996 112.475 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.2 -173.39 16.53 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.726 . . . . 71.329999999999998 112.435 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 12.1 p -162.14 150.72 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 74.439999999999998 111.158 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 75.25 111.118 179.94 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.864 0.364 . . . . 71.340000000000003 110.862 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.83 91.55 5.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 74.030000000000001 111.088 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.59 -29.67 38.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 70.420000000000002 110.908 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.32 114.18 1.9 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 74.109999999999999 110.926 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -134.1 108.73 8.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 75.019999999999996 110.867 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -111.05 109.14 19.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 74.430000000000007 110.897 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -111.21 102.27 10.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 72.239999999999995 110.866 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 7.8 t -149.51 176.54 10.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 74.530000000000001 110.892 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.4 -19.3 8.95 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 62.109999999999999 112.498 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -156.02 110.93 2.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.822 0.344 . . . . 74.430000000000007 110.969 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -102.59 119.44 38.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 71.140000000000001 110.87 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 29.8 t -129.8 114.07 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 62.43 111.163 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 66.6 m170 -117.95 118.96 33.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 73.540000000000006 110.877 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -131.46 112.91 13.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 74.530000000000001 110.86 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.52 133.51 55.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 75.329999999999998 110.893 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -133.9 115.65 14.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 75.049999999999997 110.912 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -113.12 110.13 19.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 74.310000000000002 110.922 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 39.2 t -105.44 111.68 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 74.239999999999995 111.178 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -102.17 105.71 16.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 72.129999999999995 110.911 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 57.49 92.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 72.209999999999994 110.848 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.68 138.35 50.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 75.030000000000001 111.099 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.55 85.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 63.119999999999997 110.858 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -123.08 129.69 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 65.019999999999996 111.141 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.04 -35.92 42.1 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.724 -0.75 . . . . 63.409999999999997 112.5 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.98 136.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.872 0.368 . . . . 63.340000000000003 110.873 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -98.91 99.7 10.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 75.219999999999999 110.866 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.45 150.62 32.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 73.019999999999996 110.874 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.57 -131.89 29.43 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.718 -0.753 . . . . 53.43 112.517 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.55 113.43 26.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.318 . . . . 73.25 111.134 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.67 119.16 56.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 74.420000000000002 111.131 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mt -132.49 122.36 47.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 72.530000000000001 111.164 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.95 -51.28 19.28 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 31.02 112.461 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.56 ' N ' ' CD1' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -158.85 158.86 34.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.79 0.329 . . . . 71.129999999999995 110.931 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttp -132.93 122.76 24.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 73.239999999999995 110.864 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 53.0 t -134.22 112.92 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 72.140000000000001 111.139 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.29 26.86 73.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 60.200000000000003 112.492 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.44 -173.74 15.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 64.439999999999998 112.454 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 12.1 p -164.85 151.85 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.353 . . . . 73.239999999999995 111.14 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 18.3 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 74.25 111.128 179.943 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.814 0.34 . . . . 73.400000000000006 110.853 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.54 91.48 5.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 73.540000000000006 111.115 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -52.7 -28.86 23.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 75.040000000000006 110.886 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -162.84 114.57 1.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 75.230000000000004 110.926 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -132.47 108.4 9.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 71.530000000000001 110.893 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -110.43 109.8 20.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 73.200000000000003 110.882 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -111.68 101.49 9.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 75.540000000000006 110.845 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 8' ' ' SER . . . . . 0.411 ' O ' ' HA ' ' H' ' 8' ' ' SER . 7.7 t -148.37 176.25 10.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 73.439999999999998 110.838 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.57 -18.81 9.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.731 . . . . 65.340000000000003 112.536 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -156.11 110.49 2.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.862 0.363 . . . . 75.400000000000006 110.944 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -100.92 118.94 37.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 70.209999999999994 110.859 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 30.6 t -128.66 114.06 31.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 74.230000000000004 111.158 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 67.3 m170 -119.2 119.45 34.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 75.510000000000005 110.845 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -128.89 116.33 19.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 73.030000000000001 110.879 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.72 132.41 55.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 75.340000000000003 110.903 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -131.8 116.31 17.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 64.219999999999999 110.882 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -115.47 106.99 14.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 73.420000000000002 110.934 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 41.2 t -103.55 110.35 29.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.479 . . . . 73.349999999999994 111.105 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 12.6 m-30 -102.32 102.21 12.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 61.43 110.87 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 58.56 92.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 71.219999999999999 110.879 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.3 138.72 50.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 72.349999999999994 111.103 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.07 86.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.432 . . . . 70.25 110.86 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -123.7 127.62 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 73.150000000000006 111.111 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.29 -34.34 40.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 74.299999999999997 112.488 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.05 137.45 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 54.43 110.857 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -100.9 98.95 9.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 72.549999999999997 110.835 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.16 154.71 28.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 74.109999999999999 110.896 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.17 -129.42 31.86 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 74.040000000000006 112.488 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.02 113.84 27.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.322 . . . . 75.450000000000003 111.12 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . 0.431 HG13 ' CG2' ' H' ' 31' ' ' ILE . 0.0 OUTLIER -121.49 115.85 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 72.510000000000005 111.128 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -131.53 122.02 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 75.329999999999998 111.148 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.58 -51.08 28.93 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.715 -0.755 . . . . 50.43 112.502 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.548 ' N ' ' CD1' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -158.32 156.17 30.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.8 0.333 . . . . 75.340000000000003 110.921 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttp -128.43 120.73 27.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 62.32 110.895 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 66.4 t -136.79 112.26 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 73.329999999999998 111.101 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.43 28.94 73.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 64.120000000000005 112.535 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.11 -174.52 15.88 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 74.5 112.505 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 14.6 p -164.73 150.46 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.38 . . . . 75.409999999999997 111.102 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 13.6 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 74.209999999999994 111.103 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.856 0.36 . . . . 72.299999999999997 110.89 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.73 91.72 5.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 75.439999999999998 111.105 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.65 -29.07 36.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 73.439999999999998 110.925 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.85 114.75 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 74.030000000000001 110.894 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -131.45 108.56 9.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.430000000000007 110.859 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -111.34 109.28 19.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 75.319999999999993 110.851 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -111.45 101.85 10.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 70.299999999999997 110.839 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 8' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' G' ' 8' ' ' SER . 7.6 t -148.64 175.84 10.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 64.340000000000003 110.854 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.64 -18.48 9.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 70.209999999999994 112.457 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -155.99 110.75 2.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 75.329999999999998 110.965 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -100.44 118.99 37.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 74.120000000000005 110.874 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 31.1 t -127.73 114.26 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 73.209999999999994 111.137 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 66.2 m170 -120.09 118.55 30.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 75.030000000000001 110.885 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -128.28 116.75 20.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 75.409999999999997 110.822 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.02 132.28 54.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 71.25 110.932 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -129.36 116.45 19.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 73.129999999999995 110.871 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -117.15 105.25 12.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 74.239999999999995 110.869 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 41.7 t -102.8 110.06 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 62.509999999999998 111.098 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 10.9 m-30 -102.1 101.1 11.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 74.239999999999995 110.853 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 57.88 91.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 72.109999999999999 110.897 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.27 138.74 51.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 71.439999999999998 111.066 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.3 86.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 73.129999999999995 110.872 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.21 126.98 73.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 64.140000000000001 111.141 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.05 -33.92 38.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.71 -0.757 . . . . 72.310000000000002 112.502 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.6 137.39 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 45.030000000000001 110.831 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -101.15 98.98 9.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 75.219999999999999 110.892 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.32 155.35 27.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 75.150000000000006 110.924 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.23 -129.0 31.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 71.120000000000005 112.495 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.0 113.56 27.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.719 0.295 . . . . 72.430000000000007 111.098 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . 0.467 HG13 ' CG2' ' I' ' 31' ' ' ILE . 0.0 OUTLIER -119.43 114.0 42.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 75.450000000000003 111.104 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -130.28 121.45 51.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 73.310000000000002 111.137 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.06 -51.81 28.84 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.742 -0.742 . . . . 74.030000000000001 112.537 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . 0.55 ' CD1' ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -156.46 154.84 31.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.331 . . . . 75.430000000000007 110.928 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttp -127.99 119.39 25.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 74.239999999999995 110.92 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 71.8 t -137.27 112.07 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 74.129999999999995 111.149 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.7 30.41 77.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.783 -0.722 . . . . 73.510000000000005 112.495 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.3 -174.18 16.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 73.310000000000002 112.493 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 13.2 p -164.46 151.24 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 72.450000000000003 111.169 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 13.6 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 73.219999999999999 111.102 179.957 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.848 0.356 . . . . 74.310000000000002 110.84 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.42 91.69 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 71.329999999999998 111.048 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.47 -28.91 33.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 71.120000000000005 110.891 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.79 114.84 1.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 73.430000000000007 110.854 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -130.36 108.38 9.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 65.409999999999997 110.823 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -111.75 108.73 18.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 72.109999999999999 110.871 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -110.5 101.91 10.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 74.430000000000007 110.882 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 8' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' H' ' 8' ' ' SER . 7.7 t -149.41 174.49 12.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 64.120000000000005 110.857 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.82 -17.34 10.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 63.539999999999999 112.495 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -155.91 111.05 2.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.85 0.357 . . . . 74.510000000000005 110.93 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -100.42 119.81 39.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 73.109999999999999 110.867 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 31.7 t -127.12 114.26 36.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 74.129999999999995 111.124 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 65.9 m170 -121.56 117.92 27.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.168 -0.469 . . . . 73.209999999999994 110.807 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -128.72 117.74 21.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 61.520000000000003 110.839 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.11 132.06 54.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 75.25 110.9 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -127.07 116.22 20.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 75.340000000000003 110.908 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -119.19 104.23 10.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 73.219999999999999 110.937 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 40.4 t -102.52 111.89 33.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 74.049999999999997 111.155 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . 0.41 ' CG ' HD13 ' I' ' 34' ' ' LEU . 10.0 m-30 -101.7 99.97 10.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 73.409999999999997 110.885 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 58.99 91.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 73.310000000000002 110.895 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.19 139.31 50.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 71.530000000000001 111.095 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.61 86.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 73.150000000000006 110.87 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -126.02 126.19 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 72.219999999999999 111.129 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.89 -34.39 37.69 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.793 -0.718 . . . . 65.510000000000005 112.462 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.37 137.77 0.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.958 0.409 . . . . 73.150000000000006 110.84 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -99.59 99.4 10.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 75.230000000000004 110.928 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.51 155.36 26.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 74.230000000000004 110.863 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.97 -130.32 33.04 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 73.299999999999997 112.455 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.08 113.49 27.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.734 0.302 . . . . 75.219999999999999 111.065 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . 0.467 ' CG2' HG13 ' H' ' 31' ' ' ILE . 0.0 OUTLIER -117.31 114.47 45.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 72.239999999999995 111.111 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -129.96 121.07 51.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 74.540000000000006 111.107 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.55 -52.56 28.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 72.409999999999997 112.47 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . 0.526 ' N ' ' CD1' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -154.9 153.68 31.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.786 0.327 . . . . 75.129999999999995 110.949 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.6 mtp -128.64 118.63 23.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 73.430000000000007 110.917 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 73.8 t -138.49 111.12 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 62.340000000000003 111.132 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.14 30.11 76.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.78 -0.724 . . . . 72.430000000000007 112.494 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.7 -173.55 16.88 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.757 . . . . 74.129999999999995 112.514 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 12.2 p -163.76 151.35 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.891 0.377 . . . . 74.349999999999994 111.087 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 14.3 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 63.420000000000002 111.122 179.908 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.821 0.343 . . . . 74.430000000000007 110.822 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.8 91.67 5.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 72.439999999999998 111.089 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.05 -29.24 28.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 75.299999999999997 110.858 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.03 115.31 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 74.439999999999998 110.926 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -129.45 108.11 10.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 74.430000000000007 110.892 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -112.79 108.59 17.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 75.430000000000007 110.9 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -108.91 101.39 10.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 72.319999999999993 110.841 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 7.7 t -151.73 169.54 21.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 62.039999999999999 110.881 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.37 -15.05 14.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.803 -0.713 . . . . 74.120000000000005 112.482 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -154.25 109.08 3.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 74.420000000000002 110.943 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -99.58 120.56 39.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 63.5 110.881 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 31.0 t -125.16 114.19 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 74.439999999999998 111.105 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -122.68 116.69 24.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 72.230000000000004 110.809 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -128.54 119.5 24.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 75.010000000000005 110.859 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.26 133.27 54.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 75.310000000000002 110.918 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -126.94 115.81 19.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 73.209999999999994 110.883 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -122.29 104.24 9.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 74.109999999999999 110.913 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 39.1 t -102.0 114.92 42.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 73.420000000000002 111.143 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -102.75 97.18 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 71.120000000000005 110.891 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 59.39 90.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 70.340000000000003 110.862 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.09 140.53 49.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 71.049999999999997 111.089 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.44 85.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 71.140000000000001 110.905 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -125.12 124.76 68.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 74.549999999999997 111.109 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.03 -33.27 36.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.746 . . . . 64.150000000000006 112.498 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.94 135.89 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.872 0.367 . . . . 72.040000000000006 110.873 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -97.91 99.0 10.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 72.219999999999999 110.863 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.93 155.47 26.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 74.299999999999997 110.877 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.72 -132.26 31.8 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 70.510000000000005 112.442 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.55 114.37 27.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.752 0.31 . . . . 74.420000000000002 111.13 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . 0.414 ' CG2' HG13 ' I' ' 31' ' ' ILE . 0.0 OUTLIER -115.0 115.57 49.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 73.349999999999994 111.121 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -130.04 118.32 43.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 72.140000000000001 111.152 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.84 -49.5 47.75 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.752 . . . . 74.409999999999997 112.515 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . 0.495 ' N ' ' CD1' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -154.8 153.58 31.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.757 0.313 . . . . 74.310000000000002 110.969 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -130.69 117.71 19.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 74.140000000000001 110.902 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 73.9 t -143.16 111.05 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 65.120000000000005 111.086 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.61 30.29 77.06 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.721 -0.752 . . . . 75.200000000000003 112.491 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.12 -173.06 16.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.8 -0.714 . . . . 73.420000000000002 112.488 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 p -162.99 149.97 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 73.430000000000007 111.159 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 16.5 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 74.420000000000002 111.119 179.931 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.815 0.341 . . . . 64.200000000000003 110.889 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.32 84.46 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 64.439999999999998 111.08 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -52.99 -31.78 42.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 64.349999999999994 110.897 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -156.4 113.16 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 72.409999999999997 110.872 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.99 108.31 6.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 74.209999999999994 110.855 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -112.43 131.22 55.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 73.530000000000001 110.872 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -135.47 101.56 4.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 74.420000000000002 110.832 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.6 m -145.35 176.44 9.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 62.340000000000003 110.852 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.35 -9.98 49.35 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.79 -0.719 . . . . 72.519999999999996 112.502 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.25 114.73 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.88 0.371 . . . . 74.019999999999996 110.956 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -97.77 120.12 37.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 73.349999999999994 110.897 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.3 t -127.13 125.33 66.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 75.409999999999997 111.156 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -137.85 118.75 14.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 74.329999999999998 110.844 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -136.08 133.34 37.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 73.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -122.9 133.31 54.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 75.129999999999995 110.938 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.7 tptm -128.72 118.91 23.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 71.349999999999994 110.903 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.75 103.75 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 74.140000000000001 110.939 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -109.73 111.22 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 74.349999999999994 111.108 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -103.32 141.12 36.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 75.310000000000002 110.901 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 62.64 36.18 13.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.430000000000007 110.898 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.6 125.92 34.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 71.140000000000001 111.051 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.36 72.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 62.420000000000002 110.808 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 p -139.36 139.95 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.310000000000002 111.108 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.79 -92.29 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 70.120000000000005 112.461 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.0 m -125.06 143.6 50.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 74.140000000000001 110.87 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -100.13 99.48 10.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 62.549999999999997 110.91 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.39 168.59 10.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 74.340000000000003 110.866 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.31 -125.27 20.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 71.519999999999996 112.481 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.74 114.16 27.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.751 0.31 . . . . 61.420000000000002 111.108 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -129.25 117.8 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 63.509999999999998 111.124 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.3 mt -133.98 119.19 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 74.5 111.111 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.01 -54.37 18.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 54.420000000000002 112.503 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.595 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -159.45 152.11 21.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.794 0.331 . . . . 71.349999999999994 110.951 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.9 mtp -134.53 127.96 32.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 73.019999999999996 110.884 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.2 t -130.16 119.03 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 74.5 111.142 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.31 25.21 64.5 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.711 -0.757 . . . . 65.420000000000002 112.516 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.24 157.48 22.01 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.767 -0.73 . . . . 42.409999999999997 112.512 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 m -123.8 177.74 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.842 0.353 . . . . 62.450000000000003 111.136 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 m . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 75.549999999999997 111.165 179.907 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.828 0.347 . . . . 71.209999999999994 110.853 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.37 84.38 2.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 74.129999999999995 111.078 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -52.54 -29.97 28.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 74.140000000000001 110.89 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -157.74 112.24 2.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 73.340000000000003 110.905 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.43 107.38 7.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 75.420000000000002 110.885 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -112.55 130.55 55.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 72.200000000000003 110.858 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -134.99 101.49 4.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.310000000000002 110.82 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 10.5 m -144.65 176.12 9.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 75.519999999999996 110.897 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.65 -10.11 48.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.786 -0.721 . . . . 75.329999999999998 112.514 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -172.44 113.0 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 74.329999999999998 110.94 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -95.4 120.38 35.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 74.439999999999998 110.863 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 56.5 t -125.85 124.01 65.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 75.409999999999997 111.15 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -138.19 117.41 12.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 65.530000000000001 110.877 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -136.05 133.32 37.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 75.25 110.866 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -120.19 134.11 55.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 62.340000000000003 110.935 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 8.7 tptm -124.75 118.92 27.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 73.349999999999994 110.915 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -127.74 103.72 7.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 74.439999999999998 110.912 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 t -110.76 112.99 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 72.109999999999999 111.175 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -107.37 136.71 46.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 75.420000000000002 110.858 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 62.3 35.19 15.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 63.32 110.849 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.12 124.77 33.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 74.109999999999999 111.093 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.84 72.92 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 74.439999999999998 110.863 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 4.9 p -139.89 139.61 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 75.340000000000003 111.18 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.56 -91.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 74.230000000000004 112.53 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 27.0 m -124.12 143.6 50.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 70.25 110.83 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -102.02 99.92 10.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 74.319999999999993 110.925 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.77 169.77 8.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 75.439999999999998 110.888 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.76 -126.89 26.61 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.704 -0.76 . . . . 74.329999999999998 112.481 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.96 113.32 26.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.754 0.311 . . . . 75.239999999999995 111.09 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.31 116.84 45.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 74.25 111.101 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 mt -131.42 120.19 45.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.519999999999996 111.143 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.53 -55.53 16.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.684 -0.77 . . . . 55.240000000000002 112.505 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.583 ' N ' ' CD1' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -155.58 151.14 27.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 74.040000000000006 110.939 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 10.1 mtp -131.91 123.21 26.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 71.510000000000005 110.875 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 44.6 t -130.2 117.68 41.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 71.209999999999994 111.151 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.34 26.43 61.7 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.771 -0.728 . . . . 70.209999999999994 112.464 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.37 157.15 21.62 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 70.400000000000006 112.483 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 10.4 m -123.55 177.37 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 73.239999999999995 111.163 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 75.019999999999996 111.104 179.903 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.808 0.337 . . . . 72.530000000000001 110.875 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.15 84.03 2.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 73.530000000000001 111.135 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -53.49 -28.6 31.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 75.109999999999999 110.884 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -157.41 112.46 2.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 75.420000000000002 110.919 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.59 106.75 7.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 73.150000000000006 110.914 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -113.04 131.13 55.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 75.400000000000006 110.865 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -135.43 101.52 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 73.239999999999995 110.879 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 10.4 m -144.24 175.78 9.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 64.230000000000004 110.88 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.68 -10.11 47.89 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.788 -0.72 . . . . 61.32 112.475 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -172.39 112.72 0.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.872 0.368 . . . . 74.299999999999997 110.935 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.95 120.36 35.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 74.430000000000007 110.926 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 56.9 t -125.06 123.59 65.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 72.129999999999995 111.102 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -138.26 116.64 11.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 75.129999999999995 110.839 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -135.31 134.87 40.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 71.219999999999999 110.84 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -121.44 134.62 55.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 74.430000000000007 110.903 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -123.15 117.88 26.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 73.010000000000005 110.896 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -128.91 103.25 6.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 73.140000000000001 110.893 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 1.4 t -112.01 114.33 46.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 74.319999999999993 111.106 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -107.89 136.2 48.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 72.319999999999993 110.897 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 60.87 35.56 19.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 71.430000000000007 110.919 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.49 124.75 33.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 72.010000000000005 111.103 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.0 73.46 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 70.030000000000001 110.891 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 5.7 p -140.18 139.17 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 75.230000000000004 111.164 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.8 -91.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 64.239999999999995 112.487 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 26.7 m -123.82 143.1 50.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 50.329999999999998 110.882 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . 0.413 ' N ' HD21 ' C' ' 27' ' ' ASN . 1.3 m-80 -102.18 99.92 10.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 75.219999999999999 110.874 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.17 170.57 8.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 74.409999999999997 110.915 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.81 -127.79 28.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 73.25 112.453 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.0 112.95 25.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.736 0.303 . . . . 71.120000000000005 111.089 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.63 116.29 44.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 73.239999999999995 111.12 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 mt -130.35 119.78 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 74.340000000000003 111.099 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.87 -56.17 12.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 53.109999999999999 112.483 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.598 ' CD1' ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -154.16 149.73 27.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.812 0.339 . . . . 73.420000000000002 110.925 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 10.3 mtp -130.41 122.69 28.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 74.420000000000002 110.889 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 47.5 t -131.58 117.87 36.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.267 -0.424 . . . . 73.439999999999998 111.089 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.12 27.2 57.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 71.209999999999994 112.524 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.53 157.06 21.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.742 -0.742 . . . . 72.349999999999994 112.531 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 9.0 m -123.32 177.16 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 71.25 111.17 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 74.129999999999995 111.138 179.925 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.821 0.343 . . . . 73.310000000000002 110.878 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.26 84.92 3.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 74.540000000000006 111.087 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.65 -27.47 27.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 72.430000000000007 110.855 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -156.92 112.82 2.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 75.150000000000006 110.887 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.56 107.18 8.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 65.230000000000004 110.905 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -114.39 131.21 56.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 70.430000000000007 110.855 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -134.67 101.57 4.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 73.409999999999997 110.858 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 10.0 m -144.39 174.67 10.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 71.239999999999995 110.853 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.02 -9.32 48.97 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.718 -0.753 . . . . 63.420000000000002 112.485 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -172.16 113.5 0.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 75.5 110.961 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.45 121.22 36.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 75.530000000000001 110.872 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 53.7 t -124.65 122.79 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 72.219999999999999 111.159 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -138.56 116.79 11.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 72.200000000000003 110.869 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -136.29 135.48 38.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 71.340000000000003 110.851 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -122.65 134.88 54.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 73.510000000000005 110.902 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -121.81 116.7 24.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 75.010000000000005 110.829 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -130.37 103.43 6.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 74.430000000000007 110.93 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -112.91 117.1 54.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 73.239999999999995 111.094 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' D' ' 19' ' ' PHE . 1.9 m-85 -108.92 136.72 48.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 75.219999999999999 110.865 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 59.24 34.7 23.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 72.420000000000002 110.823 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.33 125.4 34.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 74.519999999999996 111.113 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.71 72.37 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 64.129999999999995 110.804 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 p -140.15 138.01 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 73.409999999999997 111.11 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.23 -91.2 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 62.340000000000003 112.502 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 26.5 m -123.72 142.75 50.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 73.439999999999998 110.901 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . 0.426 ' N ' HD21 ' D' ' 27' ' ' ASN . 1.4 m-80 -101.96 99.75 9.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 73.209999999999994 110.924 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.69 170.83 8.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 74.25 110.937 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.07 -127.83 29.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 71.150000000000006 112.489 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.52 112.83 25.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.714 0.292 . . . . 72.129999999999995 111.097 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.99 116.69 45.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 73.5 111.145 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -129.9 119.51 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 74.420000000000002 111.118 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.65 -57.48 9.47 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 45.219999999999999 112.506 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.615 ' N ' ' CD1' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -152.56 147.65 26.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.864 0.364 . . . . 74.540000000000006 110.898 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 10.8 mtp -130.99 122.41 26.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 73.239999999999995 110.874 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 48.3 t -132.58 116.39 27.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 74.519999999999996 111.142 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.53 27.51 61.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 71.129999999999995 112.498 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.88 158.4 21.39 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 71.519999999999996 112.492 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 6.4 m -122.43 177.35 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.865 0.364 . . . . 74.5 111.112 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 73.219999999999999 111.116 179.896 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.833 0.349 . . . . 75.239999999999995 110.854 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.82 84.42 3.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 71.209999999999994 111.123 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.13 -27.92 23.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 64.019999999999996 110.895 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -155.56 114.01 3.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 74.430000000000007 110.913 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.89 106.57 8.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 75.299999999999997 110.849 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -116.21 131.28 56.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 75.120000000000005 110.869 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -132.86 101.11 5.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 75.109999999999999 110.905 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 9.7 m -145.44 170.86 15.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 72.109999999999999 110.876 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.78 -8.51 51.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 74.319999999999993 112.477 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -170.99 112.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 75.420000000000002 110.943 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -96.19 121.65 38.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 73.510000000000005 110.887 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -123.49 122.74 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 73.109999999999999 111.078 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -139.31 115.38 10.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 60.409999999999997 110.866 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -136.21 135.93 39.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 73.329999999999998 110.9 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -122.56 138.45 54.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 74.340000000000003 110.887 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -122.67 114.85 21.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 74.209999999999994 110.843 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -130.68 105.64 7.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 72.420000000000002 110.903 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -113.39 120.19 62.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 74.129999999999995 111.123 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' E' ' 19' ' ' PHE . 1.7 m-85 -110.85 134.84 52.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 73.439999999999998 110.836 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 57.01 35.3 26.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 74.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.6 127.17 36.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 74.540000000000006 111.117 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.99 72.56 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 73.230000000000004 110.849 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 p -140.78 136.02 34.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 74.329999999999998 111.092 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.28 -90.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 71.540000000000006 112.45 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 25.1 m -124.72 140.95 52.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.947 0.403 . . . . 73.519999999999996 110.798 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -101.32 99.71 10.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 74.340000000000003 110.857 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.59 170.8 8.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 75.030000000000001 110.909 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.71 -128.62 33.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 64.439999999999998 112.501 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.43 113.38 26.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 73.329999999999998 111.102 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -128.26 116.75 43.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 75.319999999999993 111.132 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 mt -126.16 120.61 57.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 62.130000000000003 111.128 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.47 -54.23 25.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.751 . . . . 64.129999999999995 112.516 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.575 ' N ' ' CD1' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -152.98 150.85 29.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 73.230000000000004 110.918 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 10.9 mtp -134.63 120.47 19.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 64.140000000000001 110.84 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 47.1 t -134.26 115.26 20.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 71.129999999999995 111.107 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.49 27.63 54.37 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 72.120000000000005 112.538 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.05 159.99 21.25 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 75.420000000000002 112.421 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 m -123.17 178.66 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.366 . . . . 70.430000000000007 111.14 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 18.2 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 74.450000000000003 111.14 179.921 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.824 0.345 . . . . 73.219999999999999 110.869 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.6 83.89 3.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 72.310000000000002 111.109 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -52.31 -31.69 34.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 71.319999999999993 110.884 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -156.69 114.53 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 74.319999999999993 110.838 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.06 108.31 7.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 75.030000000000001 110.887 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -112.14 130.47 55.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 73.049999999999997 110.861 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -135.02 101.85 5.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 75.109999999999999 110.878 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 10.6 m -145.3 176.01 9.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 73.409999999999997 110.861 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.19 -9.9 50.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 74.230000000000004 112.49 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.23 114.74 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.878 0.37 . . . . 74.019999999999996 110.941 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -97.28 119.89 36.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 74.329999999999998 110.874 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 53.7 t -126.75 125.2 66.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 74.150000000000006 111.139 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -137.59 118.58 14.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 64.430000000000007 110.854 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -136.57 132.67 35.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 63.229999999999997 110.862 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -122.78 133.4 54.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 75.230000000000004 110.937 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 8.7 tptm -128.43 119.05 24.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 73.510000000000005 110.904 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.95 103.38 7.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 74.439999999999998 110.92 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -109.75 111.74 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 75.140000000000001 111.142 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -103.47 141.15 36.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 72.420000000000002 110.896 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 62.63 35.78 14.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 75.319999999999993 110.923 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.42 126.97 35.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 71.200000000000003 111.103 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.26 71.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 61.549999999999997 110.9 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 p -139.27 139.77 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 52.299999999999997 111.12 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.61 -92.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 72.340000000000003 112.444 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 26.8 m -124.05 142.63 51.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.911 0.386 . . . . 72.329999999999998 110.835 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -98.85 99.06 10.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 74.430000000000007 110.893 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.0 168.79 9.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 74.340000000000003 110.943 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.9 -127.29 23.79 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 73.099999999999994 112.51 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.59 114.19 27.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.719 0.295 . . . . 72.310000000000002 111.126 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.16 119.01 49.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 74.420000000000002 111.144 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 6.4 mt -134.32 118.65 27.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 75.019999999999996 111.134 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.61 -54.82 15.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 70.340000000000003 112.497 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.603 ' N ' ' CD1' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -159.24 151.93 21.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.791 0.329 . . . . 73.200000000000003 110.922 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 11.0 mtp -134.06 127.18 31.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 73.230000000000004 110.881 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 45.8 t -129.99 119.18 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 72.310000000000002 111.135 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.58 25.57 63.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 62.100000000000001 112.499 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.89 157.03 21.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 73.420000000000002 112.501 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 11.8 m -123.58 177.46 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 73.209999999999994 111.156 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 20.0 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 75.349999999999994 111.147 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.816 0.341 . . . . 73.030000000000001 110.873 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.46 84.95 3.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 74.200000000000003 111.075 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -51.62 -30.6 22.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 74.349999999999994 110.904 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -157.46 113.94 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 73.319999999999993 110.846 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.62 107.44 7.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 73.109999999999999 110.866 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -112.17 129.95 56.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 63.329999999999998 110.862 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -134.71 101.62 5.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 74.030000000000001 110.866 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 10.4 m -144.68 175.84 9.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 74.549999999999997 110.878 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.79 -10.09 47.59 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.796 -0.716 . . . . 73.310000000000002 112.534 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -172.31 113.03 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.872 0.368 . . . . 74.430000000000007 110.924 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -94.87 120.08 34.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 61.439999999999998 110.901 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 56.6 t -125.54 123.73 65.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 75.219999999999999 111.142 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -138.29 117.85 13.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 73.420000000000002 110.835 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -136.8 133.26 35.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 75.310000000000002 110.835 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -120.31 133.89 55.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 73.209999999999994 110.892 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -124.61 118.61 26.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 71.340000000000003 110.889 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -127.71 103.74 7.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 64.150000000000006 110.89 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 t -110.99 113.4 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 74.150000000000006 111.124 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -107.45 136.83 46.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 73.540000000000006 110.886 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 62.35 35.06 15.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 74.340000000000003 110.853 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.25 125.56 34.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 71.409999999999997 111.109 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.73 72.47 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 73.329999999999998 110.875 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 5.3 p -139.69 139.7 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 72.129999999999995 111.126 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.63 -91.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 60.539999999999999 112.462 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 27.3 m -123.32 142.77 50.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 71.519999999999996 110.836 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -101.78 99.5 9.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 63.149999999999999 110.875 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.78 170.22 8.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 75.519999999999996 110.871 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.32 -128.07 26.75 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 73.219999999999999 112.503 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.22 113.71 27.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.747 0.308 . . . . 75.409999999999997 111.102 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.68 117.53 48.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 74.209999999999994 111.149 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 mt -131.47 120.12 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 62.020000000000003 111.134 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.01 -55.67 17.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.782 -0.723 . . . . 74.310000000000002 112.469 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.6 ' N ' ' CD1' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -155.54 151.09 27.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.885 0.374 . . . . 73.549999999999997 110.895 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 9.8 mtp -131.59 122.94 26.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 74.230000000000004 110.909 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 43.7 t -130.59 118.02 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 71.040000000000006 111.1 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.77 26.27 60.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 63.130000000000003 112.479 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.15 157.12 21.54 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 73.340000000000003 112.528 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 9.4 m -123.79 177.72 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 74.230000000000004 111.165 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 17.3 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 61.420000000000002 111.168 179.913 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.794 0.331 . . . . 75.430000000000007 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.23 84.83 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 65.329999999999998 111.067 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -51.06 -30.83 16.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 74.219999999999999 110.856 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -157.4 114.27 2.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 75.319999999999993 110.847 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.99 107.28 8.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 74.310000000000002 110.829 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -112.55 129.84 56.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 75.319999999999993 110.856 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -134.58 101.64 5.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 74.129999999999995 110.923 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 10.2 m -144.48 175.4 10.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 64.109999999999999 110.862 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.58 -10.17 48.05 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.815 -0.707 . . . . 73.549999999999997 112.497 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -172.37 112.88 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.834 0.35 . . . . 73.140000000000001 110.887 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.32 120.22 34.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 75.129999999999995 110.878 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 58.5 t -124.76 123.49 65.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 74.129999999999995 111.124 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -138.64 117.43 12.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 74.310000000000002 110.869 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -136.26 135.08 38.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 73.319999999999993 110.893 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -121.47 134.61 55.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 75.129999999999995 110.932 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 8.4 tptm -123.36 117.32 24.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 73.219999999999999 110.931 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -128.93 103.25 6.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 74.140000000000001 110.956 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 1.4 t -112.34 114.48 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 75.299999999999997 111.155 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -107.82 136.23 47.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 74.140000000000001 110.877 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 60.91 35.33 19.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 72.140000000000001 110.903 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.8 125.7 34.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 72.439999999999998 111.105 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.82 72.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 71.129999999999995 110.845 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 p -139.98 138.83 37.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 73.340000000000003 111.161 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.06 -91.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 73.239999999999995 112.482 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 26.7 m -123.26 142.36 51.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 72.219999999999999 110.835 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . 0.418 ' N ' HD21 ' H' ' 27' ' ' ASN . 1.3 m-80 -101.99 99.61 9.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 73.140000000000001 110.93 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.44 171.0 7.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 74.319999999999993 110.875 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.67 -128.8 29.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.73 . . . . 72.120000000000005 112.435 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.42 113.17 26.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 73.219999999999999 111.142 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.4 117.15 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 73.120000000000005 111.112 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 mt -130.42 119.64 46.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 74.439999999999998 111.168 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.89 -56.78 10.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.741 . . . . 75.099999999999994 112.506 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . 0.608 ' CD1' ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -153.89 149.25 27.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 73.319999999999993 110.934 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 10.7 mtp -129.87 122.26 28.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 73.239999999999995 110.86 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 45.6 t -131.61 117.84 36.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 75.109999999999999 111.163 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.27 26.88 57.08 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 72.439999999999998 112.445 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.28 156.95 21.09 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.735 -0.745 . . . . 75.329999999999998 112.505 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 6.3 m -123.55 177.12 4.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 74.140000000000001 111.119 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 17.0 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 74.129999999999995 111.088 179.952 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.818 0.342 . . . . 64.329999999999998 110.843 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.33 84.74 3.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 73.430000000000007 111.119 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -51.43 -30.49 19.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 74.409999999999997 110.866 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -157.28 114.13 3.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 75.040000000000006 110.892 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.02 107.68 8.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.230000000000004 110.883 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -113.53 130.17 56.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 72.120000000000005 110.853 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -134.16 101.81 5.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 72.109999999999999 110.883 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 10.2 m -145.05 174.68 10.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 73.140000000000001 110.857 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.48 -9.47 47.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.748 . . . . 63.109999999999999 112.532 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -172.22 113.12 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.857 0.36 . . . . 74.420000000000002 110.91 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -94.71 120.89 35.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 73.150000000000006 110.911 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 61.8 t -124.44 122.24 63.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 75.239999999999995 111.141 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -138.19 117.39 12.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.138 -0.483 . . . . 75.439999999999998 110.831 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -136.93 135.29 37.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 72.010000000000005 110.855 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -122.6 135.03 54.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 54.310000000000002 110.912 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -121.71 116.58 24.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 75.219999999999999 110.874 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -130.44 103.13 6.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 63.219999999999999 110.947 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -113.03 117.41 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 73.140000000000001 111.144 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' I' ' 19' ' ' PHE . 1.9 m-85 -109.08 136.38 48.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 75.310000000000002 110.915 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 59.67 34.23 22.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 74.129999999999995 110.911 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.38 126.36 35.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 61.399999999999999 111.069 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.31 72.44 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 74.549999999999997 110.883 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 p -140.49 137.72 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 75.319999999999993 111.154 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.28 -91.41 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 75.109999999999999 112.519 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 25.9 m -123.19 141.74 51.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.359 . . . . 74.040000000000006 110.86 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . 0.403 ' N ' HD21 ' I' ' 27' ' ' ASN . 1.4 m-80 -101.61 99.49 9.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 63.509999999999998 110.884 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.38 171.4 7.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 55.109999999999999 110.918 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.96 -129.06 30.93 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 62.43 112.472 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.7 113.27 26.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.76 0.314 . . . . 74.319999999999993 111.075 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.73 117.22 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 73.340000000000003 111.145 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 mt -129.75 119.26 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 74.099999999999994 111.114 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.85 -58.14 8.88 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 74.319999999999993 112.454 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . 0.619 ' N ' ' CD1' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -152.29 147.61 26.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.793 0.33 . . . . 73.409999999999997 110.949 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 11.1 mtp -130.55 121.88 26.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 74.219999999999999 110.893 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 47.1 t -132.66 117.38 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 74.310000000000002 111.148 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.98 26.72 58.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 45.310000000000002 112.499 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.86 157.98 21.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.791 -0.719 . . . . 73.109999999999999 112.492 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 5.2 m -123.52 178.11 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.36 . . . . 74.319999999999993 111.143 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 16.9 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 74.200000000000003 111.126 179.889 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.826 0.346 . . . . 74.329999999999998 110.841 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.12 83.49 3.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 74.340000000000003 111.072 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -51.74 -30.06 21.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 73.129999999999995 110.916 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -157.55 114.61 2.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 75.140000000000001 110.875 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.98 107.34 8.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 70.409999999999997 110.883 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -115.73 130.48 56.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 73.140000000000001 110.867 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -132.78 101.55 5.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 74.200000000000003 110.857 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 10.2 m -145.66 170.6 16.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 70.5 110.824 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.01 -8.86 53.45 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.695 -0.764 . . . . 75.200000000000003 112.486 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -171.69 112.15 0.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.814 0.34 . . . . 73.129999999999995 110.912 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.32 121.68 37.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 75.129999999999995 110.915 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 57.2 t -123.61 122.6 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.239999999999995 111.134 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -139.07 116.21 11.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 71.540000000000006 110.871 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -136.84 135.66 38.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 74.120000000000005 110.873 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -122.63 138.34 54.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.540000000000006 110.906 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -122.53 114.87 21.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 73.200000000000003 110.892 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -130.67 105.48 7.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 71.5 110.892 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -113.36 120.66 63.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 73.140000000000001 111.132 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -111.21 134.27 52.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 62.32 110.898 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 57.57 34.99 25.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 74.209999999999994 110.842 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.89 128.33 36.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 70.450000000000003 111.082 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.49 73.14 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 74.439999999999998 110.825 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 p -141.63 136.03 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 75.439999999999998 111.182 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.4 -89.41 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 73.150000000000006 112.48 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 26.2 m -125.26 139.63 53.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 73.420000000000002 110.857 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -100.61 99.52 10.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 62.32 110.891 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.15 171.37 7.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 74.519999999999996 110.871 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.78 -130.46 35.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 72.319999999999993 112.421 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.67 113.07 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 63.240000000000002 111.107 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -127.74 118.26 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 74.340000000000003 111.125 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 mt -126.16 120.45 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 74.430000000000007 111.144 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.23 -54.72 22.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 73.519999999999996 112.481 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . 0.564 ' N ' ' CD1' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -152.9 150.57 29.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.348 . . . . 72.200000000000003 110.892 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 10.8 mtp -134.25 120.18 19.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 75.140000000000001 110.895 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 46.5 t -134.46 115.35 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 74.340000000000003 111.132 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.2 27.33 57.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 75.019999999999996 112.467 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.09 159.82 21.26 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 74.409999999999997 112.47 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 10.3 m -123.86 177.78 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.37 . . . . 71.519999999999996 111.13 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 18.2 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 75.299999999999997 111.117 179.899 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.83 0.347 . . . . 52.310000000000002 110.84 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.0 91.62 3.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 74.140000000000001 111.118 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.91 -38.73 83.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 65.420000000000002 110.865 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -146.98 112.32 5.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 72.439999999999998 110.907 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.02 108.58 6.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 74.349999999999994 110.894 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -110.6 130.25 55.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 63.340000000000003 110.808 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -135.03 101.5 4.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 73.200000000000003 110.861 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' B' ' 8' ' ' SER . 54.9 p -148.8 177.38 9.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 75.310000000000002 110.883 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.97 -10.58 45.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 61.43 112.521 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.38 115.43 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 73.400000000000006 110.919 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -107.19 120.66 42.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 73.519999999999996 110.864 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 36.8 t -132.88 113.99 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 72.519999999999996 111.107 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 67.4 m170 -114.0 126.35 55.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 70.239999999999995 110.853 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -136.53 119.22 16.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 73.530000000000001 110.881 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.43 133.67 45.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 74.219999999999999 110.941 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.84 116.59 18.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 75.040000000000006 110.885 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -112.86 112.59 24.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 74.109999999999999 110.92 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.6 m -115.88 120.53 65.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 74.400000000000006 111.107 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 m-30 -102.99 114.98 29.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 72.209999999999994 110.87 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 50.44 74.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 64.420000000000002 110.888 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.75 130.86 39.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 71.120000000000005 111.064 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 63.09 88.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.209999999999994 110.854 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.7 p -126.13 137.28 58.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 74.329999999999998 111.187 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.07 -45.68 96.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.758 . . . . 73.540000000000006 112.497 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 m -166.97 133.71 2.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.364 . . . . 71.0 110.842 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -102.08 101.21 11.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 70.549999999999997 110.909 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.81 159.55 20.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 65.310000000000002 110.895 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.95 -130.64 42.41 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 72.310000000000002 112.505 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.76 114.4 28.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.761 0.315 . . . . 74.030000000000001 111.097 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -121.5 111.61 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 75.129999999999995 111.114 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -128.5 111.26 23.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.310000000000002 111.106 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -45.21 -52.39 8.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.753 -0.737 . . . . 71.209999999999994 112.446 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.59 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -158.27 155.4 28.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.775 0.322 . . . . 74.400000000000006 110.928 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -133.62 126.06 30.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 72.200000000000003 110.931 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.2 p -134.49 111.64 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 70.0 111.138 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.63 18.49 70.13 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.724 . . . . 71.450000000000003 112.469 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.46 -165.19 27.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 54.100000000000001 112.522 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.8 p -168.57 142.84 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.881 0.372 . . . . 64.439999999999998 111.154 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.8 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 65.549999999999997 111.133 179.94 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.793 0.33 . . . . 73.530000000000001 110.921 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.81 91.62 3.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 74.450000000000003 111.09 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -59.27 -37.21 77.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 64.540000000000006 110.887 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -148.34 111.89 5.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 74.310000000000002 110.882 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.73 108.32 7.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 73.530000000000001 110.853 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -110.97 129.39 55.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 73.129999999999995 110.875 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -134.38 101.19 4.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 70.400000000000006 110.853 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' C' ' 8' ' ' SER . 55.0 p -148.9 176.82 10.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 71.230000000000004 110.85 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.32 -10.98 43.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.684 -0.77 . . . . 74.439999999999998 112.498 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.44 113.88 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 73.420000000000002 110.897 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -104.74 120.33 41.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 71.310000000000002 110.88 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 36.1 t -131.37 113.87 24.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 74.409999999999997 111.136 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 67.5 m170 -114.53 126.36 54.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 74.510000000000005 110.848 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -136.61 120.03 16.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 73.140000000000001 110.8 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.06 133.13 45.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 71.310000000000002 110.923 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.85 118.73 25.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 74.099999999999994 110.917 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -117.58 111.73 19.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 65.510000000000005 110.944 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 29.4 m -117.43 120.98 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 73.450000000000003 111.131 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -101.86 116.65 33.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 73.230000000000004 110.855 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 50.64 73.22 0.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 75.140000000000001 110.929 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.49 131.32 37.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 70.239999999999995 111.092 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.61 88.18 0.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 71.219999999999999 110.888 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 12.4 p -127.25 135.6 63.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 74.340000000000003 111.159 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.87 -44.5 97.35 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 74.209999999999994 112.46 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 9.4 m -166.59 133.75 2.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.908 0.385 . . . . 74.409999999999997 110.835 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -102.47 101.1 11.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 72.230000000000004 110.871 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.1 160.05 20.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 74.439999999999998 110.876 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.88 -131.12 39.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 73.140000000000001 112.468 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.79 114.19 28.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.74 0.305 . . . . 64.010000000000005 111.123 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -122.31 111.37 30.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 75.25 111.154 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 mt -127.03 112.97 30.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 74.129999999999995 111.146 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.2 -54.26 6.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.763 . . . . 74.439999999999998 112.501 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.582 ' N ' ' CD1' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -155.09 153.65 31.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.344 . . . . 71.150000000000006 110.873 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.8 mtp -128.13 122.44 31.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 72.140000000000001 110.861 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 3.4 p -137.0 111.61 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 75.019999999999996 111.124 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.64 18.67 66.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 52.520000000000003 112.488 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.09 -165.55 27.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.7 -0.762 . . . . 75.340000000000003 112.454 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 6.9 p -168.15 141.53 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.917 0.389 . . . . 64.200000000000003 111.104 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 24.3 m . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 72.319999999999993 111.139 179.936 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.837 0.351 . . . . 62.229999999999997 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.29 92.02 3.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 73.420000000000002 111.116 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -59.93 -36.21 76.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 74.049999999999997 110.927 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -148.29 111.87 5.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 74.310000000000002 110.888 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.26 107.87 8.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 75.430000000000007 110.867 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -112.27 128.75 56.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 72.420000000000002 110.864 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -133.71 101.58 5.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 74.230000000000004 110.847 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 8' ' ' SER . . . . . 0.431 ' O ' ' HA ' ' D' ' 8' ' ' SER . 54.8 p -148.78 176.38 10.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 75.129999999999995 110.838 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.73 -10.83 42.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 73.219999999999999 112.485 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.47 113.6 0.28 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.817 0.341 . . . . 73.230000000000004 110.941 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -105.02 120.7 42.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 71.420000000000002 110.851 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 38.3 t -131.99 114.16 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 74.439999999999998 111.127 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -114.14 126.78 55.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 74.239999999999995 110.872 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -136.29 120.35 17.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 75.219999999999999 110.863 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.76 132.87 44.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 72.530000000000001 110.939 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.92 119.31 28.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 71.140000000000001 110.877 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -119.41 111.01 17.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 73.420000000000002 110.879 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 26.8 m -117.87 121.5 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 74.120000000000005 111.162 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 -101.77 115.04 29.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 75.140000000000001 110.91 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 13.0 m-30 51.77 73.11 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 72.230000000000004 110.884 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.64 130.81 38.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 44.509999999999998 111.095 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.49 87.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 75.200000000000003 110.875 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 12.9 p -126.94 135.78 62.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 75.120000000000005 111.115 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.87 -44.89 96.76 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.702 -0.761 . . . . 73.129999999999995 112.468 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 9.6 m -166.5 133.7 2.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 73.439999999999998 110.852 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -102.48 101.02 11.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 74.400000000000006 110.847 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.93 160.22 19.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 74.450000000000003 110.922 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.42 -131.26 38.19 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 71.349999999999994 112.471 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.86 113.61 26.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 72.409999999999997 111.061 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -122.69 111.46 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 72.409999999999997 111.086 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mt -126.15 113.3 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 72.150000000000006 111.157 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -43.61 -55.0 5.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.8 -0.714 . . . . 74.040000000000006 112.482 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.575 ' CD1' ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -153.54 152.58 31.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 72.530000000000001 110.922 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -127.96 121.2 29.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 73.230000000000004 110.849 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 3.3 p -138.08 112.4 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 75.310000000000002 111.168 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.89 19.29 65.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 73.0 112.498 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.84 -165.17 28.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 60.119999999999997 112.506 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 6.5 p -167.88 141.11 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.914 0.388 . . . . 73.340000000000003 111.111 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 25.0 m . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 75.230000000000004 111.137 179.925 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.787 0.327 . . . . 75.209999999999994 110.836 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.35 91.99 3.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 70.5 111.085 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -59.64 -35.81 75.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 74.420000000000002 110.889 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -148.31 111.63 4.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 75.540000000000006 110.9 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.54 107.58 8.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 75.209999999999994 110.87 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -113.58 128.2 56.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 75.439999999999998 110.896 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -132.73 101.59 5.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 71.299999999999997 110.882 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 8' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' C' ' 8' ' ' SER . 55.0 p -148.74 175.41 11.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 65.439999999999998 110.905 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.91 -10.53 42.71 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.807 -0.711 . . . . 72.439999999999998 112.525 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.28 113.88 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.354 . . . . 65.430000000000007 110.923 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -106.48 121.17 43.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 74.310000000000002 110.922 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 38.8 t -132.6 114.41 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 60.43 111.137 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -114.1 126.54 55.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 75.200000000000003 110.889 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -135.3 121.4 20.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 74.310000000000002 110.895 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.55 133.22 43.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 73.150000000000006 110.918 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.6 118.95 28.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 74.420000000000002 110.912 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -120.68 110.56 16.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 74.340000000000003 110.924 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 27.4 m -117.67 122.57 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 73.310000000000002 111.148 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 0.404 ' CD2' HD11 ' D' ' 34' ' ' LEU . 3.1 m-30 -102.16 112.94 25.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 74.340000000000003 110.903 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 52.67 72.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 65.219999999999999 110.866 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.54 130.4 38.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 55.439999999999998 111.079 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.49 87.31 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 73.450000000000003 110.819 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 12.5 p -126.83 135.73 62.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 75.049999999999997 111.151 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.47 -45.03 96.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 70.239999999999995 112.467 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 9.5 m -166.4 133.3 2.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.865 0.364 . . . . 72.540000000000006 110.832 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -102.41 100.5 10.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 73.319999999999993 110.902 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.96 160.53 19.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 74.129999999999995 110.92 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.85 -131.34 36.82 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.736 -0.745 . . . . 74.310000000000002 112.513 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.84 113.54 26.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.72 0.295 . . . . 74.129999999999995 111.121 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -122.99 111.44 29.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 74.340000000000003 111.128 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mt -125.44 114.01 37.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 73.010000000000005 111.095 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.33 -55.98 5.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 72.129999999999995 112.475 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.556 ' N ' ' CD1' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -151.42 151.97 32.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.766 0.317 . . . . 74.409999999999997 110.936 -179.887 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 3.0 mtp -128.52 119.93 25.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 74.329999999999998 110.888 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 3.2 p -138.36 111.6 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 74.040000000000006 111.112 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.14 19.78 66.4 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 71.030000000000001 112.499 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.45 -165.18 28.46 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.692 -0.766 . . . . 64.430000000000007 112.431 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 6.3 p -168.15 141.88 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.868 0.366 . . . . 55.43 111.115 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 25.8 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 75.140000000000001 111.123 179.912 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.875 0.369 . . . . 74.409999999999997 110.815 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.01 91.54 3.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 63.509999999999998 111.081 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -58.53 -35.36 72.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 54.409999999999997 110.882 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -148.89 113.37 5.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 73.450000000000003 110.901 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.75 106.49 8.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 63.329999999999998 110.851 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -114.31 128.34 56.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 70.200000000000003 110.905 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -131.34 100.67 5.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 64.140000000000001 110.917 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 54.8 p -149.54 170.86 17.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 60.219999999999999 110.863 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.94 -9.21 49.59 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.727 -0.749 . . . . 73.329999999999998 112.526 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -171.02 111.97 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 74.439999999999998 110.91 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -109.29 120.5 42.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 65.409999999999997 110.896 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 34.1 t -132.16 116.72 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 73.319999999999993 111.102 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 66.4 m170 -114.54 126.47 54.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 73.120000000000005 110.828 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -133.02 123.13 25.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 75.129999999999995 110.818 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.87 134.22 42.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 64.349999999999994 110.89 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.96 117.27 24.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 74.25 110.911 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -120.82 107.38 12.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 70.040000000000006 110.89 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 30.9 m -114.23 124.36 70.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 74.030000000000001 111.128 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -102.68 112.92 25.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 75.400000000000006 110.898 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 51.89 71.93 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 74.230000000000004 110.87 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.31 131.07 38.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 75.099999999999994 111.099 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.1 87.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 73.230000000000004 110.864 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 14.1 p -127.42 135.15 64.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 65.319999999999993 111.137 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.75 -45.09 96.47 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 72.430000000000007 112.479 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 9.4 m -166.38 132.52 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 73.439999999999998 110.873 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -102.1 100.02 10.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 71.140000000000001 110.883 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.94 161.26 18.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 65.109999999999999 110.88 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.5 -131.53 35.01 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 73.230000000000004 112.48 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.57 113.65 26.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.312 . . . . 75.010000000000005 111.122 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -122.05 110.36 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 65.219999999999999 111.125 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -121.72 110.79 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 75.420000000000002 111.156 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.09 -52.15 7.07 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 72.329999999999998 112.473 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.514 ' N ' ' CD1' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -152.23 152.85 32.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.813 0.339 . . . . 75.140000000000001 110.93 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.1 mtp -130.33 119.38 22.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 74.219999999999999 110.921 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 3.5 p -141.98 112.09 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 70.310000000000002 111.132 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.23 19.49 61.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.784 -0.722 . . . . 75.400000000000006 112.468 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.6 -165.64 29.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.686 -0.768 . . . . 63.32 112.498 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 6.8 p -167.82 141.85 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 73.329999999999998 111.161 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 28.0 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 72.319999999999993 111.123 179.933 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.833 0.349 . . . . 75.510000000000005 110.875 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.59 91.05 3.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 75.209999999999994 111.082 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.77 -39.84 78.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 62.119999999999997 110.881 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -147.31 113.42 5.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 75.209999999999994 110.905 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.14 108.72 6.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 74.319999999999993 110.877 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -110.13 129.72 55.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 73.400000000000006 110.847 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -134.76 101.82 5.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 75.329999999999998 110.817 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 54.9 p -148.72 177.08 9.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 75.209999999999994 110.838 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.34 -10.18 45.53 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 63.409999999999997 112.465 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.36 115.46 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.885 0.374 . . . . 73.209999999999994 110.926 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -106.54 120.25 41.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 72.109999999999999 110.91 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 38.8 t -132.56 113.95 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 74.540000000000006 111.117 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 66.9 m170 -114.45 127.04 55.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 73.109999999999999 110.9 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -137.15 119.32 15.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 74.109999999999999 110.839 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.6 133.18 44.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 75.329999999999998 110.894 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.24 116.62 18.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 74.120000000000005 110.87 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -113.16 112.78 24.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 74.310000000000002 110.903 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 27.5 m -115.95 120.66 65.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 64.430000000000007 111.159 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -102.79 115.21 30.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 71.420000000000002 110.886 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 50.46 74.08 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 73.329999999999998 110.866 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.01 130.71 40.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 72.430000000000007 111.106 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.66 88.12 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 65.040000000000006 110.872 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 9.4 p -125.98 137.0 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 71.549999999999997 111.144 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.65 -45.5 96.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 63.439999999999998 112.5 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 10.1 m -166.34 133.0 2.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.845 0.355 . . . . 73.510000000000005 110.893 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -100.33 99.82 10.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 73.040000000000006 110.893 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.44 160.09 19.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 71.400000000000006 110.917 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.38 -132.58 44.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.701 -0.761 . . . . 61.25 112.538 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.61 114.18 27.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.308 . . . . 74.319999999999993 111.099 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -120.53 113.23 39.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 73.340000000000003 111.14 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 mt -130.3 110.81 19.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 63.439999999999998 111.118 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.78 -53.1 7.42 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 53.140000000000001 112.482 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.59 ' N ' ' CD1' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -158.52 154.84 27.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 74.329999999999998 110.891 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -133.39 125.52 29.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.120000000000005 110.911 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 3.3 p -134.52 112.24 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 73.129999999999995 111.149 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.39 17.77 70.83 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.667 -0.778 . . . . 74.549999999999997 112.485 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.91 -165.11 26.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 70.099999999999994 112.486 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 7.7 p -168.96 144.31 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.382 . . . . 72.209999999999994 111.1 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 28.6 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 70.109999999999999 111.138 179.905 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.841 0.353 . . . . 72.510000000000005 110.865 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.33 90.67 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 73.329999999999998 111.084 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.89 -39.89 78.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 64.340000000000003 110.9 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -147.87 113.02 5.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 70.140000000000001 110.868 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.47 108.65 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 75.310000000000002 110.838 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -110.78 128.97 55.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 73.340000000000003 110.898 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -134.1 101.62 5.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 74.239999999999995 110.843 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 8' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' H' ' 8' ' ' SER . 55.6 p -148.83 176.32 10.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 74.150000000000006 110.823 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.31 -10.72 44.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 64.209999999999994 112.459 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.4 113.74 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.811 0.339 . . . . 70.450000000000003 110.889 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -103.98 119.98 40.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 73.150000000000006 110.882 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 37.6 t -131.04 113.71 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 61.119999999999997 111.139 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -114.56 127.14 55.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 74.450000000000003 110.911 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -137.5 119.72 15.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 75.120000000000005 110.855 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.99 132.93 45.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 74.5 110.893 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.4 118.03 23.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 72.129999999999995 110.932 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -117.24 111.92 20.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 71.439999999999998 110.946 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 30.3 m -117.54 121.17 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 73.219999999999999 111.13 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -101.94 116.51 32.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 74.109999999999999 110.874 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 51.15 73.28 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 73.230000000000004 110.899 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.68 131.2 37.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 71.439999999999998 111.118 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.78 88.56 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 74.530000000000001 110.871 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 12.2 p -127.35 135.67 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 75.109999999999999 111.143 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.18 -44.32 97.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.756 . . . . 73.010000000000005 112.524 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 11.4 m -166.38 133.04 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 64.400000000000006 110.852 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -101.08 100.17 10.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 71.409999999999997 110.864 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.54 160.05 19.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 72.340000000000003 110.895 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.47 -132.91 41.73 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 71.450000000000003 112.503 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.6 114.21 27.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 71.219999999999999 111.085 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.86 112.07 33.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 75.329999999999998 111.174 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 mt -127.49 112.8 29.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 73.319999999999993 111.111 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.17 -54.84 6.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 75.340000000000003 112.492 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.582 ' N ' ' CD1' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -154.94 153.51 31.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 72.420000000000002 110.89 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -128.24 122.41 31.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 73.209999999999994 110.853 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 3.5 p -137.14 112.62 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 73.349999999999994 111.122 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.23 18.35 64.95 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 62.420000000000002 112.459 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.23 -165.46 27.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.741 . . . . 74.430000000000007 112.47 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 6.9 p -168.77 142.83 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.897 0.38 . . . . 75.219999999999999 111.09 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 25.5 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 74.0 111.106 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.756 0.313 . . . . 72.319999999999993 110.869 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.89 91.23 3.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 73.349999999999994 111.152 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.9 -38.83 76.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 73.239999999999995 110.921 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -147.91 113.12 5.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 62.520000000000003 110.856 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.45 108.19 8.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 73.049999999999997 110.859 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -111.73 128.35 56.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 74.430000000000007 110.871 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -133.35 101.63 5.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 72.349999999999994 110.848 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 8' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' G' ' 8' ' ' SER . 54.7 p -148.68 175.97 10.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 70.239999999999995 110.856 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.67 -10.61 43.26 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.775 -0.726 . . . . 74.219999999999999 112.507 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.36 113.59 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 73.239999999999995 110.948 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -104.29 120.16 40.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 71.299999999999997 110.925 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 37.1 t -131.33 114.06 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 70.510000000000005 111.109 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -114.49 127.03 55.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 75.010000000000005 110.846 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -136.95 120.21 16.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 72.400000000000006 110.839 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.59 132.89 44.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 73.439999999999998 110.939 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.53 118.26 25.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 72.439999999999998 110.903 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -118.74 111.33 18.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 71.230000000000004 110.892 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 30.9 m -118.02 121.68 67.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 75.310000000000002 111.17 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 -101.83 114.69 28.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 73.439999999999998 110.888 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 13.2 m-30 52.43 72.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 73.010000000000005 110.897 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.49 131.06 37.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 74.450000000000003 111.086 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.29 88.09 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 62.329999999999998 110.855 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 12.6 p -126.9 135.26 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 70.040000000000006 111.156 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.86 -44.47 97.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 75.340000000000003 112.462 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 10.4 m -166.38 132.81 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 61.130000000000003 110.888 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -100.82 99.97 10.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 74.340000000000003 110.93 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.5 160.23 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 73.409999999999997 110.832 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.07 -133.48 39.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 73.129999999999995 112.483 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.53 113.78 26.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.765 0.317 . . . . 71.319999999999993 111.081 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.96 112.72 36.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 72.319999999999993 111.116 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mt -126.91 113.08 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 75.409999999999997 111.162 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -43.67 -55.75 5.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 74.420000000000002 112.496 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . 0.578 ' CD1' ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -153.22 152.37 31.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.806 0.336 . . . . 74.140000000000001 110.916 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -127.39 120.97 29.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 72.239999999999995 110.901 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 3.4 p -137.76 112.19 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 72.340000000000003 111.103 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.93 18.83 64.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.792 -0.718 . . . . 43.219999999999999 112.474 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.51 -165.65 28.46 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.727 -0.749 . . . . 72.239999999999995 112.48 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 6.4 p -168.54 142.33 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.348 . . . . 74.239999999999995 111.142 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 26.3 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 75.299999999999997 111.127 179.958 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.838 0.351 . . . . 74.040000000000006 110.892 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.83 91.29 3.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 54.210000000000001 111.106 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.68 -38.56 75.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 74.420000000000002 110.866 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -148.03 113.02 5.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 74.430000000000007 110.858 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.05 108.01 9.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 73.010000000000005 110.861 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -112.95 127.78 56.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 63.329999999999998 110.848 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -132.49 101.69 5.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 73.030000000000001 110.9 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 8' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' H' ' 8' ' ' SER . 54.8 p -148.91 175.03 11.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.030000000000001 110.833 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.85 -10.3 43.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 53.420000000000002 112.506 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.34 113.78 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 75.409999999999997 110.899 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -105.43 120.88 42.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 70.239999999999995 110.924 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 38.8 t -131.85 114.06 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 70.109999999999999 111.132 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 67.3 m170 -114.24 126.73 55.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 75.400000000000006 110.848 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -136.16 120.97 18.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 75.150000000000006 110.869 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.35 133.07 43.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 72.519999999999996 110.862 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.03 118.46 27.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 75.430000000000007 110.905 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -120.35 110.74 16.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 74.099999999999994 110.896 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . 0.402 ' HA ' ' CG2' ' J' ' 18' ' ' VAL . 27.2 m -117.69 122.76 70.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 73.319999999999993 111.133 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . 0.412 ' CD2' HD11 ' I' ' 34' ' ' LEU . 3.1 m-30 -102.15 113.05 25.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 72.120000000000005 110.893 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 52.9 72.11 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 75.319999999999993 110.846 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.82 130.8 38.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 71.200000000000003 111.07 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.32 87.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 55.219999999999999 110.885 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 11.9 p -127.11 135.35 63.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 72.209999999999994 111.083 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.17 -44.8 97.22 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.743 -0.741 . . . . 70.209999999999994 112.466 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 9.5 m -166.52 132.78 2.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 74.420000000000002 110.876 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -100.83 99.84 10.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 75.409999999999997 110.897 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.57 160.36 19.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 74.239999999999995 110.94 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.77 -133.24 37.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 73.129999999999995 112.476 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.57 113.7 26.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 54.32 111.111 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -122.08 112.53 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 75.129999999999995 111.165 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mt -126.2 113.33 33.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 75.030000000000001 111.134 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.13 -56.79 5.15 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.727 -0.749 . . . . 50.43 112.463 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . 0.564 ' N ' ' CD1' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -151.26 151.56 32.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 74.140000000000001 110.908 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 3.0 mtp -127.87 120.17 27.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 75.120000000000005 110.861 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 3.2 p -138.58 111.52 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 71.420000000000002 111.135 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.46 19.33 66.59 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.716 -0.754 . . . . 64.010000000000005 112.451 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.26 -165.36 28.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 75.019999999999996 112.476 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 p -168.65 142.51 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.37 . . . . 73.450000000000003 111.145 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 70.329999999999998 111.159 179.901 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.867 0.365 . . . . 74.299999999999997 110.838 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.23 91.2 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 72.140000000000001 111.116 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -57.7 -37.88 74.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 73.239999999999995 110.93 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -148.35 114.07 5.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 75.450000000000003 110.874 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.16 107.24 8.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 64.349999999999994 110.837 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -113.69 127.27 55.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 75.420000000000002 110.892 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -130.64 101.33 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 74.099999999999994 110.853 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 55.1 p -150.16 170.22 19.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 62.210000000000001 110.887 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.87 -8.98 50.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 65.340000000000003 112.492 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -170.94 111.56 0.37 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.875 0.369 . . . . 73.150000000000006 110.919 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -107.76 120.37 42.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.51 . . . . 75.200000000000003 110.88 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 33.5 t -131.57 116.34 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 74.340000000000003 111.175 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 67.3 m170 -114.52 126.61 55.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 74.430000000000007 110.863 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -133.6 122.32 23.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 72.209999999999994 110.848 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.06 133.62 43.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 75.310000000000002 110.9 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.47 116.12 21.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 63.219999999999999 110.874 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -120.37 107.87 13.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 74.019999999999996 110.934 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . 0.402 ' CG2' ' HA ' ' I' ' 18' ' ' VAL . 30.8 m -114.54 124.19 70.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 73.120000000000005 111.125 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' J' ' 19' ' ' PHE . 2.5 m-30 -102.57 112.67 25.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 75.5 110.866 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 52.26 71.87 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 71.329999999999998 110.901 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.74 131.5 39.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 73.120000000000005 111.123 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.78 87.17 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 60.200000000000003 110.901 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 12.9 p -127.83 135.2 63.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 72.129999999999995 111.139 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.11 -45.05 96.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 64.439999999999998 112.483 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 8.6 m -166.88 132.17 2.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.92 0.39 . . . . 73.099999999999994 110.816 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 -100.61 99.81 10.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 64.340000000000003 110.891 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.49 161.24 18.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 75.099999999999994 110.894 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.17 -133.61 36.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 71.439999999999998 112.5 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.32 113.72 26.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.744 0.306 . . . . 72.120000000000005 111.06 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -121.75 112.42 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 74.420000000000002 111.168 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 mt -122.94 111.1 28.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 72.150000000000006 111.13 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -43.83 -53.25 6.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 71.319999999999993 112.495 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . 0.508 ' N ' ' CD1' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -151.78 152.97 33.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.821 0.343 . . . . 75.129999999999995 110.89 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 3.1 mtp -129.76 119.52 23.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 64.310000000000002 110.906 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 3.4 p -142.37 111.67 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 75.310000000000002 111.128 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.77 19.55 63.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 72.219999999999999 112.507 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.88 -165.55 29.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.728 -0.749 . . . . 74.340000000000003 112.467 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 6.5 p -168.29 141.74 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 73.150000000000006 111.127 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 71.450000000000003 111.151 179.931 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.84 0.353 . . . . 74.239999999999995 110.857 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.13 78.44 1.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 62.520000000000003 111.112 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -53.78 -34.14 58.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 70.450000000000003 110.878 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -150.82 112.49 4.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 55.130000000000003 110.898 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -137.81 108.03 6.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 73.230000000000004 110.861 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.27 130.01 55.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 70.310000000000002 110.897 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -135.75 100.69 4.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 63.450000000000003 110.861 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -156.03 127.86 7.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 75.430000000000007 110.776 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.07 -26.64 12.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 73.120000000000005 112.481 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -146.03 109.24 4.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.846 0.355 . . . . 75.109999999999999 110.968 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -109.69 119.51 39.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 72.450000000000003 110.897 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 p -139.33 125.53 23.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 71.129999999999995 111.136 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -125.15 112.86 16.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 63.009999999999998 110.868 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -116.35 126.91 54.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 75.010000000000005 110.829 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -124.75 132.79 53.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 75.129999999999995 110.947 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.45 117.68 16.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 72.129999999999995 110.895 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -121.7 114.97 21.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 72.349999999999994 110.897 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.5 t -109.49 112.6 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 74.439999999999998 111.135 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.401 ' CG ' HD11 ' A' ' 34' ' ' LEU . 13.0 m-30 -102.69 106.16 16.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 74.420000000000002 110.863 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 59.04 91.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 71.430000000000007 110.898 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.48 143.43 46.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 61.310000000000002 111.122 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.7 t0 53.06 71.83 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 70.400000000000006 110.867 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.0 p -112.61 129.3 68.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 73.239999999999995 111.12 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.02 -36.39 42.98 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.8 -0.714 . . . . 62.43 112.498 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.86 140.14 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.927 0.394 . . . . 73.329999999999998 110.809 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -98.59 103.86 15.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 72.140000000000001 110.865 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.6 155.62 25.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 74.310000000000002 110.916 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.83 -136.81 50.45 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.774 -0.727 . . . . 53.240000000000002 112.449 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.84 111.57 23.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.734 0.302 . . . . 72.530000000000001 111.07 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.408 HG13 HG22 ' B' ' 31' ' ' ILE . 0.0 OUTLIER -122.58 117.64 52.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 65.349999999999994 111.138 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 3.4 mt -132.92 118.86 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 73.219999999999999 111.118 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.05 -49.95 7.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 72.530000000000001 112.478 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.573 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -158.6 155.98 29.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 75.209999999999994 110.914 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 16.0 mtp -131.68 122.81 26.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 75.430000000000007 110.904 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 81.1 t -134.26 114.87 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 72.219999999999999 111.11 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.51 16.59 55.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 74.349999999999994 112.497 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.61 -174.39 22.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.688 -0.768 . . . . 72.099999999999994 112.479 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.2 p -155.93 149.39 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 72.420000000000002 111.132 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.1 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 74.430000000000007 111.13 179.935 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.77 0.319 . . . . 63.539999999999999 110.875 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.3 79.29 1.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 75.319999999999993 111.087 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -53.16 -31.13 41.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 74.420000000000002 110.831 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -153.8 112.87 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.219999999999999 110.914 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -135.7 108.73 7.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 73.329999999999998 110.906 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.41 131.1 55.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 71.25 110.851 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -136.22 101.69 4.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.319999999999993 110.836 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' C' ' 8' ' ' SER . 2.8 p -156.55 127.2 6.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 75.450000000000003 110.835 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.93 -26.69 11.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 74.219999999999999 112.508 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.35 107.08 3.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 73.409999999999997 110.935 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -108.04 119.59 39.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 71.209999999999994 110.873 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 3.5 p -137.25 126.12 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 75.310000000000002 111.15 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -123.66 112.92 17.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 74.109999999999999 110.867 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -116.06 126.25 53.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 74.400000000000006 110.812 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -124.26 132.62 53.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 72.200000000000003 110.924 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.67 117.88 20.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 72.439999999999998 110.891 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -122.05 111.86 17.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 73.140000000000001 110.88 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 93.1 t -108.42 111.42 35.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 75.450000000000003 111.144 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 10.3 m-30 -102.88 104.61 14.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 73.420000000000002 110.903 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 58.81 91.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 75.519999999999996 110.865 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.93 143.89 45.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 74.230000000000004 111.083 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 18.6 t0 52.49 72.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 73.25 110.878 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 8.1 p -113.54 127.94 70.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 75.040000000000006 111.115 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.13 -34.35 46.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.795 -0.717 . . . . 72.129999999999995 112.472 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.59 140.51 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.91 0.386 . . . . 63.530000000000001 110.835 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -99.18 102.01 13.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 71.340000000000003 110.892 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.13 159.57 19.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 73.099999999999994 110.919 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.34 -133.15 51.45 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.745 -0.741 . . . . 63.219999999999999 112.468 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.31 112.21 24.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.782 0.325 . . . . 74.140000000000001 111.087 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.46 HG12 ' HA ' ' C' ' 31' ' ' ILE . 0.0 OUTLIER -118.77 114.13 43.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 73.340000000000003 111.121 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 32' ' ' ILE . 3.4 mt -131.35 118.33 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 72.140000000000001 111.128 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.42 -49.12 20.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 65.519999999999996 112.544 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.567 ' N ' ' CD1' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -157.93 154.08 27.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.759 0.314 . . . . 75.25 110.979 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 8.8 mtp -128.69 121.49 28.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 75.319999999999993 110.895 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 90.5 t -136.3 114.0 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 74.439999999999998 111.14 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.78 17.51 42.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 64.239999999999995 112.483 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.71 -174.8 23.05 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.723 -0.751 . . . . 74.030000000000001 112.471 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 13.3 p -156.13 151.07 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 73.329999999999998 111.147 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.5 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 74.140000000000001 111.136 179.932 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.803 0.335 . . . . 73.409999999999997 110.833 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.55 79.73 1.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 75.540000000000006 111.132 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 -52.93 -31.12 38.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 74.129999999999995 110.93 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -152.69 113.1 4.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 75.329999999999998 110.925 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -134.62 108.96 8.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 74.439999999999998 110.846 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.01 130.84 55.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 72.310000000000002 110.866 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -135.64 102.15 5.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 73.349999999999994 110.827 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 8' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' B' ' 8' ' ' SER . 2.8 p -156.23 127.18 6.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 72.299999999999997 110.864 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.8 -27.16 12.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 70.310000000000002 112.499 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.82 107.12 3.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.864 0.364 . . . . 75.150000000000006 110.974 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -107.58 119.93 40.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 72.430000000000007 110.909 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 p -136.39 126.71 40.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 74.340000000000003 111.128 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -122.76 113.01 18.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 74.310000000000002 110.873 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -115.48 125.76 53.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 75.140000000000001 110.824 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -125.48 132.52 52.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 75.0 110.938 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.02 119.06 23.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 74.230000000000004 110.915 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -123.27 110.05 14.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 75.329999999999998 110.957 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 93.9 t -107.98 111.18 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 63.340000000000003 111.081 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 m-30 -102.6 104.4 14.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 74.319999999999993 110.867 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 56.42 91.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 75.5 110.882 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.77 144.06 46.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 75.230000000000004 111.051 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 18.6 t0 52.82 72.56 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 73.040000000000006 110.852 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 8.0 p -113.91 127.75 71.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 72.129999999999995 111.158 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.63 -33.86 42.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 75.340000000000003 112.503 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.34 139.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.352 . . . . 72.310000000000002 110.884 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -99.17 100.65 11.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 61.229999999999997 110.848 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.34 159.74 19.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 73.400000000000006 110.883 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.26 -131.49 52.08 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 72.219999999999999 112.49 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.69 112.09 24.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.749 0.309 . . . . 65.299999999999997 111.078 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . 0.514 HG12 ' HA ' ' D' ' 31' ' ' ILE . 0.0 OUTLIER -116.71 111.93 37.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 73.140000000000001 111.118 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.61 117.84 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 74.409999999999997 111.102 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.23 -49.04 31.97 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.676 -0.773 . . . . 71.239999999999995 112.51 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.563 ' CD1' ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -156.81 152.93 27.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 72.310000000000002 110.931 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 11.3 mtp -128.37 119.79 25.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 74.200000000000003 110.868 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 91.0 t -137.3 113.93 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 75.040000000000006 111.12 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.9 18.19 38.97 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 71.219999999999999 112.451 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -105.73 -174.49 23.86 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 70.209999999999994 112.49 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 p -156.32 152.1 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 65.450000000000003 111.118 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 74.209999999999994 111.178 179.926 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.802 0.334 . . . . 75.0 110.853 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.99 79.78 1.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 74.109999999999999 111.121 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -52.56 -31.72 37.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 74.400000000000006 110.913 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -152.35 112.88 4.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 74.299999999999997 110.833 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -133.11 108.57 8.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 71.400000000000006 110.913 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.82 129.93 56.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 74.120000000000005 110.889 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -134.21 101.93 5.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 54.32 110.899 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -156.27 127.24 6.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 55.119999999999997 110.871 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.9 -26.76 19.28 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.71 -0.757 . . . . 74.409999999999997 112.467 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.96 106.86 3.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.812 0.339 . . . . 72.340000000000003 110.942 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -108.23 120.65 42.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 74.430000000000007 110.872 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -136.42 127.08 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 74.099999999999994 111.142 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -122.03 113.08 19.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 75.409999999999997 110.853 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -115.23 125.59 53.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 74.129999999999995 110.871 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -127.0 132.76 50.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 74.129999999999995 110.897 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.74 120.65 29.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 75.450000000000003 110.899 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -124.75 108.91 12.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 75.239999999999995 110.903 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 92.6 t -108.03 111.5 36.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 75.219999999999999 111.125 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 0.402 ' CG ' HD11 ' D' ' 34' ' ' LEU . 7.9 m-30 -102.22 102.8 13.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 75.340000000000003 110.867 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 56.87 91.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 74.439999999999998 110.895 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.89 144.28 46.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 71.439999999999998 111.064 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 18.8 t0 52.9 72.77 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 72.120000000000005 110.854 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 8.2 p -115.16 127.6 72.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 64.540000000000006 111.138 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.5 -33.76 48.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 71.409999999999997 112.484 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.23 139.65 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.893 0.378 . . . . 64.239999999999995 110.879 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -99.47 100.64 11.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 73.439999999999998 110.906 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.06 160.28 19.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 74.400000000000006 110.886 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.76 -131.27 51.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.795 -0.717 . . . . 53.340000000000003 112.455 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . 0.467 ' O ' HG12 ' C' ' 31' ' ' ILE . . . -99.03 111.26 23.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.322 . . . . 54.219999999999999 111.117 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . 0.518 HG12 ' HA ' ' E' ' 31' ' ' ILE . 0.0 OUTLIER -114.04 111.41 35.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 74.099999999999994 111.144 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.5 117.55 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 65.409999999999997 111.128 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.66 -49.73 39.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.762 . . . . 75.420000000000002 112.5 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.545 ' N ' ' CD1' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -154.62 151.86 29.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 74.5 110.96 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 11.9 mtp -129.02 118.65 22.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 73.099999999999994 110.884 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 84.4 t -138.1 112.73 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 73.400000000000006 111.084 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.75 17.69 43.14 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.749 . . . . 61.210000000000001 112.478 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.26 -174.32 26.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.666 -0.778 . . . . 64.530000000000001 112.491 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 13.2 p -156.54 151.03 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 74.150000000000006 111.167 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 15.1 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 74.349999999999994 111.141 179.929 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.832 0.349 . . . . 73.129999999999995 110.844 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.98 79.91 1.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 75.140000000000001 111.055 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 3' ' ' GLU . . . . . 0.4 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . 17.6 mp0 -52.6 -32.17 40.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 72.409999999999997 110.848 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -151.65 114.3 4.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 65.25 110.841 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -132.61 107.37 8.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 73.329999999999998 110.896 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.35 127.2 56.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 72.319999999999993 110.869 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -130.37 101.07 5.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 72.010000000000005 110.885 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -156.75 127.62 6.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 74.400000000000006 110.841 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.84 -25.04 43.55 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.75 . . . . 74.510000000000005 112.494 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.34 103.77 3.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 75.109999999999999 110.922 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -109.36 120.98 44.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 62.32 110.862 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 5.5 p -136.28 128.75 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 74.430000000000007 111.137 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -120.68 113.63 20.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 72.040000000000006 110.884 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -114.15 126.91 55.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 73.109999999999999 110.875 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -130.06 133.14 46.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 63.030000000000001 110.922 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.71 120.44 27.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 74.140000000000001 110.906 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -125.71 112.96 16.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 73.409999999999997 110.897 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 87.9 t -107.77 113.05 42.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 74.349999999999994 111.153 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -102.37 98.82 8.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 74.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 53.79 90.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 73.219999999999999 110.831 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.6 144.86 45.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 65.329999999999998 111.11 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 19.0 t0 52.7 72.35 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 72.409999999999997 110.882 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -113.87 126.67 71.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 74.409999999999997 111.121 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.6 -33.59 34.0 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.691 -0.766 . . . . 74.519999999999996 112.514 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.56 138.27 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 74.25 110.907 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -99.14 99.7 10.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 73.010000000000005 110.925 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.28 160.27 19.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.129999999999995 110.873 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.45 -133.38 51.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 55.43 112.517 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . 0.481 ' O ' HG12 ' D' ' 31' ' ' ILE . . . -95.49 112.35 24.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.743 0.306 . . . . 75.040000000000006 111.075 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . 0.518 ' HA ' HG12 ' D' ' 31' ' ' ILE . 0.0 OUTLIER -112.8 111.94 38.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 75.530000000000001 111.151 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.39 114.6 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 73.230000000000004 111.155 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.89 -47.55 47.46 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.734 -0.746 . . . . 63.439999999999998 112.475 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.506 ' N ' ' CD1' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -153.99 152.02 30.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.336 . . . . 74.430000000000007 110.94 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 10.7 mtp -130.46 117.26 19.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 72.450000000000003 110.848 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 95.6 t -141.44 111.31 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 74.030000000000001 111.151 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.47 17.96 42.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 75.200000000000003 112.508 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.02 -173.49 25.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 62.049999999999997 112.471 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 11.8 p -156.28 151.86 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.871 0.367 . . . . 73.239999999999995 111.136 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 17.8 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 72.430000000000007 111.125 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.857 0.361 . . . . 74.109999999999999 110.875 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.95 78.32 1.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 74.329999999999998 111.133 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -53.51 -33.77 55.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 72.129999999999995 110.913 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -150.81 112.95 4.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 74.319999999999993 110.884 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -138.21 108.31 6.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 75.010000000000005 110.896 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.92 130.13 55.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 75.400000000000006 110.885 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -135.63 101.14 4.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 74.099999999999994 110.879 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 8' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' G' ' 8' ' ' SER . 2.8 p -155.92 127.5 7.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 55.399999999999999 110.876 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.17 -26.61 13.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 71.329999999999998 112.476 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -145.24 109.19 4.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.805 0.336 . . . . 73.420000000000002 110.937 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -109.35 119.5 39.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 75.510000000000005 110.844 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -138.96 126.15 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 72.430000000000007 111.113 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -124.82 113.13 17.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 75.209999999999994 110.904 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -116.98 125.84 52.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 75.349999999999994 110.843 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -124.8 132.79 53.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 73.239999999999995 110.882 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.15 118.18 16.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 75.540000000000006 110.946 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -122.53 114.19 20.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 71.319999999999993 110.937 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 88.2 t -108.95 113.15 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 73.25 111.12 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . 0.403 ' CG ' HD11 ' F' ' 34' ' ' LEU . 12.9 m-30 -103.16 106.22 16.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 74.430000000000007 110.892 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 58.78 91.58 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 74.209999999999994 110.828 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.44 144.0 45.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 73.450000000000003 111.11 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 18.7 t0 52.75 72.04 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 74.519999999999996 110.931 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 8.1 p -112.53 129.27 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 71.140000000000001 111.105 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.03 -35.78 49.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 72.310000000000002 112.493 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.84 138.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.363 . . . . 74.510000000000005 110.846 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -97.9 102.26 13.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 71.319999999999993 110.867 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.02 156.84 22.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 74.239999999999995 110.871 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.51 -138.24 48.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 71.219999999999999 112.457 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.21 111.5 23.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.736 0.303 . . . . 62.210000000000001 111.116 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . 0.402 HG13 HG22 ' G' ' 31' ' ' ILE . 0.0 OUTLIER -122.38 117.34 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 72.129999999999995 111.097 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -132.94 117.72 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 73.099999999999994 111.122 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -42.92 -49.93 6.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 72.540000000000006 112.473 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.567 ' N ' ' CD1' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -159.58 156.11 27.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 75.409999999999997 110.911 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 13.6 mtp -131.17 122.46 26.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 64.099999999999994 110.852 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 70.8 t -134.17 114.46 19.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 75.239999999999995 111.165 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.03 16.64 53.33 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.746 . . . . 72.219999999999999 112.477 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.89 -174.4 22.86 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 63.329999999999998 112.493 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 12.4 p -155.26 150.23 11.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.933 0.397 . . . . 65.340000000000003 111.119 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 21.0 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 64.140000000000001 111.162 179.91 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.798 0.332 . . . . 71.120000000000005 110.85 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.75 78.18 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 60.210000000000001 111.128 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -53.8 -34.19 58.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 75.400000000000006 110.889 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -154.38 113.48 3.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 75.239999999999995 110.877 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -135.73 108.92 7.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 74.030000000000001 110.841 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.88 130.5 55.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 75.209999999999994 110.851 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -135.57 101.66 4.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 74.420000000000002 110.867 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 8' ' ' SER . . . . . 0.419 ' O ' ' HA ' ' H' ' 8' ' ' SER . 2.8 p -156.68 126.89 6.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 74.010000000000005 110.88 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.11 -26.87 13.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 52.32 112.482 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -146.93 106.96 3.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.828 0.347 . . . . 73.150000000000006 110.944 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -107.63 119.75 40.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 65.310000000000002 110.843 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 4.1 p -137.16 126.44 36.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 73.299999999999997 111.112 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -123.99 113.09 17.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 75.329999999999998 110.857 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -116.33 125.74 52.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 75.409999999999997 110.858 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -123.76 132.93 53.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 75.219999999999999 110.895 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.23 117.72 19.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 74.409999999999997 110.904 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -122.18 111.56 17.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.450000000000003 110.897 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 92.2 t -108.46 111.1 34.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 74.150000000000006 111.166 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 10.3 m-30 -102.52 104.31 14.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 71.420000000000002 110.915 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 58.83 91.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 72.329999999999998 110.823 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.41 144.37 45.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 74.519999999999996 111.1 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 18.6 t0 52.38 72.78 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.540000000000006 110.909 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 8.0 p -113.06 127.65 70.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 71.310000000000002 111.161 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.79 -34.22 50.61 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.688 -0.768 . . . . 73.129999999999995 112.452 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.56 139.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 73.219999999999999 110.882 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -99.51 100.28 11.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 74.530000000000001 110.867 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.78 160.45 18.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 73.340000000000003 110.864 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.67 -134.05 51.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 61.340000000000003 112.508 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.46 112.21 24.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.766 0.317 . . . . 72.310000000000002 111.133 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . 0.457 HG13 ' CG2' ' H' ' 31' ' ' ILE . 0.0 OUTLIER -118.87 113.76 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 74.310000000000002 111.137 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.91 118.03 40.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 73.109999999999999 111.155 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.48 -49.08 21.36 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 74.439999999999998 112.532 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.562 ' N ' ' CD1' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -158.24 153.99 26.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 75.340000000000003 110.89 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 8.7 mtp -128.31 120.98 28.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 74.400000000000006 110.867 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 96.4 t -136.18 113.6 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 73.140000000000001 111.137 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.89 18.01 45.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 75.519999999999996 112.484 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.26 -174.67 23.42 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 44.299999999999997 112.533 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 p -156.93 151.23 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 64.329999999999998 111.152 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 74.239999999999995 111.099 179.952 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.801 0.334 . . . . 74.109999999999999 110.902 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.35 79.04 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 73.319999999999993 111.064 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -52.46 -33.73 45.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 73.010000000000005 110.912 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -153.4 113.92 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 73.319999999999993 110.908 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -134.8 108.92 8.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 64.209999999999994 110.853 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.83 130.17 55.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 72.25 110.93 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -134.96 101.87 5.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 75.439999999999998 110.84 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 8' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' G' ' 8' ' ' SER . 2.8 p -156.42 127.19 6.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 73.040000000000006 110.845 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.2 -26.99 13.96 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 71.430000000000007 112.481 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.8 106.62 3.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.882 0.372 . . . . 63.43 110.888 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -106.99 119.85 40.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 65.310000000000002 110.868 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 4.1 p -136.84 126.59 38.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 72.430000000000007 111.172 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -123.79 113.22 18.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 72.010000000000005 110.895 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -115.81 125.36 52.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 72.239999999999995 110.809 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -124.31 132.68 53.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 63.350000000000001 110.851 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.8 118.86 23.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 74.230000000000004 110.904 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -123.13 109.92 14.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 74.019999999999996 110.897 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 92.0 t -107.9 110.94 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 74.239999999999995 111.152 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -102.3 104.01 14.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 74.319999999999993 110.882 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 57.23 91.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 60.049999999999997 110.828 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.36 144.15 46.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 64.140000000000001 111.091 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 18.7 t0 52.64 72.78 0.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 74.430000000000007 110.853 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -113.43 127.45 70.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 75.510000000000005 111.117 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.76 -33.74 49.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 63.229999999999997 112.457 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.35 138.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 62.439999999999998 110.9 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -99.67 99.6 10.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 74.129999999999995 110.86 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.93 160.96 18.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 74.299999999999997 110.91 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.8 -132.79 52.73 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 74.219999999999999 112.52 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.88 111.73 24.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.743 0.306 . . . . 73.230000000000004 111.093 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . 0.511 HG12 ' HA ' ' I' ' 31' ' ' ILE . 0.0 OUTLIER -116.02 111.97 37.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 75.140000000000001 111.124 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.46 117.27 38.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 75.5 111.128 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.99 -49.27 29.88 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 74.299999999999997 112.449 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . 0.564 ' CD1' ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -156.62 152.76 27.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.777 0.322 . . . . 74.420000000000002 110.936 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 10.5 mtp -128.03 119.3 25.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 70.25 110.88 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 93.6 t -137.18 113.69 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 73.230000000000004 111.149 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.45 17.69 40.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 53.549999999999997 112.517 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.81 -174.71 24.69 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 71.120000000000005 112.45 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 12.4 p -157.08 152.3 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 71.109999999999999 111.114 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 75.040000000000006 111.15 179.898 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.881 0.372 . . . . 74.510000000000005 110.903 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.02 79.08 1.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 71.450000000000003 111.101 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -52.97 -33.21 50.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 73.239999999999995 110.887 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -151.88 113.92 4.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 75.299999999999997 110.854 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -133.75 108.52 8.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 73.030000000000001 110.836 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.69 130.31 55.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 65.409999999999997 110.865 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -134.53 101.74 5.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 71.340000000000003 110.847 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 8' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' H' ' 8' ' ' SER . 2.8 p -156.5 126.98 6.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 75.329999999999998 110.883 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.6 -26.93 17.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 74.099999999999994 112.5 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.73 106.76 3.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.814 0.34 . . . . 74.120000000000005 110.979 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -107.71 120.09 41.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 75.129999999999995 110.876 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 4.1 p -136.69 126.42 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 74.319999999999993 111.139 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -122.95 113.38 19.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 63.43 110.847 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -115.25 125.76 53.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 74.140000000000001 110.849 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -125.84 132.76 52.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 72.510000000000005 110.896 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.99 120.37 28.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 73.319999999999993 110.911 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -124.9 109.44 13.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 71.150000000000006 110.892 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 91.2 t -107.95 111.82 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 72.439999999999998 111.13 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . 0.413 ' CG ' HD11 ' I' ' 34' ' ' LEU . 8.1 m-30 -102.17 102.9 13.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 74.310000000000002 110.855 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 56.45 91.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 74.5 110.857 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.42 144.35 46.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 70.430000000000007 111.077 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 18.7 t0 53.0 72.9 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 72.319999999999993 110.868 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -114.5 126.97 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 64.239999999999995 111.158 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.88 -33.53 50.08 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 54.310000000000002 112.497 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.43 138.16 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 62.43 110.864 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -99.46 99.75 10.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 74.400000000000006 110.906 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.8 160.9 18.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 73.430000000000007 110.886 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.94 -132.33 52.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 73.129999999999995 112.499 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . 0.471 ' O ' HG12 ' H' ' 31' ' ' ILE . . . -98.61 110.98 23.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.739 0.304 . . . . 73.439999999999998 111.132 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . 0.516 HG12 ' HA ' ' J' ' 31' ' ' ILE . 0.0 OUTLIER -113.44 111.58 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 74.340000000000003 111.102 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -130.27 116.74 37.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 74.519999999999996 111.162 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.03 -49.98 34.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 61.299999999999997 112.501 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . 0.545 ' N ' ' CD1' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -154.73 151.84 29.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.843 0.354 . . . . 74.209999999999994 110.918 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 12.0 mtp -128.71 118.36 22.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 74.109999999999999 110.901 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 83.9 t -137.81 112.91 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 74.409999999999997 111.167 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.46 17.73 41.21 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 64.109999999999999 112.513 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.83 -174.29 26.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.794 -0.717 . . . . 70.420000000000002 112.486 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 12.7 p -157.2 151.97 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 74.019999999999996 111.152 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 14.9 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 71.409999999999997 111.139 179.911 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.826 0.346 . . . . 64.209999999999994 110.905 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.55 79.0 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 61.119999999999997 111.123 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -52.6 -33.35 45.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 74.409999999999997 110.916 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -151.3 114.69 4.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 73.219999999999999 110.888 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -133.44 107.99 8.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 75.430000000000007 110.824 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.21 127.25 56.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 72.239999999999995 110.896 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -130.31 101.33 5.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 73.530000000000001 110.921 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -156.93 127.6 6.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 72.230000000000004 110.878 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.33 -25.96 42.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 74.209999999999994 112.476 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.35 104.37 3.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 74.129999999999995 110.916 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -108.93 121.23 44.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 74.209999999999994 110.905 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 5.0 p -137.02 127.12 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 70.120000000000005 111.133 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -121.16 113.57 20.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 72.409999999999997 110.838 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -114.24 127.12 55.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 73.430000000000007 110.911 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -128.3 133.09 48.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 74.329999999999998 110.942 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.11 120.27 28.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 75.530000000000001 110.889 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -125.78 112.26 15.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 71.129999999999995 110.879 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 91.9 t -107.55 113.17 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 65.340000000000003 111.11 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 9.1 m-30 -102.28 99.29 9.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 75.510000000000005 110.834 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 54.13 90.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 73.099999999999994 110.884 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.36 145.27 45.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 71.310000000000002 111.068 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 18.9 t0 52.25 72.49 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 73.540000000000006 110.901 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 7.8 p -114.13 126.26 71.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 64.319999999999993 111.145 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.39 -33.66 32.55 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 74.140000000000001 112.447 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.47 137.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.949 0.404 . . . . 64.219999999999999 110.812 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -98.95 99.09 10.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 74.5 110.83 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.08 160.39 18.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 74.209999999999994 110.895 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' E' ' 3' ' ' GLU . . . 60.14 -134.84 50.51 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 72.319999999999993 112.438 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . 0.495 ' O ' HG12 ' I' ' 31' ' ' ILE . . . -94.46 111.65 23.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 74.5 111.082 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . 0.516 ' HA ' HG12 ' I' ' 31' ' ' ILE . 0.0 OUTLIER -112.36 112.76 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 71.230000000000004 111.098 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.52 114.25 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 75.340000000000003 111.145 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.64 -47.66 45.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.758 -0.734 . . . . 74.129999999999995 112.494 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . 0.512 ' N ' ' CD1' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -154.35 152.05 29.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.847 0.356 . . . . 75.310000000000002 110.892 -179.905 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 10.4 mtp -130.27 117.05 19.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 75.450000000000003 110.907 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 91.7 t -141.28 111.7 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 74.349999999999994 111.139 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.29 18.18 41.68 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.762 -0.733 . . . . 75.239999999999995 112.514 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.44 -173.77 26.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.69 -0.766 . . . . 62.409999999999997 112.503 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 12.3 p -156.6 151.82 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 73.019999999999996 111.188 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 17.5 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 75.439999999999998 111.084 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.788 0.328 . . . . 73.129999999999995 110.893 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.78 89.06 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 72.329999999999998 111.081 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -52.01 -31.21 28.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 71.209999999999994 110.834 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -157.64 113.87 2.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 73.319999999999993 110.86 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -133.54 108.72 8.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 74.019999999999996 110.834 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -110.64 125.65 53.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 74.120000000000005 110.844 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -132.12 101.69 5.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 71.319999999999993 110.833 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.9 m -148.15 176.56 10.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 70.230000000000004 110.85 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.77 -8.97 38.75 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.821 -0.704 . . . . 71.329999999999998 112.497 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -172.36 110.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 74.540000000000006 110.903 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -101.29 122.43 43.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 72.319999999999993 110.874 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.7 t -138.79 113.8 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 71.109999999999999 111.159 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.4 m170 -108.72 133.85 52.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 73.150000000000006 110.836 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -137.79 112.61 8.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 63.5 110.878 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.95 133.95 49.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 63.130000000000003 110.901 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -127.97 117.41 21.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 73.439999999999998 110.888 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -118.21 111.08 18.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 75.140000000000001 110.944 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.8 m -115.89 120.48 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 74.319999999999993 111.152 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -111.72 100.97 9.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 70.049999999999997 110.918 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 62.3 65.95 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 75.430000000000007 110.924 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.08 133.1 42.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 73.519999999999996 111.106 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 61.21 77.91 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 75.109999999999999 110.894 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.8 t -112.25 147.87 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 75.230000000000004 111.157 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.93 -47.31 9.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.789 -0.72 . . . . 71.319999999999993 112.477 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -161.43 121.55 2.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.882 0.373 . . . . 75.140000000000001 110.866 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -96.94 100.15 11.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 75.140000000000001 110.853 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.46 139.76 49.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 72.530000000000001 110.897 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.78 -140.75 22.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 62.039999999999999 112.491 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.2 113.85 27.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.341 . . . . 71.450000000000003 111.053 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.23 122.66 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 63.420000000000002 111.131 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -136.05 115.03 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 71.150000000000006 111.129 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.76 -45.67 8.94 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 64.209999999999994 112.525 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.583 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -168.54 146.61 4.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 73.439999999999998 110.906 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.3 ttp -129.78 127.2 39.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 74.120000000000005 110.904 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 62.6 t -132.42 114.02 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 74.049999999999997 111.154 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.59 6.07 83.98 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.731 . . . . 61.409999999999997 112.483 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.35 -170.17 43.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 74.319999999999993 112.499 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -168.71 146.16 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.356 . . . . 74.340000000000003 111.175 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.0 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 75.530000000000001 111.082 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.78 0.324 . . . . 73.519999999999996 110.875 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.82 88.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 65.420000000000002 111.111 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -52.91 -30.27 33.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 73.230000000000004 110.886 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -158.31 113.64 2.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 74.239999999999995 110.887 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.6 tpt85 -130.86 108.74 10.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 75.540000000000006 110.842 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -109.89 125.64 53.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 74.25 110.879 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -132.48 101.21 5.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 75.310000000000002 110.915 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.413 ' O ' ' HA ' ' C' ' 8' ' ' SER . 21.9 m -147.68 176.06 10.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 71.099999999999994 110.842 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.72 -8.89 39.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 63.109999999999999 112.468 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -172.36 109.81 0.23 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.827 0.346 . . . . 75.420000000000002 110.976 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -99.95 121.58 41.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 74.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.3 t -137.68 113.99 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 73.140000000000001 111.168 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -108.94 133.54 52.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 74.299999999999997 110.862 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -136.38 113.33 10.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 65.040000000000006 110.892 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.7 133.31 49.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 74.329999999999998 110.946 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 tptm -126.51 117.81 23.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 70.439999999999998 110.908 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -120.7 111.44 17.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 75.420000000000002 110.936 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 27.5 m -117.73 119.8 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 71.510000000000005 111.081 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -110.35 101.09 9.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 75.219999999999999 110.873 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 61.71 66.41 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 63.299999999999997 110.892 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.63 133.21 41.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 73.030000000000001 111.12 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 60.09 78.51 0.27 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 65.109999999999999 110.871 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 42.5 t -112.43 148.22 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 74.230000000000004 111.109 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.17 -46.78 8.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 74.049999999999997 112.477 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -160.73 121.99 2.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.858 0.361 . . . . 73.519999999999996 110.872 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -97.0 99.86 11.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 73.25 110.881 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.13 143.38 45.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 73.519999999999996 110.896 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.59 -138.82 21.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 71.219999999999999 112.479 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.97 113.28 26.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.825 0.345 . . . . 54.240000000000002 111.075 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.68 120.18 56.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 70.319999999999993 111.123 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -134.07 112.31 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 74.209999999999994 111.151 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.75 -44.66 8.64 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 72.150000000000006 112.473 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.589 ' N ' ' CD1' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -165.37 149.08 8.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.79 0.329 . . . . 74.129999999999995 110.949 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.5 ttp -130.77 126.09 35.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 72.340000000000003 110.861 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 72.5 t -136.12 113.94 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 74.349999999999994 111.174 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.91 7.45 66.19 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 74.239999999999995 112.499 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.01 -170.93 45.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 72.25 112.495 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -168.82 145.85 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 73.109999999999999 111.125 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 74.420000000000002 111.095 179.941 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.787 0.327 . . . . 75.219999999999999 110.854 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.73 89.13 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 75.430000000000007 111.085 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -52.61 -31.14 35.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 72.230000000000004 110.881 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -157.84 113.82 2.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 75.430000000000007 110.892 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -129.75 108.98 10.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 74.120000000000005 110.87 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 35.9 t60 -110.42 124.52 51.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 75.319999999999993 110.873 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -131.36 101.48 5.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 71.329999999999998 110.865 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 8' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' B' ' 8' ' ' SER . 22.0 m -147.93 175.71 10.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 75.5 110.863 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.01 -8.62 38.82 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.773 -0.727 . . . . 64.400000000000006 112.477 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -172.18 110.22 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.341 . . . . 74.099999999999994 110.934 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -100.08 121.9 42.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 73.400000000000006 110.917 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -138.1 114.13 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 73.340000000000003 111.144 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 56.9 m170 -109.17 132.98 53.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 75.409999999999997 110.879 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -135.38 113.78 11.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 74.510000000000005 110.83 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.08 133.33 49.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 70.349999999999994 110.902 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -125.69 117.7 24.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 74.430000000000007 110.892 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -122.26 111.15 16.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 75.420000000000002 110.917 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 27.5 m -118.31 119.99 63.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 74.450000000000003 111.163 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -109.2 100.58 9.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 75.209999999999994 110.885 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 61.11 66.89 0.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 74.129999999999995 110.901 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.69 132.62 42.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 71.430000000000007 111.089 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 60.51 78.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 71.420000000000002 110.874 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 41.6 t -112.36 148.54 15.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 71.420000000000002 111.097 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.08 -46.47 8.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.68 -0.771 . . . . 74.450000000000003 112.497 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -160.47 121.74 3.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.874 0.369 . . . . 73.349999999999994 110.825 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -96.76 100.06 11.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 72.519999999999996 110.868 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.49 144.32 45.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 75.329999999999998 110.909 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.33 -138.01 20.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 70.420000000000002 112.535 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.63 113.24 26.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 63.219999999999999 111.114 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.81 119.25 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 73.200000000000003 111.101 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -133.37 113.34 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 73.219999999999999 111.125 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.4 -45.62 22.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 70.420000000000002 112.489 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.609 ' CD1' ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -162.46 147.81 12.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.784 0.325 . . . . 71.430000000000007 110.926 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.9 ttp -129.3 124.17 33.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 63.409999999999997 110.841 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 80.6 t -136.81 113.33 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 74.299999999999997 111.105 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.68 8.03 62.62 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.766 -0.731 . . . . 75.319999999999993 112.521 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.97 -171.68 45.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 55.240000000000002 112.5 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -168.39 145.92 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 73.329999999999998 111.158 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.530000000000001 111.134 179.896 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.775 0.321 . . . . 72.340000000000003 110.838 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.2 89.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 73.150000000000006 111.115 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -52.62 -30.87 33.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 61.229999999999997 110.838 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -157.87 114.01 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 75.010000000000005 110.9 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 4.6 tpt85 -128.68 108.78 10.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 74.209999999999994 110.837 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -110.58 123.94 50.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 74.439999999999998 110.853 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -130.64 101.42 5.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 74.439999999999998 110.836 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 22.2 m -148.44 174.49 12.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 73.329999999999998 110.841 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.95 -7.85 40.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 64.340000000000003 112.495 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -172.11 110.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 75.510000000000005 110.905 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -100.13 122.02 42.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 70.329999999999998 110.877 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -137.92 114.34 11.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 73.450000000000003 111.147 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -109.36 133.96 52.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.140000000000001 110.853 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -135.86 114.34 11.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 73.340000000000003 110.84 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.64 133.3 48.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 72.239999999999995 110.925 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 tptm -124.88 116.72 22.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 72.209999999999994 110.92 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -123.73 110.31 14.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 74.420000000000002 110.875 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 30.9 m -118.74 120.89 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 62.530000000000001 111.112 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 0.407 ' HB3' ' HA3' ' D' ' 33' ' ' GLY . 2.4 m-85 -108.41 100.49 9.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 72.540000000000006 110.892 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 61.29 67.87 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 73.540000000000006 110.848 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.52 132.69 42.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 62.149999999999999 111.098 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 60.73 78.26 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 64.140000000000001 110.863 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 46.0 t -112.83 147.03 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 73.450000000000003 111.114 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.84 -46.39 8.51 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 52.240000000000002 112.513 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -160.42 121.68 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 75.340000000000003 110.905 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -96.57 99.73 11.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 72.109999999999999 110.88 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.28 145.2 43.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 74.400000000000006 110.909 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.04 -137.54 20.07 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 73.319999999999993 112.482 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.31 112.97 26.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 72.430000000000007 111.114 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.29 119.01 56.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 74.109999999999999 111.158 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -131.53 111.92 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 74.329999999999998 111.136 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . 0.407 ' HA3' ' HB3' ' D' ' 19' ' ' PHE . . . -48.08 -43.27 24.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.757 . . . . 72.450000000000003 112.519 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.609 ' N ' ' CD1' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -163.27 147.08 10.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 73.519999999999996 110.864 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 3.2 ttp -130.48 122.97 28.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 75.420000000000002 110.907 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 74.1 t -136.77 113.26 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 71.310000000000002 111.104 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.46 8.92 60.48 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 63.340000000000003 112.509 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.55 -172.28 46.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 61.340000000000003 112.522 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -167.36 146.24 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 74.030000000000001 111.14 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 34.0 m . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 74.530000000000001 111.079 179.947 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.884 0.373 . . . . 73.409999999999997 110.891 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.47 88.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 75.010000000000005 111.068 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -52.25 -30.89 29.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 74.140000000000001 110.904 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -157.72 115.0 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 64.239999999999995 110.899 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 tpt85 -128.07 108.17 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 70.150000000000006 110.864 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -111.16 123.34 50.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 73.099999999999994 110.887 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -128.82 100.96 5.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 74.150000000000006 110.878 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 22.6 m -150.02 170.88 17.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 74.099999999999994 110.811 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.27 -7.02 44.12 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 53.420000000000002 112.414 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -170.02 108.68 0.38 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.87 0.367 . . . . 74.209999999999994 110.904 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -101.12 121.45 41.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 74.299999999999997 110.872 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 21.3 t -137.77 115.57 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 64.219999999999999 111.098 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -108.89 134.26 51.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 75.439999999999998 110.836 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -133.81 113.96 12.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 73.310000000000002 110.843 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.9 133.12 46.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 75.230000000000004 110.901 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 tptm -124.96 115.72 21.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 74.019999999999996 110.934 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -124.41 110.06 14.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 72.439999999999998 110.912 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 27.5 m -119.38 124.35 72.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 72.030000000000001 111.12 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' E' ' 19' ' ' PHE . 1.7 m-85 -109.5 99.29 8.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 74.329999999999998 110.892 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 62.81 69.69 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 73.319999999999993 110.845 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.36 133.18 43.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 65.450000000000003 111.129 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 59.71 79.63 0.22 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 73.209999999999994 110.885 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 48.6 t -114.11 147.5 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 65.329999999999998 111.103 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.73 -46.14 8.05 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.685 -0.769 . . . . 72.230000000000004 112.474 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -161.21 122.98 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 75.109999999999999 110.868 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -96.72 99.94 11.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 73.099999999999994 110.893 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.32 145.31 44.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 72.329999999999998 110.9 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.08 -139.47 22.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 70.310000000000002 112.486 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.95 113.44 25.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.759 0.314 . . . . 73.209999999999994 111.144 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.71 121.37 64.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 63.299999999999997 111.119 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 mt -133.1 110.64 15.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 73.120000000000005 111.125 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.96 -37.95 45.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 55.409999999999997 112.443 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.547 ' HA ' HD11 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -166.89 144.59 4.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.873 0.368 . . . . 65.120000000000005 110.876 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ttp -131.03 122.37 26.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 72.129999999999995 110.868 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 69.2 t -137.9 112.0 8.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 74.219999999999999 111.113 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.59 9.39 58.54 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.743 -0.741 . . . . 63.25 112.524 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -87.48 -171.33 47.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.724 . . . . 70.230000000000004 112.475 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 7.6 p -167.38 146.89 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 73.439999999999998 111.153 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 34.0 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 72.530000000000001 111.131 179.919 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.796 0.331 . . . . 72.549999999999997 110.854 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.06 88.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 72.230000000000004 111.102 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -52.67 -31.33 36.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 64.230000000000004 110.91 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -155.95 114.04 3.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 75.519999999999996 110.908 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 -132.48 108.55 9.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 73.230000000000004 110.862 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -110.39 124.89 52.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 55.210000000000001 110.845 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -131.38 101.65 5.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 74.319999999999993 110.907 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 23.1 m -148.37 176.31 10.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 64.430000000000007 110.872 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.72 -8.97 38.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 75.430000000000007 112.514 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -172.33 111.0 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.871 0.367 . . . . 73.049999999999997 110.898 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -101.17 122.44 43.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.504 . . . . 74.310000000000002 110.859 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 19.4 t -138.89 113.87 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 71.040000000000006 111.125 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 57.8 m170 -108.58 133.75 52.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 72.310000000000002 110.849 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -137.5 112.05 8.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 71.299999999999997 110.896 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.46 133.48 49.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 70.409999999999997 110.922 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -127.75 117.34 21.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 72.200000000000003 110.904 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -118.32 111.05 18.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 74.040000000000006 110.896 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 35.7 m -115.9 120.53 65.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 72.010000000000005 111.142 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -111.69 101.09 9.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 73.540000000000006 110.889 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 62.33 65.83 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 75.329999999999998 110.89 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.83 133.11 41.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 75.519999999999996 111.092 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 61.51 78.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 74.340000000000003 110.88 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 43.4 t -112.66 147.66 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 62.210000000000001 111.125 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.65 -47.43 8.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.788 -0.72 . . . . 53.130000000000003 112.447 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.5 m -160.63 120.99 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 72.340000000000003 110.871 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -96.93 99.51 11.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 65.120000000000005 110.908 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.53 140.72 48.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 74.409999999999997 110.893 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.69 -141.13 22.44 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 71.310000000000002 112.459 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.74 113.37 26.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 75.319999999999993 111.105 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.89 123.25 60.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 75.129999999999995 111.157 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -137.15 114.51 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 75.450000000000003 111.129 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.34 -45.69 8.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 72.010000000000005 112.52 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.579 ' N ' ' CD1' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -168.7 146.48 3.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.821 0.343 . . . . 74.510000000000005 110.943 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 3.4 ttp -129.55 126.78 39.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 71.439999999999998 110.887 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 60.9 t -131.81 114.09 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 73.239999999999995 111.144 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.85 6.41 81.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 64.140000000000001 112.47 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.19 -170.66 43.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.732 . . . . 52.009999999999998 112.481 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -168.92 146.19 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 71.430000000000007 111.145 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 75.420000000000002 111.148 179.949 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.841 0.353 . . . . 74.209999999999994 110.9 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.83 88.9 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 75.319999999999993 111.128 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -52.62 -31.35 36.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 53.530000000000001 110.918 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -157.82 114.04 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 75.450000000000003 110.889 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 tpt85 -130.56 109.0 10.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 74.450000000000003 110.899 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -109.96 124.79 52.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 71.430000000000007 110.805 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -131.43 101.38 5.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 72.319999999999993 110.878 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 8' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' H' ' 8' ' ' SER . 22.5 m -148.11 175.74 10.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 64.299999999999997 110.884 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.63 -8.57 39.93 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 72.349999999999994 112.492 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -172.68 110.24 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.89 0.376 . . . . 75.319999999999993 110.927 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -100.23 121.76 41.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 74.219999999999999 110.906 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 21.3 t -137.76 113.98 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 72.129999999999995 111.136 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 57.6 m170 -108.71 133.36 52.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 75.129999999999995 110.843 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -136.19 113.25 10.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 71.400000000000006 110.824 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.5 133.1 49.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 70.310000000000002 110.905 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -126.44 117.67 23.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 74.109999999999999 110.877 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -120.86 111.05 17.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 74.109999999999999 110.924 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 28.2 m -117.53 119.76 62.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 70.209999999999994 111.106 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -110.26 101.17 9.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 71.209999999999994 110.866 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 61.74 66.18 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 73.019999999999996 110.894 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.58 132.79 41.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 65.030000000000001 111.128 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 60.98 78.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 74.030000000000001 110.875 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 43.4 t -113.38 147.86 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 75.519999999999996 111.113 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.55 -46.99 8.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 72.439999999999998 112.5 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 4.7 m -159.85 121.45 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 74.129999999999995 110.849 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -97.22 99.49 10.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 72.120000000000005 110.869 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.08 144.29 44.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 75.230000000000004 110.913 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.57 -139.18 22.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.703 -0.761 . . . . 71.129999999999995 112.51 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.79 113.23 26.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.785 0.326 . . . . 50.119999999999997 111.074 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.67 120.67 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 72.310000000000002 111.139 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -134.53 112.1 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 73.329999999999998 111.134 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.77 -44.95 8.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.728 -0.749 . . . . 72.209999999999994 112.476 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.595 ' N ' ' CD1' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -165.11 149.07 8.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.781 0.324 . . . . 74.129999999999995 110.904 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 2.5 ttp -130.44 126.02 35.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 75.439999999999998 110.863 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 74.7 t -136.06 113.8 14.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 75.129999999999995 111.131 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.44 7.7 64.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 73.200000000000003 112.53 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.1 -171.2 45.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.689 -0.767 . . . . 74.239999999999995 112.442 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -169.07 146.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 71.450000000000003 111.146 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 34.0 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 75.349999999999994 111.157 179.943 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.768 0.318 . . . . 72.439999999999998 110.84 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.29 88.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 75.310000000000002 111.083 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -52.14 -31.63 31.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 72.299999999999997 110.857 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -157.42 114.1 2.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 74.140000000000001 110.91 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -129.71 108.95 10.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 75.109999999999999 110.883 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -110.16 124.35 51.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 65.409999999999997 110.869 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -131.21 101.55 5.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 73.019999999999996 110.886 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 8' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' G' ' 8' ' ' SER . 21.7 m -147.98 175.44 10.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 74.219999999999999 110.855 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.72 -8.46 39.93 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.701 -0.761 . . . . 73.430000000000007 112.468 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -172.39 110.24 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.372 . . . . 74.340000000000003 110.909 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -99.89 122.12 42.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.136 -0.483 . . . . 71.120000000000005 110.932 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -138.39 114.19 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 71.439999999999998 111.093 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -109.22 133.22 53.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 72.439999999999998 110.876 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -135.56 113.92 11.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 72.209999999999994 110.867 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.72 133.23 49.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 73.430000000000007 110.934 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 tptm -125.55 117.11 22.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 71.439999999999998 110.851 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -122.19 111.25 16.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 73.420000000000002 110.884 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 27.5 m -118.7 120.26 63.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 73.530000000000001 111.138 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -109.45 100.58 9.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 75.430000000000007 110.842 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 61.11 67.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 75.040000000000006 110.852 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.8 132.53 42.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 74.219999999999999 111.055 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 60.73 79.01 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 53.32 110.875 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 41.9 t -112.85 148.21 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 74.450000000000003 111.118 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.21 -46.51 8.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 50.210000000000001 112.493 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -159.81 121.35 3.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.835 0.35 . . . . 72.140000000000001 110.876 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -97.22 99.39 10.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 73.109999999999999 110.87 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.04 145.38 43.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 75.530000000000001 110.876 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.1 -138.51 21.41 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.724 -0.751 . . . . 73.349999999999994 112.483 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.46 112.94 25.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.729 0.299 . . . . 74.400000000000006 111.132 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.42 119.58 56.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 75.209999999999994 111.08 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -133.59 113.06 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 72.010000000000005 111.083 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.38 -45.47 22.15 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.765 -0.731 . . . . 65.010000000000005 112.454 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . 0.602 ' CD1' ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -162.61 147.61 12.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.827 0.346 . . . . 73.430000000000007 110.943 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 3.0 ttp -129.27 123.65 32.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 74.310000000000002 110.917 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 80.4 t -136.4 113.79 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 73.540000000000006 111.122 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.3 8.14 61.68 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 61.240000000000002 112.46 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.72 -171.96 46.27 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.713 -0.756 . . . . 71.310000000000002 112.485 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -168.74 146.09 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 73.540000000000006 111.177 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 71.549999999999997 111.127 179.912 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.852 0.358 . . . . 72.219999999999999 110.891 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.82 88.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 72.430000000000007 111.127 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -52.14 -31.37 30.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 74.040000000000006 110.906 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -157.5 114.16 2.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 73.219999999999999 110.943 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -128.95 108.7 10.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 75.019999999999996 110.888 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -110.52 123.93 50.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 74.239999999999995 110.846 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -130.72 101.47 5.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 64.129999999999995 110.846 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 21.3 m -148.39 174.6 11.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 73.200000000000003 110.813 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.75 -8.11 40.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.765 -0.731 . . . . 74.409999999999997 112.49 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -172.13 110.32 0.26 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.876 0.37 . . . . 75.409999999999997 110.905 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -99.77 122.04 42.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.491 . . . . 75.040000000000006 110.852 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 21.3 t -137.99 114.27 10.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 64.209999999999994 111.1 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 57.6 m170 -109.41 133.91 52.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 71.140000000000001 110.846 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -135.61 114.31 11.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 73.450000000000003 110.83 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.4 133.16 48.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 74.25 110.88 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 tptm -124.92 116.45 22.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 74.439999999999998 110.937 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -123.68 110.38 14.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 75.319999999999993 110.914 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 31.3 m -118.83 120.86 65.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 73.519999999999996 111.108 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -108.46 100.44 9.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 74.409999999999997 110.883 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 61.43 68.22 0.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 53.229999999999997 110.854 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.84 132.98 42.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 51.219999999999999 111.091 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 60.43 79.09 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 61.039999999999999 110.831 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 43.3 t -113.66 147.34 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 73.109999999999999 111.187 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.5 -46.49 7.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 62.229999999999997 112.527 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 4.7 m -159.65 121.18 3.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 62.310000000000002 110.846 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -97.04 99.19 10.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 74.140000000000001 110.893 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.4 146.48 42.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 72.409999999999997 110.869 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.79 -137.95 20.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.791 -0.719 . . . . 71.340000000000003 112.463 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.11 112.85 25.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.76 0.314 . . . . 64.420000000000002 111.15 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.13 119.82 58.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 74.319999999999993 111.115 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -132.36 111.86 18.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 74.150000000000006 111.13 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.39 -43.07 26.77 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 65.400000000000006 112.499 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . 0.607 ' N ' ' CD1' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -163.6 146.95 10.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 64.530000000000001 110.896 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 3.1 ttp -130.12 122.96 29.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 70.420000000000002 110.901 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 71.3 t -137.18 113.61 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 65.239999999999995 111.139 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.38 8.77 59.95 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.727 . . . . 73.140000000000001 112.444 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.0 -173.36 46.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 72.030000000000001 112.494 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -167.34 146.51 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 73.430000000000007 111.111 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 34.1 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 75.150000000000006 111.101 179.894 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.791 0.329 . . . . 73.319999999999993 110.879 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.82 88.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 75.109999999999999 111.053 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -51.96 -31.5 29.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.46 . . . . 71.530000000000001 110.953 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -157.88 115.04 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 75.129999999999995 110.867 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 4.4 tpt85 -128.6 108.55 10.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 75.450000000000003 110.849 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -111.0 123.06 49.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 75.109999999999999 110.857 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -128.88 101.12 5.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 73.129999999999995 110.832 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 23.8 m -149.52 170.4 18.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 72.400000000000006 110.845 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.41 -7.06 46.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 71.239999999999995 112.466 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -170.51 108.4 0.33 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.856 0.36 . . . . 74.530000000000001 110.951 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -100.18 121.16 41.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 74.099999999999994 110.857 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 21.3 t -137.73 115.01 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 65.349999999999994 111.12 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 57.5 m170 -108.46 134.72 50.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 75.010000000000005 110.882 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -134.34 113.75 12.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 74.530000000000001 110.867 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.69 132.96 46.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 71.030000000000001 110.935 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -124.92 115.77 21.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 74.209999999999994 110.917 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -124.52 109.89 13.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 75.519999999999996 110.891 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 26.4 m -119.3 124.48 73.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 74.420000000000002 111.122 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' J' ' 19' ' ' PHE . 1.6 m-85 -109.89 99.25 8.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 73.120000000000005 110.895 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 62.82 70.06 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 74.319999999999993 110.89 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.05 132.83 44.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 74.409999999999997 111.117 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 60.12 79.76 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 73.200000000000003 110.84 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 47.4 t -114.48 147.79 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 62.219999999999999 111.144 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.07 -46.48 7.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 73.420000000000002 112.484 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 4.5 m -160.35 121.86 3.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 73.519999999999996 110.855 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -96.65 99.25 10.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 64.209999999999994 110.911 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.05 146.7 42.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 64.299999999999997 110.885 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.53 -140.56 24.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 73.430000000000007 112.538 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.4 112.91 24.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 72.230000000000004 111.108 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.44 121.96 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 65.219999999999999 111.101 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 mt -132.91 110.38 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 64.349999999999994 111.133 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.83 -36.85 42.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.746 . . . . 75.420000000000002 112.509 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . 0.541 ' N ' ' CD1' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -168.23 144.7 3.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.76 0.314 . . . . 74.299999999999997 110.932 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 3.5 ttp -130.51 121.69 26.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 73.150000000000006 110.903 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 78.4 t -138.27 111.7 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 63.340000000000003 111.163 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.29 9.02 60.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 61.439999999999998 112.485 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.41 -170.78 45.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.789 -0.719 . . . . 64.25 112.465 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 7.6 p -167.96 147.02 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.389 . . . . 74.439999999999998 111.117 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 34.2 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 74.219999999999999 111.11 179.895 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.821 0.343 . . . . 71.409999999999997 110.857 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.08 91.72 7.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 73.219999999999999 111.12 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . 0.553 ' HB3' ' HA2' ' F' ' 29' ' ' GLY . 3.4 mm-40 -56.32 -40.41 74.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 74.310000000000002 110.93 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -169.92 116.34 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 73.329999999999998 110.892 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -103.51 108.28 19.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 71.549999999999997 110.873 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -109.29 114.91 28.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 74.219999999999999 110.806 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -135.16 100.76 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 73.329999999999998 110.847 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.478 ' O ' ' HA ' ' B' ' 8' ' ' SER . 80.0 p -147.91 127.91 13.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 64.439999999999998 110.871 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.57 -21.5 21.38 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.746 -0.74 . . . . 62.420000000000002 112.452 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -159.74 111.56 2.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 74.209999999999994 110.9 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -109.65 119.68 40.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 73.239999999999995 110.867 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.6 t -138.19 134.9 44.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 74.329999999999998 111.109 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -130.51 112.71 13.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 75.409999999999997 110.824 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -117.04 126.46 52.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 73.140000000000001 110.852 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.09 133.48 46.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 71.219999999999999 110.892 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -126.4 125.04 41.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 73.409999999999997 110.881 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -124.22 103.09 8.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 74.549999999999997 110.935 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -109.61 111.22 35.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 72.519999999999996 111.158 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -102.94 138.83 39.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 73.519999999999996 110.812 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.408 ' CZ ' ' N ' ' A' ' 33' ' ' GLY . 16.7 m-85 62.02 39.97 12.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 74.540000000000006 110.906 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.35 121.91 33.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 72.239999999999995 111.083 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 60.49 75.49 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 65.209999999999994 110.878 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.0 p -129.28 142.64 43.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 72.150000000000006 111.112 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.91 -48.48 78.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 73.310000000000002 112.495 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.07 141.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 70.439999999999998 110.883 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -101.22 107.83 19.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 75.030000000000001 110.869 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.81 159.92 18.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 74.299999999999997 110.916 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.93 -128.94 22.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 64.140000000000001 112.471 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.16 113.79 26.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.323 . . . . 62.130000000000003 111.065 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -128.42 124.81 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 71.140000000000001 111.145 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 mt -134.78 116.56 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 73.430000000000007 111.15 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.408 ' N ' ' CZ ' ' A' ' 20' ' ' PHE . . . -47.46 -53.08 12.97 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.719 -0.753 . . . . 64.129999999999995 112.458 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.598 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -159.01 153.31 23.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 74.409999999999997 110.926 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.1 mtp -132.98 131.32 40.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 74.230000000000004 110.851 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 50.6 t -121.11 115.61 47.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 72.030000000000001 111.143 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 54.18 27.89 40.44 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 42.43 112.497 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.97 -177.55 17.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.787 -0.721 . . . . 61.5 112.501 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.0 p -148.96 136.26 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.377 . . . . 70.510000000000005 111.139 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 74.140000000000001 111.095 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.821 0.343 . . . . 71.340000000000003 110.872 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.61 95.46 10.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 73.209999999999994 111.091 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . 0.517 ' HB3' ' HA2' ' G' ' 29' ' ' GLY . 4.4 mm-40 -54.28 -32.89 57.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 70.310000000000002 110.935 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -168.45 118.91 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 74.209999999999994 110.877 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -105.46 107.89 19.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 73.140000000000001 110.828 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -108.69 116.24 31.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 74.239999999999995 110.862 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -131.98 100.98 5.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 65.219999999999999 110.884 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 8' ' ' SER . . . . . 0.504 ' O ' ' HA ' ' C' ' 8' ' ' SER . 79.5 p -148.0 126.43 12.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 75.109999999999999 110.86 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.88 -20.93 21.43 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.776 -0.726 . . . . 74.129999999999995 112.492 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -161.29 109.04 1.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.89 0.376 . . . . 71.400000000000006 110.961 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -106.9 120.2 41.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 65.519999999999996 110.894 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 41.3 t -137.3 135.57 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 74.430000000000007 111.131 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -131.33 112.8 13.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 75.420000000000002 110.834 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -115.61 128.44 55.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 74.129999999999995 110.865 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.94 134.3 48.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.310000000000002 110.905 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 tttp -124.2 125.79 45.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 73.340000000000003 110.926 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -127.6 102.15 6.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 75.439999999999998 110.946 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 t -109.31 113.25 43.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 62.109999999999999 111.152 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -107.7 134.3 50.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 71.439999999999998 110.892 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.4 ' CZ ' ' N ' ' B' ' 33' ' ' GLY . 20.5 m-85 62.13 39.45 12.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 75.150000000000006 110.84 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.24 124.3 35.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 64.120000000000005 111.069 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 57.45 75.38 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 72.239999999999995 110.895 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 6.7 p -127.42 142.25 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 73.319999999999993 111.167 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.46 -47.08 92.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 52.109999999999999 112.527 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.97 140.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 72.540000000000006 110.856 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -101.85 107.96 19.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 72.109999999999999 110.901 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.67 161.17 16.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 72.200000000000003 110.882 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.11 -130.08 18.59 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 72.129999999999995 112.488 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.72 114.18 26.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.751 0.31 . . . . 72.140000000000001 111.091 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -127.56 121.9 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 72.430000000000007 111.162 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 mt -131.44 118.06 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 75.420000000000002 111.168 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . 0.4 ' N ' ' CZ ' ' B' ' 20' ' ' PHE . . . -48.07 -52.97 15.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 75.120000000000005 112.493 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.593 ' N ' ' CD1' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -155.83 151.65 27.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 73.400000000000006 110.904 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 5.4 mtp -129.23 124.92 35.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 74.109999999999999 110.868 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 53.2 t -121.73 113.64 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 73.049999999999997 111.178 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.88 28.51 31.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.751 . . . . 72.120000000000005 112.527 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.35 -178.05 17.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 75.530000000000001 112.482 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 7.3 p -149.37 135.09 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.371 . . . . 71.299999999999997 111.151 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 74.329999999999998 111.088 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.812 0.339 . . . . 70.530000000000001 110.859 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.71 95.18 10.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 72.319999999999993 111.068 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . 0.417 ' HB3' ' HA2' ' H' ' 29' ' ' GLY . 4.2 mm-40 -55.82 -30.97 62.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 75.219999999999999 110.887 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -169.52 115.74 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 73.109999999999999 110.92 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -105.82 106.99 17.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 75.299999999999997 110.916 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -108.31 117.73 34.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 75.109999999999999 110.882 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -130.88 100.18 5.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 75.530000000000001 110.906 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 8' ' ' SER . . . . . 0.504 ' HA ' ' O ' ' B' ' 8' ' ' SER . 79.4 p -147.5 127.37 13.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 64.010000000000005 110.853 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.23 -20.95 23.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.697 -0.763 . . . . 73.400000000000006 112.51 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -162.01 110.94 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 63.439999999999998 110.922 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -108.19 120.37 42.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 73.200000000000003 110.874 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 41.6 t -136.87 135.69 48.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 71.230000000000004 111.148 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -131.07 113.09 13.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 74.209999999999994 110.849 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -114.14 130.37 56.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 74.310000000000002 110.862 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.1 134.12 47.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 74.450000000000003 110.931 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 tttp -123.46 123.96 41.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 72.540000000000006 110.905 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -129.34 101.95 6.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 74.549999999999997 110.946 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 1.4 t -110.51 114.48 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 75.129999999999995 111.138 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -108.06 133.69 52.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 74.519999999999996 110.877 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 60.64 40.66 16.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 73.310000000000002 110.877 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.42 124.9 35.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 73.430000000000007 111.106 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 53.87 75.18 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 75.200000000000003 110.854 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . 0.417 HG13 ' HA ' ' D' ' 24' ' ' VAL . 9.3 p -123.3 140.55 46.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 70.420000000000002 111.126 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.17 -46.14 94.25 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.772 -0.728 . . . . 73.349999999999994 112.5 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.9 137.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 63.299999999999997 110.849 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -101.56 106.62 17.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 74.430000000000007 110.897 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.45 161.21 15.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.230000000000004 110.911 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.92 -131.6 23.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.803 -0.713 . . . . 73.540000000000006 112.462 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.01 114.07 25.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 71.450000000000003 111.12 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -127.0 121.46 58.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 74.239999999999995 111.13 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.9 mt -130.51 117.99 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 72.510000000000005 111.128 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.45 -53.03 17.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 62.32 112.525 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.606 ' CD1' ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -154.41 149.64 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.349 . . . . 73.420000000000002 110.871 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 6.0 mtp -128.15 123.25 33.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 71.140000000000001 110.862 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 62.1 t -122.71 112.53 34.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 73.010000000000005 111.134 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.82 31.01 30.45 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.741 . . . . 72.319999999999993 112.506 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.23 -178.7 16.65 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 42.210000000000001 112.477 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 7.7 p -149.46 134.56 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 74.230000000000004 111.139 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.1 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 74.049999999999997 111.167 179.867 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.789 0.328 . . . . 73.140000000000001 110.851 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.12 93.87 9.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 73.0 111.066 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -55.21 -29.28 57.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 74.209999999999994 110.889 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -170.4 115.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 70.129999999999995 110.888 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -106.63 106.53 17.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 74.120000000000005 110.868 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -107.53 119.21 38.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 75.540000000000006 110.9 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -130.14 100.05 5.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 75.129999999999995 110.879 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 8' ' ' SER . . . . . 0.499 ' HA ' ' O ' ' C' ' 8' ' ' SER . 79.5 p -148.05 127.27 12.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 73.319999999999993 110.875 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.48 -21.1 26.23 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.752 . . . . 64.409999999999997 112.511 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -162.43 110.9 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.861 0.362 . . . . 73.340000000000003 110.928 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -108.02 120.81 43.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 75.299999999999997 110.934 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 41.7 t -136.67 135.76 48.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 73.430000000000007 111.102 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -130.38 114.11 15.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 75.299999999999997 110.858 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -113.5 131.69 55.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 75.549999999999997 110.862 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.01 133.76 44.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 74.109999999999999 110.91 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 tttp -122.6 121.69 37.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 64.409999999999997 110.867 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -130.48 101.44 5.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 65.329999999999998 110.952 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -110.57 116.41 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 75.420000000000002 111.12 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -108.06 133.58 52.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 74.409999999999997 110.852 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 58.5 40.67 23.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 74.299999999999997 110.882 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.36 124.08 34.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 74.439999999999998 111.066 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 54.09 73.27 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 73.109999999999999 110.859 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . 0.417 ' HA ' HG13 ' C' ' 24' ' ' VAL . 9.9 p -119.11 138.03 51.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 74.340000000000003 111.13 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.91 -44.55 96.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.759 -0.734 . . . . 74.129999999999995 112.461 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.43 134.45 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 75.299999999999997 110.884 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -101.23 106.43 17.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 72.519999999999996 110.851 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.83 161.46 15.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 72.140000000000001 110.92 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.73 -131.99 27.17 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 64.329999999999998 112.49 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.08 114.03 25.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.758 0.313 . . . . 73.540000000000006 111.119 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -127.62 121.36 56.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 72.530000000000001 111.149 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 6.9 mt -129.62 118.19 44.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 73.230000000000004 111.158 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.11 -54.11 16.32 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.689 -0.767 . . . . 75.25 112.457 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.624 ' N ' ' CD1' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -152.18 146.8 25.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.772 0.32 . . . . 75.239999999999995 110.902 -179.894 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 6.5 mtp -127.89 123.1 34.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 74.129999999999995 110.908 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 59.4 t -125.53 112.39 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 63.530000000000001 111.135 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.3 31.27 34.5 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.695 -0.764 . . . . 63.530000000000001 112.483 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.12 -178.85 16.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 61.119999999999997 112.519 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 9.0 p -149.53 134.08 9.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.918 0.39 . . . . 74.109999999999999 111.123 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 72.109999999999999 111.112 179.939 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.815 0.341 . . . . 71.150000000000006 110.897 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.69 93.31 9.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 75.439999999999998 111.086 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -55.44 -27.21 46.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 71.329999999999998 110.873 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -168.98 118.18 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 73.430000000000007 110.87 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -107.27 106.4 16.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 74.140000000000001 110.899 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -108.2 119.19 38.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 74.209999999999994 110.886 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -128.28 99.44 5.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 71.319999999999993 110.863 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 8' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' D' ' 8' ' ' SER . 79.5 p -150.06 129.88 13.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 74.510000000000005 110.84 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.09 -20.25 48.9 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.742 . . . . 61.5 112.533 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -162.17 111.08 1.45 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.866 0.365 . . . . 72.510000000000005 110.931 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -110.03 120.29 41.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 64.030000000000001 110.895 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 37.6 t -136.89 137.55 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 74.150000000000006 111.082 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -130.94 113.58 14.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 72.329999999999998 110.852 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -111.17 132.02 54.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 73.540000000000006 110.839 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.96 137.5 47.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 73.099999999999994 110.925 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 7.6 tttp -123.24 120.04 31.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 75.120000000000005 110.878 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -132.09 101.97 5.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 74.209999999999994 110.937 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -111.14 120.52 61.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 75.129999999999995 111.116 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . 0.402 ' CD1' ' N ' ' E' ' 19' ' ' PHE . 1.8 m-85 -110.35 133.1 53.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 70.239999999999995 110.898 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 55.63 40.2 30.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 75.519999999999996 110.883 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.07 125.11 35.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 74.109999999999999 111.087 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 52.64 73.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 75.329999999999998 110.891 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . 0.409 ' HA ' HG13 ' D' ' 24' ' ' VAL . 9.9 p -117.01 135.93 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 71.239999999999995 111.122 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.5 -43.12 97.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 73.120000000000005 112.495 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.68 128.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 73.510000000000005 110.881 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -99.0 107.81 20.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 61.140000000000001 110.858 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.44 162.94 15.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 74.109999999999999 110.895 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.84 -133.27 27.4 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 63.200000000000003 112.469 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.78 113.78 25.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 74.239999999999995 111.08 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -127.75 119.95 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 74.200000000000003 111.149 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 6.6 mt -124.66 117.48 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 75.129999999999995 111.1 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.02 -49.21 36.87 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.735 -0.745 . . . . 71.010000000000005 112.504 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.57 ' N ' ' CD1' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -152.95 149.91 28.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 75.439999999999998 110.906 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 7.4 mtp -132.03 121.65 24.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 65.349999999999994 110.855 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 69.7 t -128.41 110.63 21.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 72.120000000000005 111.131 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.22 30.98 18.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 61.399999999999999 112.477 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.11 -178.33 17.18 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.739 . . . . 75.409999999999997 112.477 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 9.1 p -149.52 135.67 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.37 . . . . 73.209999999999994 111.092 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 19.0 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 71.409999999999997 111.128 179.875 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.81 0.338 . . . . 63.229999999999997 110.896 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.24 86.48 6.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 71.420000000000002 111.12 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -51.83 -36.32 47.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 75.140000000000001 110.911 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -158.52 115.75 2.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 72.430000000000007 110.893 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 5.5 mmt85 -107.77 108.57 19.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.129999999999995 110.901 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -110.87 113.86 26.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 71.409999999999997 110.872 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -127.56 105.68 8.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 72.219999999999999 110.86 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 8' ' ' SER . . . . . 0.444 ' O ' ' HA ' ' G' ' 8' ' ' SER . 79.3 p -144.79 127.69 16.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 75.120000000000005 110.885 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.46 -20.62 24.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.707 -0.759 . . . . 75.5 112.529 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -160.07 111.27 1.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 75.409999999999997 110.926 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -108.76 119.08 38.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.503 . . . . 72.430000000000007 110.918 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 39.1 t -138.53 136.66 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 73.409999999999997 111.156 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -132.26 113.16 12.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 72.420000000000002 110.872 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -118.28 125.46 50.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 73.329999999999998 110.845 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.71 134.78 47.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 75.230000000000004 110.944 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -126.55 123.64 38.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 74.030000000000001 110.943 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -122.61 102.74 8.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 72.349999999999994 110.996 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -110.84 112.33 40.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 72.040000000000006 111.106 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -102.05 137.46 40.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 75.209999999999994 110.916 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . 0.42 ' CZ ' ' N ' ' F' ' 33' ' ' GLY . 16.1 m-85 61.52 41.08 12.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 72.450000000000003 110.863 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.98 124.05 35.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 74.329999999999998 111.133 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 61.03 75.11 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 72.120000000000005 110.876 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 3.7 p -130.66 141.7 45.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 63.340000000000003 111.125 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.3 -47.49 87.5 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.731 . . . . 74.430000000000007 112.481 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.75 141.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 73.030000000000001 110.847 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -99.78 104.83 16.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 73.319999999999993 110.886 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.49 162.05 16.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 72.430000000000007 110.899 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . 0.553 ' HA2' ' HB3' ' A' ' 3' ' ' GLU . . . 50.26 -134.66 28.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 73.409999999999997 112.479 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.78 112.96 24.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.724 0.297 . . . . 71.219999999999999 111.145 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -126.89 129.48 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.418 . . . . 75.120000000000005 111.154 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 10.5 mt -135.91 116.2 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 62.149999999999999 111.204 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . 0.42 ' N ' ' CZ ' ' F' ' 20' ' ' PHE . . . -46.63 -55.24 8.24 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 74.530000000000001 112.465 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.6 ' N ' ' CD1' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -160.15 152.91 21.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.835 0.35 . . . . 74.409999999999997 110.894 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 5.5 mtp -131.66 128.2 38.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 71.310000000000002 110.88 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 52.2 t -121.37 115.93 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 72.439999999999998 111.134 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.6 27.54 34.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 65.230000000000004 112.442 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.53 -177.79 16.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 70.409999999999997 112.451 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 9.9 p -149.14 137.47 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.916 0.389 . . . . 73.209999999999994 111.089 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 19.6 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 75.430000000000007 111.146 179.88 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.823 0.344 . . . . 73.140000000000001 110.833 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.88 84.72 6.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 72.299999999999997 111.11 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 3' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' H' ' 3' ' ' GLU . 3.1 mm-40 -50.55 -32.27 18.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 60.210000000000001 110.85 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -165.66 115.85 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 72.540000000000006 110.84 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -109.54 108.99 19.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 74.040000000000006 110.855 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -111.53 115.59 29.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 71.140000000000001 110.883 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -127.73 104.77 8.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 64.319999999999993 110.842 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 8' ' ' SER . . . . . 0.478 ' O ' ' HA ' ' H' ' 8' ' ' SER . 79.5 p -146.72 126.06 13.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 74.150000000000006 110.897 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.09 -20.1 26.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 53.329999999999998 112.524 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -161.31 107.85 1.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 74.430000000000007 110.906 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -105.61 119.48 39.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 52.240000000000002 110.91 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 41.1 t -137.17 136.39 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 72.340000000000003 111.148 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -132.02 113.42 13.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 71.340000000000003 110.834 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -116.37 128.16 55.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 75.239999999999995 110.864 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.82 134.77 47.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 74.150000000000006 110.912 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -124.89 125.47 44.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 74.219999999999999 110.89 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.73 101.06 6.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 65.140000000000001 110.895 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 t -109.17 114.23 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 75.150000000000006 111.149 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -107.29 133.59 51.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 75.239999999999995 110.859 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . 0.411 ' CZ ' ' N ' ' G' ' 33' ' ' GLY . 18.1 m-85 62.38 39.39 12.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 75.519999999999996 110.86 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.47 127.31 36.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 71.310000000000002 111.105 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 56.43 75.72 0.33 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 72.010000000000005 110.859 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . 0.429 HG13 ' HA ' ' H' ' 24' ' ' VAL . 8.4 p -128.73 140.05 50.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 61.399999999999999 111.13 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.87 -46.01 92.91 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 62.109999999999999 112.451 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.82 140.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.909 0.385 . . . . 75.200000000000003 110.886 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -102.1 103.83 14.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 62.25 110.897 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.25 163.98 13.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 73.439999999999998 110.892 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . 0.517 ' HA2' ' HB3' ' B' ' 3' ' ' GLU . . . 49.99 -134.62 27.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.743 . . . . 73.239999999999995 112.482 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.03 113.42 25.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.786 0.326 . . . . 74.420000000000002 111.109 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -125.88 127.73 71.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 61.43 111.181 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 10.0 mt -134.03 116.72 23.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 73.120000000000005 111.123 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . 0.411 ' N ' ' CZ ' ' G' ' 20' ' ' PHE . . . -48.65 -57.24 8.64 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 53.25 112.471 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.597 ' N ' ' CD1' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -155.3 151.69 28.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 75.049999999999997 110.87 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 5.2 mtp -129.83 123.13 30.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 65.019999999999996 110.882 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 56.7 t -121.1 112.95 37.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 63.219999999999999 111.136 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.19 28.62 34.75 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.743 -0.741 . . . . 64.019999999999996 112.477 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.6 -177.79 16.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 73.549999999999997 112.519 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 7.3 p -149.81 134.84 10.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 75.209999999999994 111.148 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 75.010000000000005 111.143 179.944 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.836 0.351 . . . . 73.239999999999995 110.815 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.79 87.31 6.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 72.219999999999999 111.095 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 3' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' G' ' 3' ' ' GLU . 3.9 mm-40 -49.66 -33.98 17.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 74.209999999999994 110.945 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.95 115.33 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 73.150000000000006 110.844 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -107.68 109.58 21.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 73.209999999999994 110.861 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -111.3 113.58 26.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 72.219999999999999 110.847 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -125.15 103.74 8.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 72.510000000000005 110.868 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 8' ' ' SER . . . . . 0.485 ' O ' ' HA ' ' I' ' 8' ' ' SER . 79.7 p -145.95 125.92 13.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 74.549999999999997 110.851 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.12 -20.24 27.07 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 72.5 112.499 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -162.07 107.65 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 64.239999999999995 110.946 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -105.43 119.71 39.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 62.149999999999999 110.89 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 40.7 t -136.83 136.42 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 72.439999999999998 111.148 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -131.76 113.27 13.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 73.340000000000003 110.886 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -115.16 128.99 56.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 64.25 110.862 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.29 134.58 47.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 74.109999999999999 110.919 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -123.5 124.12 42.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.446 . . . . 75.439999999999998 110.911 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -129.19 101.16 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.409999999999997 110.936 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 1.2 t -110.6 115.39 49.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 65.030000000000001 111.091 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -107.9 133.11 52.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 75.25 110.914 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 61.12 39.94 15.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 74.439999999999998 110.867 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.02 128.53 36.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 62.140000000000001 111.091 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 52.8 75.65 0.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 75.030000000000001 110.84 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . 0.429 ' HA ' HG13 ' G' ' 24' ' ' VAL . 9.5 p -125.04 138.77 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 74.530000000000001 111.108 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.09 -44.98 94.46 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.772 -0.728 . . . . 71.530000000000001 112.46 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.28 136.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 74.140000000000001 110.815 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -101.82 103.44 14.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 73.109999999999999 110.869 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.97 164.21 13.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 74.420000000000002 110.858 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . 0.417 ' HA2' ' HB3' ' C' ' 3' ' ' GLU . . . 50.92 -134.97 31.04 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.705 -0.759 . . . . 44.329999999999998 112.474 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.78 113.8 26.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.748 0.309 . . . . 72.530000000000001 111.074 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -127.14 127.39 69.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 73.310000000000002 111.118 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 mt -131.83 117.37 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 72.219999999999999 111.162 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.57 -57.28 9.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 71.25 112.449 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . 0.609 ' CD1' ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -153.89 149.19 27.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.852 0.358 . . . . 73.230000000000004 110.863 -179.884 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 6.1 mtp -128.42 122.59 31.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 71.109999999999999 110.897 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 60.0 t -122.51 112.12 33.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.267 -0.424 . . . . 73.420000000000002 111.124 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.21 29.99 30.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.742 . . . . 75.319999999999993 112.472 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.33 -177.98 17.03 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.731 . . . . 43.020000000000003 112.5 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -149.64 132.71 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 64.319999999999993 111.153 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 18.2 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 74.310000000000002 111.136 179.889 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.773 0.321 . . . . 64.150000000000006 110.877 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.42 92.0 7.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.040000000000006 111.082 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 3' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' H' ' 3' ' ' GLU . 4.2 mm-40 -49.61 -35.89 22.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 75.340000000000003 110.903 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -169.38 116.27 0.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 71.420000000000002 110.849 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -105.7 108.78 20.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 74.340000000000003 110.869 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -110.24 113.27 25.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 74.010000000000005 110.801 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -124.95 103.85 8.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 64.25 110.873 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 8' ' ' SER . . . . . 0.485 ' HA ' ' O ' ' H' ' 8' ' ' SER . 79.4 p -146.79 125.75 12.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 71.530000000000001 110.862 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.66 -20.83 26.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.783 -0.722 . . . . 74.430000000000007 112.507 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -162.12 108.47 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 74.129999999999995 110.886 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -106.43 120.16 41.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 71.25 110.87 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 41.1 t -137.13 136.28 47.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 71.049999999999997 111.098 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -130.97 113.4 13.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 71.129999999999995 110.859 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -114.07 130.62 56.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 63.229999999999997 110.866 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.57 133.96 45.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 71.200000000000003 110.921 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 tttp -122.0 121.54 37.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 74.319999999999993 110.894 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -130.24 101.06 5.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 73.099999999999994 110.969 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -111.33 116.82 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 74.209999999999994 111.093 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' I' ' 19' ' ' PHE . 2.1 m-85 -107.96 133.24 52.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 73.530000000000001 110.882 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 59.42 39.31 22.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 73.450000000000003 110.894 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.74 128.37 36.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 70.299999999999997 111.091 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 51.62 73.62 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 74.310000000000002 110.863 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . 0.413 ' HA ' HG13 ' H' ' 24' ' ' VAL . 8.7 p -119.89 135.92 58.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 73.340000000000003 111.118 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.76 -43.69 91.85 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.749 -0.738 . . . . 74.400000000000006 112.472 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.99 132.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 72.219999999999999 110.849 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -101.39 102.41 13.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 73.200000000000003 110.916 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.63 164.73 12.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.409999999999997 110.877 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.71 -135.58 33.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 74.239999999999995 112.505 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.75 114.64 27.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.756 0.312 . . . . 64.549999999999997 111.145 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -129.32 128.2 66.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 74.120000000000005 111.124 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 7.2 mt -130.42 117.41 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 71.420000000000002 111.111 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.77 -57.72 9.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 74.430000000000007 112.494 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . 0.615 ' N ' ' CD1' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -152.58 146.3 25.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 72.099999999999994 110.936 -179.897 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 6.3 mtp -128.62 122.5 31.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 75.329999999999998 110.835 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 57.6 t -125.05 112.89 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 70.200000000000003 111.123 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.36 29.71 31.19 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.701 -0.761 . . . . 60.43 112.513 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.41 -177.6 16.95 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.716 -0.754 . . . . 73.329999999999998 112.467 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 8.6 p -149.69 134.84 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.376 . . . . 74.349999999999994 111.18 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 18.0 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 72.099999999999994 111.11 179.945 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.842 0.353 . . . . 74.329999999999998 110.868 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.08 93.64 7.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 71.439999999999998 111.08 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -49.5 -40.4 37.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 71.340000000000003 110.859 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -165.91 119.68 1.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 74.319999999999993 110.903 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -100.53 108.07 19.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 73.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -110.78 111.14 22.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 75.420000000000002 110.887 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -123.15 103.29 8.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 73.319999999999993 110.841 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 8' ' ' SER . . . . . 0.476 ' HA ' ' O ' ' I' ' 8' ' ' SER . 79.5 p -148.73 127.17 12.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 73.239999999999995 110.84 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.56 -20.18 37.37 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.739 . . . . 72.409999999999997 112.469 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -162.9 108.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 73.409999999999997 110.925 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -107.58 119.89 40.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 72.409999999999997 110.941 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 38.6 t -137.32 136.71 46.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 63.219999999999999 111.082 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -129.97 113.43 14.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 74.5 110.834 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -112.71 131.31 55.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 72.200000000000003 110.842 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.51 137.52 47.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 70.200000000000003 110.893 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -123.29 119.82 31.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 75.099999999999994 110.901 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -131.62 100.46 5.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 72.140000000000001 110.875 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.37 121.44 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 74.420000000000002 111.121 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -111.3 132.26 54.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 75.400000000000006 110.909 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 57.53 38.08 27.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 74.420000000000002 110.859 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.75 129.86 36.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 73.120000000000005 111.136 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 50.82 74.52 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 62.229999999999997 110.901 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . 0.407 ' HA ' HG13 ' I' ' 24' ' ' VAL . 7.7 p -119.11 135.03 60.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 75.109999999999999 111.076 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.52 -41.63 97.29 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 74.200000000000003 112.513 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.59 127.13 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.864 0.364 . . . . 74.439999999999998 110.867 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -101.38 99.93 10.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 74.439999999999998 110.882 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.87 168.84 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 74.200000000000003 110.903 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.19 -135.66 35.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 60.420000000000002 112.436 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.12 114.1 26.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.764 0.316 . . . . 72.099999999999994 111.09 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -128.26 127.37 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 73.450000000000003 111.078 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 7.3 mt -126.18 115.2 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 74.400000000000006 111.099 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.49 -55.61 12.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.688 -0.768 . . . . 74.230000000000004 112.542 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . 0.563 ' N ' ' CD1' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -152.85 149.25 28.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 74.049999999999997 110.888 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 7.4 mtp -132.29 121.49 23.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 75.340000000000003 110.849 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 57.8 t -128.92 110.99 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 72.450000000000003 111.13 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.62 29.39 24.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.731 . . . . 62.130000000000003 112.452 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.98 -177.0 17.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.772 -0.728 . . . . 51.020000000000003 112.451 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 9.2 p -149.01 136.33 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 74.040000000000006 111.119 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 18.5 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 72.329999999999998 111.128 179.906 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.791 0.329 . . . . 74.409999999999997 110.869 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.41 72.33 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 75.010000000000005 111.071 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -52.0 -32.14 32.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 75.5 110.824 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -158.59 113.0 2.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.420000000000002 110.891 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.42 107.28 6.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 75.109999999999999 110.925 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -108.02 123.93 49.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 75.430000000000007 110.841 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -126.16 100.47 6.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 73.299999999999997 110.902 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.2 t -149.33 176.36 10.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 60.140000000000001 110.876 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.4 -12.24 29.36 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.729 -0.748 . . . . 72.150000000000006 112.464 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.38 113.04 0.28 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.851 0.358 . . . . 72.319999999999993 110.939 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -106.49 124.82 50.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 73.340000000000003 110.883 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -136.78 113.94 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 75.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -121.82 117.08 25.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 74.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -126.25 129.91 49.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 64.409999999999997 110.815 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -132.36 135.14 45.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 72.099999999999994 110.912 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -124.38 125.76 44.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 73.310000000000002 110.855 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -120.59 101.73 7.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 73.340000000000003 110.906 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -112.46 115.61 50.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 72.349999999999994 111.098 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -103.91 142.13 34.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 73.349999999999994 110.915 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 62.97 33.84 14.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 75.140000000000001 110.942 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.47 134.24 34.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 64.510000000000005 111.121 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 61.83 76.7 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 73.120000000000005 110.877 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.2 p -146.1 145.02 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 74.120000000000005 111.115 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.19 -46.24 94.89 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 73.329999999999998 112.503 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.5 152.18 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 73.010000000000005 110.905 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.79 99.73 9.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 74.450000000000003 110.928 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.93 151.68 38.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 65.450000000000003 110.936 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.55 -125.55 26.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.808 -0.71 . . . . 74.120000000000005 112.474 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.81 113.75 27.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.756 0.312 . . . . 74.329999999999998 111.139 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.67 125.75 53.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 75.099999999999994 111.145 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.0 mt -130.91 119.96 46.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 74.219999999999999 111.126 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.99 -57.12 15.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.751 . . . . 73.349999999999994 112.475 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.601 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -156.29 149.37 24.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 74.349999999999994 110.913 -179.895 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.93 129.4 49.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 71.439999999999998 110.86 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.0 t -118.43 110.17 29.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 73.409999999999997 111.084 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.65 -55.07 4.69 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 45.329999999999998 112.491 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.55 162.21 54.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.776 -0.726 . . . . 53.200000000000003 112.473 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.6 p -156.51 143.69 10.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.842 0.353 . . . . 74.319999999999993 111.1 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.6 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 75.409999999999997 111.135 179.901 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 . . . . . 0 C--O 1.23 0.029 0 CA-C-O 120.825 0.345 . . . . 74.540000000000006 110.895 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.83 72.67 0.8 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 63.340000000000003 111.078 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -49.79 -30.52 9.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 71.140000000000001 110.891 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -158.45 111.91 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 74.010000000000005 110.924 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.97 106.88 7.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 75.420000000000002 110.902 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -108.18 124.36 50.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 74.319999999999993 110.858 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -128.94 99.83 5.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 65.140000000000001 110.909 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 16.2 t -147.34 175.88 10.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 70.25 110.876 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.21 -12.48 31.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 63.229999999999997 112.459 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.65 111.77 0.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.87 0.366 . . . . 74.420000000000002 110.943 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -104.92 124.17 49.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.501 . . . . 74.129999999999995 110.907 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 t -134.47 114.07 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 72.450000000000003 111.17 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 59.2 m170 -120.97 119.59 32.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 64.019999999999996 110.868 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -125.82 132.79 52.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 73.5 110.842 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -130.84 133.03 45.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 75.319999999999993 110.911 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -122.78 126.49 47.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 74.530000000000001 110.918 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -127.83 100.57 5.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 74.239999999999995 110.865 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 t -112.64 118.83 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 73.239999999999995 111.141 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -108.96 138.01 45.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 75.549999999999997 110.897 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 63.85 30.58 14.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 75.5 110.898 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.66 133.32 34.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 71.310000000000002 111.073 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.97 76.41 0.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 71.400000000000006 110.813 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 11.5 p -145.82 143.85 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 75.230000000000004 111.095 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.5 -45.5 95.45 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.783 -0.722 . . . . 75.140000000000001 112.496 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.82 151.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.367 . . . . 73.349999999999994 110.855 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.79 100.21 9.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 75.25 110.86 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.77 151.73 38.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 74.120000000000005 110.909 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.22 -125.38 24.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 55.549999999999997 112.455 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.94 113.12 26.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.742 0.305 . . . . 73.340000000000003 111.099 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.26 123.47 50.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 71.140000000000001 111.13 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 mt -129.74 119.96 48.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 72.430000000000007 111.138 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.03 -59.11 9.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 54.340000000000003 112.491 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.599 ' N ' ' CD1' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -153.06 147.52 25.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 74.310000000000002 110.955 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.03 123.22 36.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 63.130000000000003 110.856 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 6.7 t -117.9 111.66 35.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 75.019999999999996 111.091 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.4 -58.94 4.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.788 -0.72 . . . . 72.219999999999999 112.486 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.7 157.23 45.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 74.040000000000006 112.523 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 8.5 p -158.09 144.99 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.383 . . . . 75.25 111.138 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 13.2 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 73.140000000000001 111.113 179.939 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.853 0.359 . . . . 75.299999999999997 110.837 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.64 72.32 0.78 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 64.549999999999997 111.129 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -50.31 -30.66 12.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 62.450000000000003 110.871 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -158.42 112.21 2.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 73.239999999999995 110.837 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.93 106.98 8.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 74.409999999999997 110.882 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -109.11 122.97 48.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 63.119999999999997 110.872 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -128.71 100.13 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 74.299999999999997 110.9 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 16.4 t -147.41 175.62 10.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 60.399999999999999 110.836 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.52 -12.07 31.67 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.764 -0.731 . . . . 73.349999999999994 112.524 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.58 111.4 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 74.420000000000002 110.937 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -105.47 123.81 48.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 75.310000000000002 110.867 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 t -133.19 113.91 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 73.340000000000003 111.108 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 58.6 m170 -120.85 118.03 28.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 74.140000000000001 110.872 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -124.27 134.04 53.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 74.5 110.852 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -130.21 132.97 46.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 73.549999999999997 110.906 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -121.57 125.16 46.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 75.150000000000006 110.945 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -130.51 100.47 5.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 73.329999999999998 110.885 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 1.4 t -113.8 119.76 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.219999999999999 111.088 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' C' ' 19' ' ' PHE . 1.4 m-85 -109.97 137.17 48.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 74.340000000000003 110.904 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 63.16 29.96 16.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 74.510000000000005 110.887 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.94 135.27 33.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 75.200000000000003 111.057 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 58.54 77.04 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 73.439999999999998 110.895 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 11.8 p -144.93 143.18 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 73.519999999999996 111.141 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.9 -45.59 94.85 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.737 . . . . 63.039999999999999 112.509 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.96 150.21 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.907 0.384 . . . . 63.43 110.826 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.43 99.94 9.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 71.430000000000007 110.885 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.4 152.25 37.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 74.340000000000003 110.889 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.45 -125.68 23.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 75.310000000000002 112.494 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.41 113.12 26.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.694 0.283 . . . . 72.450000000000003 111.114 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.3 123.32 50.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 71.530000000000001 111.155 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 mt -129.09 119.67 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 75.530000000000001 111.115 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.9 -59.55 8.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 75.329999999999998 112.518 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.617 ' CD1' ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -152.61 146.17 24.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.821 0.343 . . . . 75.310000000000002 110.876 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.74 122.36 32.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 60.229999999999997 110.924 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 5.7 t -118.93 110.43 29.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 72.150000000000006 111.14 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.84 -58.26 3.88 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 70.430000000000007 112.509 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.24 158.61 46.07 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.742 . . . . 64.400000000000006 112.535 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 7.7 p -163.36 149.33 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 74.420000000000002 111.097 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 9.7 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 75.25 111.113 179.936 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.848 0.356 . . . . 75.200000000000003 110.904 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.48 72.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 75.230000000000004 111.061 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -51.02 -30.12 14.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 73.420000000000002 110.915 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -158.9 112.28 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 75.299999999999997 110.866 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.48 107.37 9.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 74.219999999999999 110.914 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -109.21 121.29 44.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 75.129999999999995 110.882 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -127.92 100.25 5.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 74.409999999999997 110.892 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 15.9 t -147.5 175.3 10.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 52.25 110.844 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.09 -11.51 31.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.742 . . . . 60.210000000000001 112.507 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.32 111.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.852 0.358 . . . . 74.519999999999996 110.928 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -105.39 124.69 49.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 74.450000000000003 110.841 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.87 114.12 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 71.340000000000003 111.089 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -121.65 118.0 28.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 75.239999999999995 110.851 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -124.84 135.41 52.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 72.510000000000005 110.854 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -130.42 133.04 46.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 75.129999999999995 110.845 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -120.72 121.71 38.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 75.140000000000001 110.896 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -131.0 99.81 5.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 72.140000000000001 110.921 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -113.67 121.67 66.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.219999999999999 111.147 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 0.451 ' N ' ' CD1' ' D' ' 19' ' ' PHE . 1.0 OUTLIER -111.64 137.73 49.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 71.120000000000005 110.87 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 61.45 28.52 17.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 71.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.63 136.83 32.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 63.340000000000003 111.076 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 56.56 78.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.430000000000007 110.908 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 11.4 p -145.6 141.74 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 72.540000000000006 111.08 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.09 -44.62 94.63 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 64.019999999999996 112.485 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.6 148.46 0.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.898 0.38 . . . . 53.219999999999999 110.858 -179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -104.22 99.43 9.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 74.409999999999997 110.875 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.28 153.12 36.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 72.230000000000004 110.918 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.23 -126.53 22.92 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.67 -0.776 . . . . 73.200000000000003 112.501 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.65 112.83 25.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.765 0.317 . . . . 72.319999999999993 111.135 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.97 123.29 44.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 72.420000000000002 111.12 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 6.6 mt -128.11 119.77 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 71.200000000000003 111.146 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.0 -61.46 6.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 64.040000000000006 112.483 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.633 ' N ' ' CD1' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -151.31 144.22 24.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.778 0.323 . . . . 75.519999999999996 110.948 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.94 123.37 32.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 75.200000000000003 110.839 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 6.7 t -121.78 109.14 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 74.340000000000003 111.143 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.9 -59.16 3.49 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 72.329999999999998 112.461 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.55 159.59 48.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 70.530000000000001 112.492 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 8.7 p -165.86 153.62 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.37 . . . . 74.430000000000007 111.099 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 9.0 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 75.040000000000006 111.167 179.886 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.815 0.341 . . . . 74.120000000000005 110.849 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.65 72.35 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 62.420000000000002 111.146 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -51.32 -29.75 16.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 52.219999999999999 110.864 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -158.81 114.34 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 75.040000000000006 110.898 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.17 107.52 9.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 72.400000000000006 110.848 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -109.36 120.54 42.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 74.519999999999996 110.863 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -128.44 99.95 5.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 74.430000000000007 110.816 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 16.3 t -148.49 172.71 14.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 73.099999999999994 110.823 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.09 -11.77 35.92 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 75.219999999999999 112.481 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.38 110.43 0.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.87 0.367 . . . . 75.329999999999998 110.931 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -105.24 125.95 51.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 52.130000000000003 110.917 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.33 118.04 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 75.099999999999994 111.08 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -120.39 118.85 31.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 74.510000000000005 110.882 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -122.46 135.71 54.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 72.439999999999998 110.868 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -133.69 134.61 43.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 74.310000000000002 110.906 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -122.77 120.5 33.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 75.109999999999999 110.887 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -133.09 99.88 4.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 62.030000000000001 110.885 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.96 124.3 69.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 70.209999999999994 111.07 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' E' ' 19' ' ' PHE . 0.8 OUTLIER -114.92 136.5 53.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 72.040000000000006 110.884 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 58.88 28.21 17.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 63.530000000000001 110.862 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.17 138.77 31.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 72.5 111.058 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 55.33 78.4 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 75.150000000000006 110.842 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 11.4 p -145.82 139.63 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 73.129999999999995 111.115 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.9 -43.9 92.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.754 . . . . 74.120000000000005 112.505 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.89 145.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.88 0.371 . . . . 74.329999999999998 110.887 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.68 99.04 8.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 74.109999999999999 110.872 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.44 154.05 37.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 74.5 110.898 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.79 -127.51 22.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.714 -0.755 . . . . 61.409999999999997 112.509 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.0 112.63 25.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.758 0.313 . . . . 74.010000000000005 111.067 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -135.32 124.14 40.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 75.439999999999998 111.144 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 7.7 mt -126.57 120.02 55.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 72.439999999999998 111.143 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.26 -59.39 8.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 41.43 112.518 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.6 ' N ' ' CD1' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -151.67 146.45 25.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.342 . . . . 74.319999999999993 110.901 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -137.12 122.7 19.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 75.540000000000006 110.846 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 t -125.68 108.27 19.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 74.049999999999997 111.164 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.84 -59.24 3.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 75.340000000000003 112.489 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.71 160.24 46.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 73.099999999999994 112.462 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 12.6 p -165.82 151.96 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.342 . . . . 71.519999999999996 111.149 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 75.519999999999996 111.1 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.813 0.339 . . . . 62.210000000000001 110.841 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.64 72.91 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.409999999999997 111.108 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -51.85 -32.3 31.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 74.219999999999999 110.919 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -157.74 114.12 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 74.349999999999994 110.837 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.6 107.52 6.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 74.510000000000005 110.878 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -107.35 123.13 47.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 72.319999999999993 110.872 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -124.63 100.97 6.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 62.420000000000002 110.872 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 16.8 t -150.16 176.33 10.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 74.140000000000001 110.854 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.61 -12.22 27.01 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.754 -0.736 . . . . 73.140000000000001 112.481 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.43 111.8 0.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.88 0.371 . . . . 73.540000000000006 110.89 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -106.07 123.8 48.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.502 . . . . 63.340000000000003 110.902 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -137.89 112.9 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 75.010000000000005 111.117 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 64.9 m170 -121.72 120.36 34.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 73.450000000000003 110.84 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -126.2 129.35 48.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 63.310000000000002 110.861 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -130.59 134.56 47.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 73.319999999999993 110.903 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -124.38 124.97 43.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 74.120000000000005 110.885 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -119.8 101.61 8.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.433 . . . . 74.439999999999998 110.935 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -112.42 115.49 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 74.409999999999997 111.112 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -103.12 142.13 34.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 73.040000000000006 110.897 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . 0.403 ' CZ ' ' N ' ' F' ' 33' ' ' GLY . 23.9 m-85 63.09 33.73 14.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 74.420000000000002 110.909 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.33 135.11 33.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 73.409999999999997 111.066 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 62.05 76.34 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 74.209999999999994 110.913 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 11.6 p -146.43 144.23 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 72.510000000000005 111.138 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.82 -45.96 95.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 74.329999999999998 112.49 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.17 151.28 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.368 . . . . 73.450000000000003 110.911 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.46 99.2 9.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 72.420000000000002 110.914 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -120.12 151.51 38.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 74.219999999999999 110.863 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.35 -126.77 25.82 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.75 -0.738 . . . . 71.439999999999998 112.542 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.54 114.04 27.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.767 0.318 . . . . 64.439999999999998 111.09 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.48 126.36 55.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 73.200000000000003 111.157 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 mt -130.3 119.34 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 71.329999999999998 111.128 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . 0.403 ' N ' ' CZ ' ' F' ' 20' ' ' PHE . . . -52.8 -58.33 11.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 75.409999999999997 112.496 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.612 ' N ' ' CD1' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -155.81 149.22 24.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.841 0.353 . . . . 75.349999999999994 110.902 -179.883 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -125.36 128.16 47.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 73.310000000000002 110.893 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 15.5 t -117.94 110.36 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 72.519999999999996 111.158 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.67 -55.73 4.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 54.219999999999999 112.542 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.39 157.69 49.83 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.713 -0.756 . . . . 72.510000000000005 112.525 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 11.1 p -156.8 141.78 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.35 . . . . 71.230000000000004 111.115 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 75.25 111.074 179.935 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.826 0.345 . . . . 74.540000000000006 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.33 73.2 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 73.230000000000004 111.133 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -50.64 -30.79 14.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 75.25 110.859 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -157.67 112.7 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 64.25 110.924 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.92 106.85 7.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 74.209999999999994 110.864 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -107.77 122.95 47.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 70.109999999999999 110.811 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -127.26 99.96 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 73.140000000000001 110.874 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 16.6 t -147.92 176.08 10.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 74.510000000000005 110.852 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.6 -13.16 28.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 52.329999999999998 112.492 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.9 111.29 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.373 . . . . 75.239999999999995 110.9 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -105.18 124.19 49.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 74.239999999999995 110.89 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -135.28 113.43 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 64.310000000000002 111.118 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 65.5 m170 -120.24 120.27 35.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 74.329999999999998 110.876 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -123.78 132.88 53.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 74.099999999999994 110.882 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -129.94 132.82 46.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 60.409999999999997 110.906 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -123.28 126.3 46.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 74.5 110.937 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -127.94 100.55 5.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 70.329999999999998 110.924 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 t -112.73 118.87 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 74.239999999999995 111.102 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -108.73 137.82 46.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 74.329999999999998 110.935 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 64.02 30.87 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 74.439999999999998 110.891 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.81 134.34 33.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 64.200000000000003 111.103 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.75 76.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 62.310000000000002 110.884 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 11.3 p -146.08 143.44 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 73.439999999999998 111.131 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.9 -45.12 96.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.744 . . . . 73.129999999999995 112.473 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.21 151.38 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.913 0.387 . . . . 75.239999999999995 110.851 -179.699 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.97 99.76 9.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 73.129999999999995 110.869 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -119.84 152.42 37.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 73.549999999999997 110.914 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.43 -125.87 24.29 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.783 -0.723 . . . . 72.129999999999995 112.445 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.11 113.19 26.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.779 0.323 . . . . 73.010000000000005 111.123 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.88 123.47 51.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 73.519999999999996 111.137 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 mt -129.46 119.42 48.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 72.099999999999994 111.1 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.82 -60.31 7.63 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 45.329999999999998 112.485 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.605 ' N ' ' CD1' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -152.22 147.93 26.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.76 0.314 . . . . 75.329999999999998 110.955 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.95 122.2 33.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 74.209999999999994 110.886 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 14.0 t -117.94 111.68 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 70.510000000000005 111.107 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.1 -57.1 4.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 75.540000000000006 112.487 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.52 154.59 38.48 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 72.450000000000003 112.442 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 9.2 p -157.81 144.39 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 75.040000000000006 111.083 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 8.9 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 75.209999999999994 111.13 179.895 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.832 0.349 . . . . 72.439999999999998 110.878 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.44 73.37 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 74.200000000000003 111.071 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -50.27 -31.09 13.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 73.209999999999994 110.905 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -158.0 112.58 2.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 72.209999999999994 110.912 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.52 107.01 8.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 74.299999999999997 110.881 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -108.84 121.78 45.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 72.329999999999998 110.864 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -128.17 99.89 5.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 74.200000000000003 110.901 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 16.4 t -147.01 175.62 10.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 65.439999999999998 110.883 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.86 -12.66 31.58 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.754 -0.736 . . . . 61.420000000000002 112.484 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.75 111.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 74.299999999999997 110.962 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -105.55 124.0 48.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 73.540000000000006 110.898 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 t -134.49 113.51 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 74.319999999999993 111.134 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -120.51 118.71 30.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 75.239999999999995 110.864 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -122.81 135.6 54.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 74.129999999999995 110.897 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -130.82 132.52 45.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 72.140000000000001 110.933 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -121.7 124.18 43.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 75.219999999999999 110.901 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -130.13 100.41 5.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 72.439999999999998 110.919 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 1.4 t -114.07 119.49 61.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 74.019999999999996 111.073 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' H' ' 19' ' ' PHE . 1.4 m-85 -109.37 137.03 47.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 73.319999999999993 110.89 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 63.22 30.31 15.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 72.510000000000005 110.879 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.06 135.36 33.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 72.25 111.102 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 58.78 77.68 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 74.230000000000004 110.904 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 11.6 p -145.81 143.25 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 75.239999999999995 111.107 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.33 -45.48 95.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.749 . . . . 71.129999999999995 112.454 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.45 149.9 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 64.239999999999995 110.864 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.52 99.43 9.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 75.530000000000001 110.958 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -119.53 152.22 37.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 74.030000000000001 110.882 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.15 -126.3 22.82 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.725 -0.75 . . . . 72.109999999999999 112.492 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.18 112.97 26.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.741 0.305 . . . . 55.420000000000002 111.098 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.22 123.62 50.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 73.219999999999999 111.109 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 mt -129.27 119.43 48.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 73.430000000000007 111.17 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.93 -60.12 7.92 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 73.040000000000006 112.502 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . 0.617 ' CD1' ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -152.0 146.06 25.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 75.540000000000006 110.874 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.43 122.51 33.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 72.219999999999999 110.845 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 12.1 t -119.45 111.12 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 62.310000000000002 111.124 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.48 -58.55 3.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.736 . . . . 65.420000000000002 112.475 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.26 157.86 45.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 73.319999999999993 112.5 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 7.7 p -162.38 147.46 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 71.25 111.066 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 10.2 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 75.200000000000003 111.128 179.884 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.792 0.329 . . . . 73.129999999999995 110.852 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.44 72.71 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 74.150000000000006 111.045 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -51.34 -30.51 18.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 73.319999999999993 110.84 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -158.74 112.8 2.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 75.5 110.902 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.02 107.56 9.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 74.230000000000004 110.875 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -108.91 120.57 42.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 74.409999999999997 110.84 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -128.31 100.09 5.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 74.329999999999998 110.885 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 16.6 t -147.17 175.14 10.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 74.329999999999998 110.885 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.45 -11.87 32.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 74.310000000000002 112.5 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.55 111.05 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.803 0.335 . . . . 72.230000000000004 110.938 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -104.86 125.24 50.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 74.519999999999996 110.861 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 22.0 t -134.65 114.26 17.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 74.239999999999995 111.105 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 58.5 m170 -121.47 118.64 29.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 73.510000000000005 110.854 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -123.94 135.71 53.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 73.319999999999993 110.872 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -130.61 132.81 45.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 72.439999999999998 110.972 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -120.86 121.64 38.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 73.549999999999997 110.931 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -131.27 99.66 4.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.438 . . . . 75.299999999999997 110.893 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -113.75 122.05 67.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 75.310000000000002 111.133 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . 0.43 ' N ' ' CD1' ' I' ' 19' ' ' PHE . 1.0 OUTLIER -111.43 137.81 48.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 74.530000000000001 110.863 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 61.26 28.64 18.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 64.120000000000005 110.923 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.5 136.54 32.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 62.219999999999999 111.134 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 57.14 77.88 0.25 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 75.409999999999997 110.887 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 11.2 p -145.48 142.2 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 62.140000000000001 111.09 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.85 -44.62 95.87 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.752 -0.737 . . . . 72.349999999999994 112.481 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.42 148.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.38 . . . . 75.219999999999999 110.859 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -104.35 99.21 8.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 72.409999999999997 110.94 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -120.43 152.28 38.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 73.030000000000001 110.909 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.45 -126.55 19.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 75.319999999999993 112.508 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.61 112.72 25.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.778 0.323 . . . . 65.200000000000003 111.107 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.51 124.11 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 73.209999999999994 111.125 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 mt -128.86 120.27 51.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 70.310000000000002 111.13 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.3 -61.92 5.86 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 74.319999999999993 112.449 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . 0.628 ' N ' ' CD1' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -150.92 144.15 24.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.803 0.335 . . . . 72.420000000000002 110.922 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.35 123.38 33.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 72.129999999999995 110.869 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 11.9 t -122.7 109.73 24.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 74.439999999999998 111.118 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.44 -59.34 3.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 71.010000000000005 112.462 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.44 159.68 46.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 71.439999999999998 112.46 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 8.1 p -165.56 153.17 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 71.040000000000006 111.156 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 9.0 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 73.450000000000003 111.171 179.899 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.843 0.354 . . . . 74.340000000000003 110.858 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.46 73.57 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 61.149999999999999 111.136 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -50.84 -30.74 15.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 65.519999999999996 110.879 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -159.15 114.67 2.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 72.510000000000005 110.915 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.45 107.8 9.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 74.519999999999996 110.88 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -108.9 119.72 40.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 75.450000000000003 110.859 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -128.72 100.03 5.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 71.450000000000003 110.87 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 16.4 t -148.23 172.2 14.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 70.129999999999995 110.861 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.44 -11.65 37.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 71.340000000000003 112.487 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.47 109.68 0.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.36 . . . . 65.209999999999994 110.917 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -104.65 124.91 50.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 73.099999999999994 110.876 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 22.0 t -133.07 116.54 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 71.299999999999997 111.115 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -120.32 118.59 30.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 72.219999999999999 110.869 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -122.19 136.11 54.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 75.340000000000003 110.838 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -132.35 135.34 46.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 65.109999999999999 110.9 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -122.56 120.14 32.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 70.349999999999994 110.941 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -133.13 99.74 4.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 73.120000000000005 110.908 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -113.14 124.24 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 55.43 111.123 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' J' ' 19' ' ' PHE . 0.8 OUTLIER -114.34 136.43 52.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 65.0 110.863 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 59.03 28.31 17.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 74.439999999999998 110.901 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.56 139.05 31.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 73.239999999999995 111.099 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 54.82 78.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 70.019999999999996 110.842 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 11.2 p -145.63 139.82 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 75.219999999999999 111.069 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.32 -44.3 93.48 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.719 -0.753 . . . . 63.439999999999998 112.488 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.79 145.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.371 . . . . 73.140000000000001 110.845 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.33 98.77 8.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 75.219999999999999 110.889 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -121.34 153.08 38.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 74.140000000000001 110.907 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.07 -127.57 18.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.76 -0.733 . . . . 71.150000000000006 112.514 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.04 112.52 25.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.319 . . . . 71.209999999999994 111.069 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -135.82 125.45 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 75.420000000000002 111.084 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 mt -127.32 120.29 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.329999999999998 111.149 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.58 -60.04 8.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.751 . . . . 71.400000000000006 112.514 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . 0.6 ' N ' ' CD1' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -150.88 146.36 26.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.806 0.336 . . . . 74.349999999999994 110.924 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -136.74 122.79 20.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.140000000000001 110.892 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 18.8 t -126.69 108.65 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 71.409999999999997 111.145 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.79 -58.9 3.46 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 62.210000000000001 112.452 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.64 160.67 45.55 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 71.450000000000003 112.496 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 11.2 p -166.71 153.36 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.873 0.368 . . . . 74.450000000000003 111.132 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 75.030000000000001 111.144 179.916 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.825 0.345 . . . . 74.010000000000005 110.891 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.18 89.38 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 72.099999999999994 111.101 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.55 -38.47 84.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 74.310000000000002 110.904 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -142.17 112.37 7.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 71.430000000000007 110.904 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -135.73 107.63 7.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 72.129999999999995 110.867 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -107.39 119.71 40.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 73.549999999999997 110.866 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -116.46 100.96 8.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 71.310000000000002 110.885 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.8 m -154.07 177.34 11.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.409999999999997 110.836 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.96 -32.9 5.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 70.409999999999997 112.531 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -144.43 128.73 17.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 73.299999999999997 110.941 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -111.8 117.76 33.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 73.439999999999998 110.87 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.2 t -131.91 113.8 23.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 74.200000000000003 111.117 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -115.13 113.31 23.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 74.319999999999993 110.876 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -124.71 121.4 34.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 75.040000000000006 110.892 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.11 132.94 56.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 74.430000000000007 110.9 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -132.11 116.12 16.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 75.219999999999999 110.91 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -123.05 109.02 13.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 73.420000000000002 110.907 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.9 t -108.61 112.66 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 73.400000000000006 111.108 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -111.0 106.44 15.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 72.409999999999997 110.9 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.4 ' CD1' ' HA2' ' A' ' 33' ' ' GLY . 8.7 m-85 62.01 80.26 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 74.409999999999997 110.9 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.43 135.36 53.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 72.010000000000005 111.138 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 54.62 73.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 75.439999999999998 110.866 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.1 p -112.26 144.41 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 74.540000000000006 111.146 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.67 -49.06 45.89 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.704 -0.76 . . . . 53.240000000000002 112.468 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -160.98 133.07 5.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.373 . . . . 74.420000000000002 110.83 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -102.82 101.51 11.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 73.430000000000007 110.877 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -113.91 166.7 11.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 55.130000000000003 110.932 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.11 -130.62 47.52 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.695 -0.764 . . . . 62.409999999999997 112.504 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.91 111.66 23.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.342 . . . . 74.129999999999995 111.09 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . 0.453 HG13 HG22 ' B' ' 31' ' ' ILE . 0.0 OUTLIER -122.29 115.18 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 75.239999999999995 111.146 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -130.99 122.61 52.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 75.140000000000001 111.118 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . 0.4 ' HA2' ' CD1' ' A' ' 20' ' ' PHE . . . -52.41 -49.99 49.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 54.119999999999997 112.514 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.602 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -165.42 148.86 8.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 75.140000000000001 110.913 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.8 ttp -132.2 123.85 27.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.409999999999997 110.903 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 91.3 t -143.71 110.93 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 61.119999999999997 111.13 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.54 -10.94 67.6 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 35.420000000000002 112.47 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.59 159.94 13.48 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 75.510000000000005 112.434 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.2 t -131.81 142.45 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.859 0.362 . . . . 75.219999999999999 111.102 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.2 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 74.109999999999999 111.123 179.928 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.857 0.361 . . . . 72.420000000000002 110.883 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.63 89.37 2.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 75.400000000000006 111.089 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.15 -37.74 81.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 73.010000000000005 110.92 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -143.35 111.11 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 74.349999999999994 110.831 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -131.57 107.7 9.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 73.099999999999994 110.873 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -110.6 118.35 35.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 75.340000000000003 110.85 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -115.65 101.33 8.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 73.129999999999995 110.9 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 25.4 m -152.26 176.82 11.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 72.420000000000002 110.858 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.49 -32.91 5.83 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.791 -0.719 . . . . 75.129999999999995 112.49 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -144.56 128.14 17.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.815 0.34 . . . . 71.450000000000003 110.922 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -109.05 117.45 34.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 62.409999999999997 110.918 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.4 t -128.91 113.78 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 64.129999999999995 111.1 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -116.72 113.07 22.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 63.009999999999998 110.851 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -123.83 123.48 40.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 74.329999999999998 110.847 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.57 132.55 56.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 73.349999999999994 110.907 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -127.94 116.32 19.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 74.019999999999996 110.886 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -124.32 105.08 9.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 74.150000000000006 110.876 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 94.4 t -107.8 112.06 38.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 72.329999999999998 111.11 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -111.3 104.0 12.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 73.420000000000002 110.851 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 61.44 79.89 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 74.299999999999997 110.862 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.5 133.39 53.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 64.310000000000002 111.104 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 56.35 73.68 0.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 75.409999999999997 110.887 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 p -111.42 143.78 20.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 74.540000000000006 111.1 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.03 -47.13 39.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 45.219999999999999 112.48 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -160.97 131.74 5.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 74.420000000000002 110.877 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -102.22 100.38 10.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 65.299999999999997 110.91 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -114.1 169.53 8.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 70.200000000000003 110.867 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.87 -129.05 38.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 74.450000000000003 112.479 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.16 112.29 24.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.766 0.317 . . . . 70.129999999999995 111.097 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.541 HG12 ' HA ' ' C' ' 31' ' ' ILE . 0.0 OUTLIER -118.76 113.83 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 70.430000000000007 111.134 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -130.63 122.07 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 64.319999999999993 111.108 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.98 -46.38 93.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 61.509999999999998 112.507 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.608 ' N ' ' CD1' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -163.98 147.36 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 72.0 110.874 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 3.6 ttp -132.75 123.08 25.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 73.450000000000003 110.868 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 89.8 t -147.74 110.44 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 74.439999999999998 111.138 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.05 -8.78 71.97 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.764 -0.731 . . . . 61.509999999999998 112.487 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.12 158.35 14.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 75.230000000000004 112.479 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 78.0 t -133.87 139.09 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.368 . . . . 64.310000000000002 111.139 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 22.8 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 74.439999999999998 111.084 179.96 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.802 0.334 . . . . 72.230000000000004 110.869 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.74 89.06 2.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 75.530000000000001 111.139 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.8 -38.03 80.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 75.209999999999994 110.843 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -143.3 110.55 5.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 74.420000000000002 110.889 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -128.21 107.74 10.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 70.239999999999995 110.929 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -112.21 117.45 32.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 70.340000000000003 110.888 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -115.07 101.75 9.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 70.209999999999994 110.856 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 24.2 m -153.15 176.04 12.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 71.219999999999999 110.894 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.19 -32.41 5.83 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 60.109999999999999 112.478 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -144.91 127.77 16.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.894 0.378 . . . . 74.530000000000001 110.921 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -107.12 118.23 36.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.09 -0.505 . . . . 74.420000000000002 110.884 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 43.0 t -127.5 113.35 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 74.120000000000005 111.099 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -117.67 113.26 21.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 75.349999999999994 110.875 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -124.75 123.73 40.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.439999999999998 110.888 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.95 131.89 56.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 74.340000000000003 110.952 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.67 116.44 22.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 75.439999999999998 110.883 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -125.32 103.14 7.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.284 -0.416 . . . . 75.040000000000006 110.935 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 97.4 t -107.47 112.37 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 74.430000000000007 111.16 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -108.78 101.12 10.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 73.109999999999999 110.909 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 60.01 82.69 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 65.5 110.892 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.19 133.81 52.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 73.409999999999997 111.119 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 56.88 74.02 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 75.239999999999995 110.9 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 p -111.34 144.12 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 75.5 111.14 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.3 -46.62 40.85 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.747 . . . . 71.150000000000006 112.462 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -160.89 131.36 5.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.912 0.387 . . . . 75.010000000000005 110.878 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -102.25 100.12 10.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 75.409999999999997 110.906 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -114.75 170.2 8.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 73.019999999999996 110.925 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.09 -129.35 39.36 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.702 -0.761 . . . . 74.400000000000006 112.53 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.4 111.9 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 71.239999999999995 111.072 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . 0.612 HG12 ' HA ' ' D' ' 31' ' ' ILE . 0.0 OUTLIER -116.67 111.49 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 73.340000000000003 111.119 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -128.87 122.01 55.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 74.230000000000004 111.139 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.54 -46.7 93.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 75.219999999999999 112.456 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.617 ' CD1' ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -161.46 146.11 13.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.833 0.349 . . . . 73.109999999999999 110.92 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 4.0 ttp -131.66 122.0 25.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 73.409999999999997 110.838 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 84.8 t -150.17 109.88 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 72.319999999999993 111.149 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.17 -8.12 72.23 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.703 -0.76 . . . . 74.209999999999994 112.477 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.49 156.67 15.44 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 63.310000000000002 112.491 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 78.9 t -134.17 138.29 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.359 . . . . 75.209999999999994 111.116 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 24.1 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 64.439999999999998 111.15 179.848 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.852 0.358 . . . . 65.150000000000006 110.862 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.12 89.14 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 73.230000000000004 111.13 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.91 -38.61 82.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 74.299999999999997 110.909 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -143.31 110.74 5.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 75.310000000000002 110.908 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -125.96 108.41 11.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 63.130000000000003 110.851 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -114.21 116.85 29.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 72.310000000000002 110.889 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -114.14 102.32 10.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 72.019999999999996 110.847 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 25.8 m -155.02 175.07 14.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.099999999999994 110.87 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.86 -31.71 5.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 60.43 112.467 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -145.23 128.6 16.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.896 0.379 . . . . 74.310000000000002 110.936 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -106.52 119.77 40.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.499 . . . . 75.049999999999997 110.86 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 43.3 t -126.86 112.62 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 73.109999999999999 111.133 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -117.96 113.41 21.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 70.340000000000003 110.838 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -123.97 123.09 39.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 72.310000000000002 110.882 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.7 132.19 56.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 72.349999999999994 110.946 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -123.81 117.07 24.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 72.510000000000005 110.903 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -128.85 101.31 6.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 75.530000000000001 110.922 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 89.2 t -105.92 113.99 44.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 75.129999999999995 111.109 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -107.54 99.44 8.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 75.510000000000005 110.887 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 59.81 83.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 75.310000000000002 110.918 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.64 134.59 52.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 74.120000000000005 111.118 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 56.9 74.19 0.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 74.120000000000005 110.911 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 p -112.28 143.51 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 74.019999999999996 111.103 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.9 -46.15 38.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.805 -0.712 . . . . 73.420000000000002 112.454 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -160.6 131.82 5.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.861 0.362 . . . . 74.230000000000004 110.854 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -102.5 99.61 9.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 71.140000000000001 110.86 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -114.7 170.96 7.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 74.319999999999993 110.884 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.86 -129.13 38.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.775 -0.726 . . . . 64.200000000000003 112.465 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . 0.451 ' O ' HG12 ' C' ' 31' ' ' ILE . . . -106.73 111.87 24.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.714 0.292 . . . . 70.120000000000005 111.109 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . 0.612 ' HA ' HG12 ' C' ' 31' ' ' ILE . 0.0 OUTLIER -114.65 110.44 32.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 75.420000000000002 111.138 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -127.92 121.18 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 74.439999999999998 111.095 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.0 -45.79 94.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 54.539999999999999 112.47 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.614 ' N ' ' CD1' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -160.49 145.44 14.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.766 0.317 . . . . 74.519999999999996 110.932 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 4.9 ttp -132.11 120.94 22.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 73.409999999999997 110.898 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 92.8 t -150.98 109.15 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 74.030000000000001 111.133 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.92 -6.97 72.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 73.129999999999995 112.51 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.79 155.29 16.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.702 -0.761 . . . . 45.340000000000003 112.511 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 77.1 t -135.31 138.03 49.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.904 0.383 . . . . 73.310000000000002 111.103 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 72.200000000000003 111.122 179.897 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.86 0.362 . . . . 73.319999999999993 110.847 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.28 88.76 2.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 73.340000000000003 111.119 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.41 -35.71 76.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 64.409999999999997 110.868 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -144.75 112.74 6.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 73.209999999999994 110.852 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -126.28 105.35 8.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 74.310000000000002 110.895 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -114.86 115.29 26.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 75.140000000000001 110.838 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -111.37 100.89 9.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 73.230000000000004 110.915 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 25.7 m -154.9 170.72 21.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 54.539999999999999 110.833 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.5 -29.99 7.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 75.109999999999999 112.437 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -146.66 128.72 15.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.362 . . . . 72.040000000000006 110.924 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -106.8 119.99 40.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 74.209999999999994 110.893 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 43.5 t -124.71 113.61 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 72.120000000000005 111.097 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -118.61 112.67 20.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 75.140000000000001 110.887 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -123.01 124.39 43.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 75.430000000000007 110.875 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.6 134.43 55.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 72.420000000000002 110.95 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -123.44 116.14 22.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 74.209999999999994 110.91 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -129.27 103.76 7.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 75.030000000000001 110.946 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 92.3 t -105.92 115.06 46.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 75.299999999999997 111.096 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -107.79 96.11 6.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 74.530000000000001 110.849 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 60.39 82.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 71.430000000000007 110.882 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.79 134.77 50.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 62.240000000000002 111.132 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 54.73 74.69 0.34 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 74.319999999999993 110.897 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 3.3 p -110.32 142.97 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 65.030000000000001 111.099 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.94 -45.28 27.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 71.040000000000006 112.501 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.2 m -161.03 132.37 5.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.905 0.384 . . . . 73.129999999999995 110.808 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -101.72 99.29 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 72.239999999999995 110.919 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -114.85 170.21 8.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 73.230000000000004 110.927 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.91 -130.82 40.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.764 -0.731 . . . . 71.329999999999998 112.458 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . 0.464 ' O ' HG12 ' D' ' 31' ' ' ILE . . . -104.12 113.49 27.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.739 0.304 . . . . 75.299999999999997 111.053 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . 0.605 ' HA ' HG12 ' D' ' 31' ' ' ILE . 0.0 OUTLIER -111.58 111.99 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 74.5 111.116 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -130.04 113.69 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 74.549999999999997 111.112 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.04 -40.23 98.22 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.74 -0.743 . . . . 55.530000000000001 112.509 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.613 ' N ' ' CD1' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -163.01 145.44 10.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.796 0.331 . . . . 74.329999999999998 110.923 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.8 ttp -134.51 120.88 20.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 73.019999999999996 110.906 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 96.6 t -151.46 108.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 62.530000000000001 111.12 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.76 -4.01 66.99 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 72.200000000000003 112.466 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.26 155.16 16.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 75.049999999999997 112.528 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 69.7 t -135.42 139.41 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 74.530000000000001 111.117 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 72.019999999999996 111.123 179.919 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 . . . . . 0 CA--C 1.526 0.051 0 CA-C-O 120.857 0.361 . . . . 75.129999999999995 110.837 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.33 88.46 2.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 74.219999999999999 111.119 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.21 -39.09 85.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 73.349999999999994 110.844 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -142.9 112.89 7.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 75.530000000000001 110.844 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -135.52 108.29 7.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 74.530000000000001 110.867 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -108.32 118.45 36.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 71.450000000000003 110.869 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -115.17 101.41 8.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 75.519999999999996 110.857 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 27.9 m -154.02 176.81 11.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 73.319999999999993 110.833 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.89 -32.84 6.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.703 -0.761 . . . . 73.099999999999994 112.477 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -144.69 129.03 17.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 74.319999999999993 110.957 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -111.19 117.85 34.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 74.430000000000007 110.896 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -131.55 114.02 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 74.540000000000006 111.166 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -114.9 113.48 24.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 74.340000000000003 110.855 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -125.39 120.59 31.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 71.340000000000003 110.826 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.25 132.66 56.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 75.510000000000005 110.871 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.54 115.82 15.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 75.010000000000005 110.885 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -123.2 109.1 13.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 74.239999999999995 110.925 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 86.1 t -108.55 112.99 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 73.200000000000003 111.092 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -111.02 106.43 15.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 75.5 110.865 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 62.08 80.3 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 74.430000000000007 110.892 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.59 135.49 53.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 62.329999999999998 111.053 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 54.84 73.28 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 74.239999999999995 110.841 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 4.2 p -112.75 144.48 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 72.349999999999994 111.102 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.83 -49.04 44.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 54.340000000000003 112.505 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.0 m -160.92 133.01 5.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.357 . . . . 64.150000000000006 110.905 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . 0.406 ' HB3' HG13 ' F' ' 31' ' ' ILE . 25.4 m120 -102.9 100.74 10.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 71.219999999999999 110.865 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -114.28 167.7 10.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 73.25 110.864 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.23 -130.69 47.86 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.681 -0.771 . . . . 71.0 112.539 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.45 111.56 23.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.774 0.321 . . . . 64.200000000000003 111.098 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . 0.465 HG13 HG22 ' G' ' 31' ' ' ILE . 0.0 OUTLIER -123.05 115.15 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 73.409999999999997 111.173 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mt -131.58 121.85 48.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 75.540000000000006 111.127 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.38 -50.32 41.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 73.200000000000003 112.498 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.605 ' N ' ' CD1' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -165.77 148.91 7.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.848 0.356 . . . . 74.329999999999998 110.873 -179.891 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 3.5 ttp -132.18 124.5 29.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 71.329999999999998 110.877 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 84.6 t -144.51 111.04 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 73.420000000000002 111.108 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.97 -10.37 68.55 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.722 -0.751 . . . . 71.140000000000001 112.527 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -112.04 158.06 14.55 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.708 -0.758 . . . . 63.020000000000003 112.453 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 92.9 t -133.89 143.14 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 73.319999999999993 111.108 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 24.7 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 75.340000000000003 111.154 179.911 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.855 0.36 . . . . 64.040000000000006 110.91 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.11 88.65 2.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 72.030000000000001 111.098 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.72 -39.84 86.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 74.420000000000002 110.906 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -145.26 112.06 5.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 74.420000000000002 110.876 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -131.55 108.26 9.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 74.150000000000006 110.886 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -110.24 117.87 34.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 74.140000000000001 110.848 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -115.12 101.69 9.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 75.450000000000003 110.861 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 26.2 m -152.64 176.22 11.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 71.310000000000002 110.864 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.88 -33.39 5.82 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 63.200000000000003 112.507 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -144.58 128.53 17.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.372 . . . . 74.299999999999997 110.878 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -108.26 117.53 34.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 74.129999999999995 110.875 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 43.9 t -128.21 113.85 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 75.109999999999999 111.105 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -116.8 113.67 22.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 75.129999999999995 110.852 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -125.62 122.44 36.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 72.140000000000001 110.85 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.27 132.51 56.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 75.510000000000005 110.928 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -127.94 116.42 20.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 74.150000000000006 110.885 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -124.53 104.75 8.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 74.219999999999999 110.9 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 93.5 t -107.33 112.02 38.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 75.510000000000005 111.128 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -110.98 103.12 11.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 70.209999999999994 110.86 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 61.74 80.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 75.420000000000002 110.878 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.99 133.78 52.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 72.239999999999995 111.137 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 56.28 73.79 0.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 64.150000000000006 110.853 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 p -111.73 144.1 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 62.109999999999999 111.108 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.35 -47.32 36.51 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 75.109999999999999 112.473 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -160.64 131.56 5.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.914 0.388 . . . . 71.239999999999995 110.827 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -102.12 99.9 10.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 75.450000000000003 110.934 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -114.16 170.87 7.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 73.340000000000003 110.917 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.45 -128.22 35.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.744 . . . . 63.399999999999999 112.518 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.3 112.63 24.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.738 0.304 . . . . 72.0 111.062 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . 0.547 HG12 ' HA ' ' H' ' 31' ' ' ILE . 0.0 OUTLIER -119.02 113.54 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 75.239999999999995 111.115 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -130.42 121.08 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 75.319999999999993 111.124 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.27 -46.82 92.39 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 73.299999999999997 112.454 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.603 ' N ' ' CD1' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -163.92 147.1 9.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.343 . . . . 72.310000000000002 110.935 -179.889 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 3.7 ttp -132.54 122.75 25.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 72.109999999999999 110.867 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 97.3 t -147.65 110.4 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 74.430000000000007 111.072 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.93 -8.7 71.9 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.746 -0.74 . . . . 74.340000000000003 112.466 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.18 156.9 15.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 75.450000000000003 112.506 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 63.5 t -134.78 139.58 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.886 0.374 . . . . 71.549999999999997 111.102 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 75.349999999999994 111.115 179.906 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.839 0.352 . . . . 61.310000000000002 110.844 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.02 89.18 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 71.340000000000003 111.136 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.11 -39.65 82.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 72.510000000000005 110.911 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -144.5 112.02 6.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 74.049999999999997 110.863 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -128.99 108.08 10.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 75.420000000000002 110.868 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -111.3 116.28 30.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 74.329999999999998 110.86 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -113.6 101.92 9.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 73.420000000000002 110.854 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 24.5 m -153.58 175.79 12.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 74.310000000000002 110.871 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.14 -32.47 5.82 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.732 -0.747 . . . . 72.209999999999994 112.466 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -144.85 128.55 17.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.833 0.349 . . . . 74.200000000000003 110.918 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -107.18 118.22 36.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 71.219999999999999 110.865 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 43.4 t -126.53 113.35 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 73.219999999999999 111.16 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -117.81 113.36 21.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 75.409999999999997 110.869 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -125.75 123.03 37.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 70.099999999999994 110.869 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.79 131.89 56.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 74.120000000000005 110.92 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.87 116.29 22.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.400000000000006 110.921 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -125.6 102.95 7.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 62.509999999999998 110.902 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 96.0 t -107.08 112.97 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 73.400000000000006 111.155 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -109.24 100.98 10.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 65.230000000000004 110.866 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 60.21 82.42 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 74.439999999999998 110.883 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.93 134.03 52.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 62.100000000000001 111.112 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 56.86 73.81 0.44 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.232 -0.44 . . . . 74.409999999999997 110.842 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 p -111.26 144.15 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 72.329999999999998 111.129 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.76 -47.22 34.15 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.784 -0.722 . . . . 74.519999999999996 112.506 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -159.85 131.5 6.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 74.140000000000001 110.86 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -102.43 99.97 10.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 72.219999999999999 110.925 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -114.74 171.66 7.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 73.450000000000003 110.891 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.94 -129.09 34.69 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.712 -0.756 . . . . 64.420000000000002 112.525 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.16 111.81 24.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.779 0.323 . . . . 74.530000000000001 111.091 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . 0.625 HG12 ' HA ' ' I' ' 31' ' ' ILE . 0.0 OUTLIER -116.18 111.29 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 75.129999999999995 111.101 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -128.71 121.22 54.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 75.519999999999996 111.156 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.99 -46.83 93.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.747 -0.74 . . . . 71.329999999999998 112.493 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . 0.615 ' CD1' ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -161.27 146.07 13.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 73.409999999999997 110.941 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 4.1 ttp -131.7 121.83 24.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 71.219999999999999 110.83 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 85.3 t -150.22 109.66 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 55.420000000000002 111.172 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.25 -8.32 71.54 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.773 -0.727 . . . . 75.010000000000005 112.484 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.36 156.28 15.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 73.349999999999994 112.457 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 64.5 t -135.85 138.39 47.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.901 0.382 . . . . 74.150000000000006 111.136 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 30.3 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 75.109999999999999 111.139 179.936 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.818 0.342 . . . . 71.420000000000002 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.84 89.2 2.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 74.409999999999997 111.081 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.07 -39.51 82.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 71.239999999999995 110.93 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -144.04 112.29 6.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 73.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -126.88 108.48 11.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 73.099999999999994 110.849 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -113.29 116.31 29.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 74.299999999999997 110.885 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -113.49 102.16 10.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 71.430000000000007 110.823 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 24.9 m -155.08 174.52 15.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 74.310000000000002 110.817 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.41 -31.9 5.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 50.520000000000003 112.477 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -145.06 129.19 17.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 75.109999999999999 110.946 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -105.88 119.43 39.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.513 . . . . 73.040000000000006 110.877 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 43.8 t -125.52 112.57 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 75.5 111.118 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -118.48 114.06 22.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 60.420000000000002 110.829 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -125.91 122.25 35.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 74.109999999999999 110.82 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.46 132.12 56.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 73.230000000000004 110.921 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -123.82 116.76 23.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 75.239999999999995 110.893 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -128.66 101.5 6.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 74.5 110.922 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 88.7 t -105.87 113.99 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 75.230000000000004 111.107 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -107.73 98.62 8.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 72.409999999999997 110.881 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 60.19 84.01 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 74.040000000000006 110.88 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.97 134.72 52.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 64.25 111.086 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 56.8 74.02 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 74.239999999999995 110.874 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 p -111.71 143.55 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.519999999999996 111.131 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.84 -46.5 37.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 63.100000000000001 112.468 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -160.11 131.25 5.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 53.450000000000003 110.843 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -101.74 99.56 9.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 73.439999999999998 110.92 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -114.85 171.97 7.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 72.420000000000002 110.895 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.92 -129.06 34.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.773 -0.727 . . . . 75.230000000000004 112.52 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . 0.444 ' O ' HG12 ' H' ' 31' ' ' ILE . . . -107.26 111.67 24.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.703 0.287 . . . . 74.230000000000004 111.11 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . 0.625 ' HA ' HG12 ' H' ' 31' ' ' ILE . 0.0 OUTLIER -114.15 110.58 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.140000000000001 111.088 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -127.81 120.3 53.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 73.519999999999996 111.165 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.18 -45.79 95.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 63.149999999999999 112.513 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . 0.614 ' N ' ' CD1' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -160.87 145.44 13.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.807 0.336 . . . . 72.120000000000005 110.906 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 4.2 ttp -132.02 120.78 22.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 75.409999999999997 110.905 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 89.7 t -150.74 109.06 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 75.430000000000007 111.107 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.85 -6.97 72.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 75.450000000000003 112.454 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.0 155.07 16.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 71.400000000000006 112.507 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 69.1 t -136.12 137.36 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.34 . . . . 71.200000000000003 111.158 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 30.4 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 75.019999999999996 111.171 179.907 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.889 0.376 . . . . 74.030000000000001 110.833 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.27 88.87 2.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 65.409999999999997 111.073 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.2 -38.82 80.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 73.239999999999995 110.845 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -144.47 114.02 7.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 62.240000000000002 110.86 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -126.27 106.31 9.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 73.340000000000003 110.875 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -114.66 114.64 25.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 73.319999999999993 110.885 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -110.69 101.21 9.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 73.549999999999997 110.918 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 27.0 m -155.32 170.25 22.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 73.239999999999995 110.896 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.44 -30.46 7.29 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.771 -0.728 . . . . 71.219999999999999 112.481 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -146.18 127.91 15.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.823 0.344 . . . . 73.340000000000003 110.966 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -105.5 119.89 40.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 73.519999999999996 110.902 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 44.4 t -123.67 113.41 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 74.549999999999997 111.138 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -118.83 113.0 20.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 74.219999999999999 110.826 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -124.74 123.45 40.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 74.019999999999996 110.863 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.22 135.06 55.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 74.239999999999995 110.926 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -123.63 116.11 22.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.450000000000003 110.899 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -129.03 102.67 6.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 74.319999999999993 110.949 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 93.1 t -105.25 115.38 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 72.0 111.116 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -107.84 95.9 6.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 74.519999999999996 110.912 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 60.66 82.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 75.040000000000006 110.872 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.02 135.49 49.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 62.409999999999997 111.12 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 54.35 74.75 0.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 74.109999999999999 110.86 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 p -110.41 142.75 21.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 73.409999999999997 111.097 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.27 -45.61 30.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 74.420000000000002 112.5 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 4.2 m -161.0 131.52 5.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 63.149999999999999 110.844 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -100.59 98.82 9.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 74.319999999999993 110.898 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -114.78 171.28 7.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 75.140000000000001 110.89 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.42 -131.9 38.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 53.43 112.459 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . 0.469 ' O ' HG12 ' I' ' 31' ' ' ILE . . . -103.64 113.15 26.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.761 0.315 . . . . 73.310000000000002 111.149 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . 0.611 ' HA ' HG12 ' I' ' 31' ' ' ILE . 0.0 OUTLIER -111.3 113.36 44.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 74.549999999999997 111.125 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -130.13 113.67 26.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 73.329999999999998 111.136 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.78 -41.06 98.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 65.230000000000004 112.462 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . 0.609 ' N ' ' CD1' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -163.73 144.22 8.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.835 0.35 . . . . 74.239999999999995 110.912 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 4.0 ttp -133.04 120.72 21.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 74.430000000000007 110.87 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 95.9 t -151.48 108.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 75.319999999999993 111.158 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.9 -3.85 68.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 64.239999999999995 112.507 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.76 155.0 16.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 73.109999999999999 112.487 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 72.4 t -136.29 140.5 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 74.319999999999993 111.152 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 24.9 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 71.049999999999997 111.104 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.805 0.336 . . . . 73.409999999999997 110.876 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.93 101.87 6.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 72.530000000000001 111.121 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.07 -34.31 77.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 73.519999999999996 110.882 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -147.27 113.02 5.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 74.319999999999993 110.917 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -137.8 108.01 6.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 75.019999999999996 110.853 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -112.73 109.36 18.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.467 . . . . 71.219999999999999 110.882 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -110.69 101.98 10.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 50.229999999999997 110.908 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.5 m -145.51 176.88 9.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 72.140000000000001 110.9 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.34 -7.27 43.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.777 -0.725 . . . . 74.030000000000001 112.47 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.47 117.52 0.35 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.849 0.357 . . . . 74.329999999999998 110.929 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.55 119.88 36.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 70.239999999999995 110.909 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.8 t -135.58 114.01 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 75.349999999999994 111.103 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -126.16 131.79 51.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 74.129999999999995 110.85 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -138.94 121.59 16.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 74.230000000000004 110.846 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -129.92 135.38 48.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.209999999999994 110.898 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -130.11 122.33 28.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 60.009999999999998 110.923 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -117.26 104.28 11.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 71.0 110.923 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.5 t -107.39 116.48 51.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 75.230000000000004 111.17 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' PHE . . . . . 0.552 ' O ' ' C ' ' A' ' 20' ' ' PHE . 8.4 m-85 -101.22 107.91 19.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 72.010000000000005 110.891 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PHE . . . . . 0.552 ' C ' ' O ' ' A' ' 19' ' ' PHE . 7.3 p90 24.2 79.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 75.420000000000002 110.815 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.72 149.38 29.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 73.209999999999994 111.118 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.5 t0 63.85 66.4 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 64.329999999999998 110.856 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.5 p -110.71 144.17 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 74.299999999999997 111.122 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.57 -50.03 58.8 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.717 -0.754 . . . . 71.140000000000001 112.518 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.9 m -160.53 129.96 5.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 75.219999999999999 110.867 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -100.48 102.29 13.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 74.140000000000001 110.881 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.23 149.67 35.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 74.420000000000002 110.868 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.79 -133.32 20.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.745 . . . . 43.0 112.459 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.76 114.27 28.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.32 . . . . 74.200000000000003 111.119 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.17 112.11 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 72.310000000000002 111.126 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -129.24 121.15 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 74.519999999999996 111.149 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.32 -48.7 84.66 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.757 -0.735 . . . . 53.329999999999998 112.458 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LEU . . . . . 0.615 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -160.73 147.59 15.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 74.219999999999999 110.873 -179.88 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.9 mtp -135.99 123.32 21.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 73.540000000000006 110.89 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 74.1 t -129.11 113.38 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 73.409999999999997 111.142 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.14 17.81 77.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 54.240000000000002 112.482 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.18 -171.1 29.67 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.765 -0.731 . . . . 75.230000000000004 112.473 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.6 p -169.18 150.45 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.373 . . . . 72.439999999999998 111.092 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.9 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 74.450000000000003 111.121 179.899 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.782 0.325 . . . . 65.25 110.894 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.98 101.99 6.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 70.310000000000002 111.116 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.64 -32.32 72.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 63.009999999999998 110.895 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -149.0 111.83 4.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 74.310000000000002 110.854 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -133.41 108.04 8.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 74.430000000000007 110.865 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -114.22 109.37 18.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 73.120000000000005 110.879 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -111.87 102.13 10.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 73.239999999999995 110.861 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 43.5 m -145.91 176.34 9.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 73.420000000000002 110.855 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.54 -7.31 42.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 74.430000000000007 112.493 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.4 116.05 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.847 0.356 . . . . 65.219999999999999 110.908 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.45 119.59 34.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 75.099999999999994 110.896 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.5 t -133.22 114.22 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 74.209999999999994 111.115 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -125.08 132.61 53.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 74.019999999999996 110.897 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -136.35 122.87 20.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 75.310000000000002 110.835 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -129.69 132.62 46.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 72.230000000000004 110.87 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -128.69 121.75 29.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 73.299999999999997 110.898 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -120.06 102.29 8.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 75.239999999999995 110.886 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 60.9 t -105.91 116.12 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 75.129999999999995 111.087 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 19' ' ' PHE . . . . . 0.515 ' O ' ' C ' ' B' ' 20' ' ' PHE . 6.1 m-30 -101.08 99.88 10.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 75.25 110.911 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 20' ' ' PHE . . . . . 0.515 ' C ' ' O ' ' B' ' 19' ' ' PHE . 9.8 p90 27.3 79.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 71.109999999999999 110.858 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.03 149.85 27.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 60.109999999999999 111.097 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 25.0 t0 64.35 66.93 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 54.030000000000001 110.857 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 p -110.17 142.98 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 72.099999999999994 111.126 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.8 -48.18 73.84 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.803 -0.713 . . . . 75.140000000000001 112.51 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 10.5 m -160.64 128.51 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 75.430000000000007 110.879 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -100.04 101.71 12.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 73.219999999999999 110.878 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.82 152.32 30.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 72.530000000000001 110.904 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.54 -132.04 22.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 72.120000000000005 112.492 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.62 114.21 28.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.789 0.328 . . . . 74.420000000000002 111.053 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' ILE . . . . . 0.418 ' CD1' ' N ' ' B' ' 31' ' ' ILE . 0.0 OUTLIER -118.8 111.94 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 74.430000000000007 111.137 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -127.62 123.69 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 74.099999999999994 111.157 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.96 -49.38 76.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 60.020000000000003 112.47 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' LEU . . . . . 0.616 ' N ' ' CD1' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -156.91 147.34 21.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.338 . . . . 70.540000000000006 110.901 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtp -131.07 123.08 27.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 71.0 110.903 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 91.1 t -134.73 112.31 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 64.230000000000004 111.137 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.98 19.15 69.58 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 74.109999999999999 112.474 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.71 -171.7 33.07 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 65.510000000000005 112.452 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 14.8 p -168.28 149.62 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 71.099999999999994 111.115 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 35.3 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 73.430000000000007 111.099 179.903 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.77 0.319 . . . . 74.010000000000005 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.69 102.42 6.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 73.439999999999998 111.153 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.75 -31.96 72.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 73.519999999999996 110.9 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -149.37 111.31 4.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 75.349999999999994 110.883 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -131.25 108.2 9.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 72.120000000000005 110.915 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -116.18 109.11 17.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 72.25 110.837 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -111.61 102.15 10.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 74.420000000000002 110.892 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 45.9 m -145.88 175.97 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 72.420000000000002 110.872 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.36 -7.05 40.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 73.109999999999999 112.477 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -172.29 115.85 0.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.819 0.342 . . . . 74.439999999999998 110.913 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.7 119.92 34.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 75.219999999999999 110.891 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 99.4 t -132.11 113.94 22.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 72.040000000000006 111.113 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -124.86 132.5 53.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 72.420000000000002 110.893 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -135.27 123.45 22.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 74.230000000000004 110.854 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -129.97 132.2 46.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 73.540000000000006 110.895 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -127.71 121.79 31.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 72.310000000000002 110.93 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -123.31 101.28 7.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 73.439999999999998 110.926 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 58.8 t -105.91 117.35 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 75.340000000000003 111.12 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 19' ' ' PHE . . . . . 0.522 ' O ' ' C ' ' C' ' 20' ' ' PHE . 4.6 m-30 -101.14 98.75 9.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 72.049999999999997 110.877 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 20' ' ' PHE . . . . . 0.522 ' C ' ' O ' ' C' ' 19' ' ' PHE . 9.8 p90 26.95 78.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 74.400000000000006 110.881 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.1 149.65 26.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 71.140000000000001 111.12 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t0 64.16 67.22 0.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 75.439999999999998 110.843 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 3.4 p -110.06 142.72 21.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 73.439999999999998 111.089 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.76 -47.37 86.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.712 -0.756 . . . . 73.219999999999999 112.484 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 11.4 m -160.19 128.03 4.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.358 . . . . 62.109999999999999 110.847 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 -101.03 101.14 11.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 75.239999999999995 110.876 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.03 152.47 30.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 73.219999999999999 110.883 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.54 -132.67 20.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 61.43 112.493 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.54 113.77 27.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 73.120000000000005 111.085 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 31' ' ' ILE . . . . . 0.424 ' CD1' ' N ' ' C' ' 31' ' ' ILE . 0.0 OUTLIER -118.09 111.15 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 74.120000000000005 111.134 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -126.84 123.47 62.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 73.340000000000003 111.181 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.2 -49.61 73.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 74.030000000000001 112.448 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 34' ' ' LEU . . . . . 0.622 ' CD1' ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -155.54 146.19 22.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.341 . . . . 73.340000000000003 110.909 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtp -129.02 122.68 30.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 75.219999999999999 110.907 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 93.9 t -136.01 111.52 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 75.150000000000006 111.163 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.04 20.73 67.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.804 -0.712 . . . . 75.420000000000002 112.488 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.0 -171.74 34.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.658 -0.782 . . . . 75.310000000000002 112.48 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 14.8 p -167.61 149.47 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.37 . . . . 75.230000000000004 111.117 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 35.9 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 71.329999999999998 111.11 179.928 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.795 0.331 . . . . 74.340000000000003 110.873 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.96 102.5 6.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 74.409999999999997 111.125 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.14 -32.19 73.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 62.329999999999998 110.897 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -148.97 110.83 4.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 74.549999999999997 110.914 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -129.75 108.09 9.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 74.010000000000005 110.855 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -118.2 108.92 15.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 74.409999999999997 110.881 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -110.38 102.34 10.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 73.239999999999995 110.83 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 48.0 m -146.14 174.34 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 73.120000000000005 110.841 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.02 -6.14 40.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.743 . . . . 73.25 112.494 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -171.89 116.44 0.38 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.8 0.333 . . . . 73.400000000000006 110.883 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.11 121.85 36.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 75.239999999999995 110.894 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 98.8 t -131.95 114.01 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 74.540000000000006 111.084 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -126.4 132.41 51.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 75.519999999999996 110.874 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -134.91 123.76 23.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 72.25 110.826 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -130.41 131.32 45.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 74.239999999999995 110.918 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -126.42 120.5 29.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 64.409999999999997 110.902 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -125.5 100.37 6.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 71.049999999999997 110.904 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 59.5 t -105.86 119.01 54.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 74.349999999999994 111.138 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 19' ' ' PHE . . . . . 0.523 ' O ' ' C ' ' D' ' 20' ' ' PHE . 4.0 m-30 -100.93 97.01 7.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 74.010000000000005 110.91 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 20' ' ' PHE . . . . . 0.523 ' C ' ' O ' ' D' ' 19' ' ' PHE . 10.0 p90 27.22 77.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 63.240000000000002 110.901 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.37 149.63 25.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 71.299999999999997 111.109 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 25.1 t0 64.01 67.72 0.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 63.229999999999997 110.888 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 p -110.53 142.44 22.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 75.019999999999996 111.097 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.45 -47.05 90.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.729 . . . . 72.099999999999994 112.495 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 10.1 m -160.43 126.93 4.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.916 0.389 . . . . 62.310000000000002 110.851 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -101.01 102.65 13.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 75.439999999999998 110.882 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.97 152.5 30.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 74.310000000000002 110.874 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.83 -132.57 19.89 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.717 -0.754 . . . . 72.430000000000007 112.515 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.91 113.43 26.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.751 0.31 . . . . 74.430000000000007 111.11 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 31' ' ' ILE . . . . . 0.416 ' CD1' ' N ' ' D' ' 31' ' ' ILE . 0.0 OUTLIER -116.97 111.25 34.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 74.420000000000002 111.121 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -126.06 123.53 64.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 74.319999999999993 111.133 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.99 -51.38 57.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 73.150000000000006 112.521 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 34' ' ' LEU . . . . . 0.626 ' N ' ' CD1' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -153.42 144.71 23.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 73.200000000000003 110.927 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtp -128.68 122.05 29.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 73.219999999999999 110.874 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 98.9 t -136.96 111.0 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 73.239999999999995 111.128 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.04 20.05 66.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.681 -0.771 . . . . 74.530000000000001 112.488 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.1 -171.37 35.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 74.510000000000005 112.523 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 p -166.87 150.32 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 74.549999999999997 111.085 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 35.7 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 74.25 111.115 179.903 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.781 0.324 . . . . 73.120000000000005 110.921 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.31 102.45 6.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 71.299999999999997 111.073 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 3' ' ' GLU . . . . . 0.404 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . 1.7 mp0 -65.81 -31.34 72.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 64.230000000000004 110.93 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -148.69 113.4 5.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 73.409999999999997 110.885 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -129.52 106.42 8.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 74.340000000000003 110.863 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -118.83 109.08 15.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 75.120000000000005 110.86 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -108.38 101.45 10.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 71.409999999999997 110.881 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 47.5 m -148.47 169.6 19.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 74.519999999999996 110.835 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.15 -5.57 43.45 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.711 -0.757 . . . . 74.030000000000001 112.486 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -170.93 115.21 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.366 . . . . 74.099999999999994 110.895 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.91 123.71 38.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 74.430000000000007 110.894 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 92.8 t -129.89 115.17 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 73.310000000000002 111.105 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -126.33 133.48 51.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 71.329999999999998 110.865 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -134.58 124.35 25.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 74.209999999999994 110.862 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -131.94 132.6 43.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 73.430000000000007 110.922 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -126.96 120.58 29.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 73.040000000000006 110.896 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -128.0 100.06 5.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 72.340000000000003 110.92 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 60.3 t -104.4 120.67 55.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 71.439999999999998 111.09 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 19' ' ' PHE . . . . . 0.511 ' O ' ' C ' ' E' ' 20' ' ' PHE . 3.5 m-30 -103.5 95.95 6.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 73.129999999999995 110.909 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 20' ' ' PHE . . . . . 0.511 ' C ' ' O ' ' E' ' 19' ' ' PHE . 12.3 p90 29.02 75.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 73.010000000000005 110.839 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.84 147.08 27.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 72.209999999999994 111.083 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 24.6 t0 62.27 69.13 0.63 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 74.140000000000001 110.887 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 4.2 p -110.19 141.66 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 74.349999999999994 111.114 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.34 -47.04 92.0 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.756 -0.735 . . . . 55.240000000000002 112.493 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 10.8 m -160.59 126.3 3.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 71.420000000000002 110.882 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -101.33 102.84 13.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 74.25 110.898 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.14 152.77 30.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 73.430000000000007 110.945 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.75 -134.01 21.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 74.030000000000001 112.478 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.85 113.7 27.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.743 0.306 . . . . 55.32 111.136 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.95 112.75 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 74.329999999999998 111.123 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -128.04 120.58 54.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 75.319999999999993 111.118 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.6 -47.8 88.34 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 72.230000000000004 112.459 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 34' ' ' LEU . . . . . 0.6 ' N ' ' CD1' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -153.32 148.14 26.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.849 0.357 . . . . 74.430000000000007 110.933 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 4.9 mtp -134.21 120.12 19.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 63.240000000000002 110.847 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 93.8 t -138.0 111.18 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 74.010000000000005 111.144 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.84 21.21 63.0 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.761 -0.733 . . . . 74.319999999999993 112.485 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.9 -171.16 35.56 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 71.219999999999999 112.46 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 14.7 p -166.9 150.03 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 72.230000000000004 111.131 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 74.510000000000005 111.139 179.921 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.83 0.348 . . . . 72.230000000000004 110.841 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.42 101.94 6.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 73.430000000000007 111.111 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -67.03 -33.76 76.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 63.32 110.882 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -147.08 113.46 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 71.219999999999999 110.857 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -137.85 108.16 6.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 72.329999999999998 110.913 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -112.49 109.43 19.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 70.540000000000006 110.884 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -110.45 102.34 10.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 75.219999999999999 110.863 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 45.0 m -145.93 176.61 9.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 74.129999999999995 110.864 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.29 -7.33 43.41 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 74.010000000000005 112.475 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.29 117.58 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 65.219999999999999 110.899 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.14 119.57 35.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 74.329999999999998 110.912 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 89.8 t -135.56 114.14 15.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.475 . . . . 73.420000000000002 111.078 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -126.38 132.16 51.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 72.25 110.817 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -139.12 121.93 16.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 71.340000000000003 110.882 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -130.6 135.09 47.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 71.420000000000002 110.886 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -130.12 122.66 28.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 74.530000000000001 110.948 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -117.34 104.29 10.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 72.120000000000005 110.936 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 60.6 t -107.38 116.76 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 74.530000000000001 111.143 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 19' ' ' PHE . . . . . 0.558 ' O ' ' C ' ' F' ' 20' ' ' PHE . 8.3 m-85 -101.42 107.65 19.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 75.450000000000003 110.873 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 20' ' ' PHE . . . . . 0.558 ' C ' ' O ' ' F' ' 19' ' ' PHE . 7.2 p90 24.41 79.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 72.140000000000001 110.884 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.69 149.21 29.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 71.140000000000001 111.085 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 24.4 t0 64.46 66.22 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 64.420000000000002 110.892 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 4.6 p -110.94 144.43 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 74.209999999999994 111.145 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.18 -50.06 60.87 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 74.340000000000003 112.499 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 11.4 m -160.44 128.82 4.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.378 . . . . 73.239999999999995 110.854 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -98.97 101.62 13.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 74.209999999999994 110.864 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.87 150.33 33.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 73.450000000000003 110.942 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.59 -134.2 22.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 62.310000000000002 112.453 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.99 113.8 27.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.32 . . . . 75.340000000000003 111.088 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.0 112.71 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 73.329999999999998 111.108 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mt -129.68 120.8 51.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 74.239999999999995 111.139 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.39 -49.6 74.82 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.689 -0.767 . . . . 75.019999999999996 112.478 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 34' ' ' LEU . . . . . 0.614 ' N ' ' CD1' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -160.8 147.8 15.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 74.200000000000003 110.915 -179.9 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtp -135.26 123.31 22.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 74.319999999999993 110.915 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 74.7 t -129.03 113.27 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 63.219999999999999 111.171 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.74 17.21 76.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.779 -0.724 . . . . 62.329999999999998 112.463 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.29 -171.2 29.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 72.010000000000005 112.498 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 14.8 p -168.97 149.97 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 73.409999999999997 111.109 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 34.2 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 73.010000000000005 111.142 179.924 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.8 0.333 . . . . 73.450000000000003 110.867 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.88 101.58 6.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 75.109999999999999 111.142 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -67.03 -33.75 76.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 75.129999999999995 110.884 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -148.48 112.42 5.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 72.450000000000003 110.911 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -133.24 108.44 8.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 74.340000000000003 110.894 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -113.83 108.9 17.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 61.130000000000003 110.803 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -111.19 102.18 10.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 74.540000000000006 110.918 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 45.5 m -146.34 176.16 9.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 73.209999999999994 110.865 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.59 -7.23 42.77 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 64.120000000000005 112.44 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.37 116.22 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 72.239999999999995 110.908 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.31 119.41 33.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 75.400000000000006 110.851 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 96.7 t -133.3 114.24 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 75.129999999999995 111.174 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 42.0 m170 -125.24 132.62 52.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 73.25 110.864 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -136.27 123.01 21.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 75.099999999999994 110.828 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -130.41 132.6 45.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 71.409999999999997 110.92 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -128.77 122.98 31.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 70.430000000000007 110.906 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -120.33 102.27 8.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 72.340000000000003 110.914 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 60.4 t -105.9 115.8 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 73.340000000000003 111.158 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 19' ' ' PHE . . . . . 0.521 ' O ' ' C ' ' G' ' 20' ' ' PHE . 6.0 m-30 -101.08 99.71 10.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 71.150000000000006 110.894 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' G' G ' 20' ' ' PHE . . . . . 0.521 ' C ' ' O ' ' G' ' 19' ' ' PHE . 10.2 p90 27.45 79.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 75.010000000000005 110.844 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.3 149.99 27.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 54.329999999999998 111.054 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t0 64.47 66.82 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 73.310000000000002 110.875 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 3.6 p -110.3 143.2 20.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 64.540000000000006 111.141 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.48 -48.2 78.04 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 52.5 112.492 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 10.8 m -160.28 127.8 4.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 72.400000000000006 110.887 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -99.89 101.13 12.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 74.040000000000006 110.868 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.53 153.19 29.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 74.409999999999997 110.846 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.42 -132.5 22.97 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.735 -0.745 . . . . 72.310000000000002 112.489 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.46 113.97 27.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 63.450000000000003 111.118 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 31' ' ' ILE . . . . . 0.415 ' CD1' ' N ' ' G' ' 31' ' ' ILE . 0.0 OUTLIER -118.73 112.33 37.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 75.430000000000007 111.176 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -127.83 123.69 61.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 75.299999999999997 111.17 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.01 -49.73 72.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 62.009999999999998 112.464 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 34' ' ' LEU . . . . . 0.614 ' N ' ' CD1' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -157.12 147.3 20.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.836 0.35 . . . . 74.310000000000002 110.915 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtp -131.07 123.19 28.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 74.230000000000004 110.855 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 85.9 t -134.61 112.43 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 74.340000000000003 111.168 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.38 18.64 69.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 72.340000000000003 112.47 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.22 -171.95 32.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.773 -0.727 . . . . 73.230000000000004 112.508 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 14.8 p -168.08 149.47 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.885 0.374 . . . . 72.409999999999997 111.099 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 34.3 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 75.230000000000004 111.089 179.927 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.808 0.337 . . . . 72.200000000000003 110.857 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.97 102.47 6.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 71.030000000000001 111.091 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.58 -33.83 76.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 73.510000000000005 110.897 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -148.77 112.28 5.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 75.030000000000001 110.904 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -131.64 108.11 9.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 74.209999999999994 110.838 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -115.08 108.81 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 75.200000000000003 110.854 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -111.2 102.1 10.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 75.010000000000005 110.874 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 45.7 m -145.86 175.65 10.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 72.409999999999997 110.86 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.73 -7.41 41.98 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 54.109999999999999 112.485 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -172.34 115.57 0.33 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.839 0.352 . . . . 73.109999999999999 110.947 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.86 119.87 33.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 75.430000000000007 110.897 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 98.9 t -132.37 114.08 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 72.329999999999998 111.114 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 43.0 m170 -125.22 132.3 53.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 74.319999999999993 110.889 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -135.21 123.31 22.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 63.310000000000002 110.843 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -130.4 132.38 45.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 75.239999999999995 110.911 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -127.49 122.3 33.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 73.25 110.901 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -122.5 100.98 7.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 70.120000000000005 110.905 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 59.5 t -106.07 116.52 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 70.540000000000006 111.139 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 19' ' ' PHE . . . . . 0.521 ' O ' ' C ' ' H' ' 20' ' ' PHE . 4.5 m-30 -100.91 98.55 9.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.420000000000002 110.874 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' H' H ' 20' ' ' PHE . . . . . 0.521 ' C ' ' O ' ' H' ' 19' ' ' PHE . 10.4 p90 27.29 78.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 75.319999999999993 110.868 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.77 150.03 26.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 60.539999999999999 111.047 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 24.6 t0 64.01 67.21 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 73.409999999999997 110.884 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 3.3 p -110.19 142.5 22.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 75.120000000000005 111.113 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.62 -47.49 84.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.732 . . . . 64.310000000000002 112.466 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 10.9 m -160.23 126.94 4.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.935 0.398 . . . . 71.409999999999997 110.818 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -99.77 101.14 12.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 74.549999999999997 110.888 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.51 153.34 28.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 74.219999999999999 110.913 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.62 -133.19 23.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 51.100000000000001 112.509 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.42 113.84 27.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 74.040000000000006 111.041 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 31' ' ' ILE . . . . . 0.415 ' CD1' ' N ' ' H' ' 31' ' ' ILE . 0.0 OUTLIER -117.71 111.73 35.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 75.430000000000007 111.147 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -127.1 123.21 61.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 73.420000000000002 111.123 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.19 -49.97 69.65 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 74.25 112.515 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 34' ' ' LEU . . . . . 0.626 ' CD1' ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -155.54 145.71 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 73.409999999999997 110.95 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtp -128.98 122.91 31.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 74.129999999999995 110.921 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 99.5 t -136.69 112.34 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 74.319999999999993 111.163 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.66 19.59 67.26 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 73.010000000000005 112.493 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.41 -171.58 33.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 71.120000000000005 112.448 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 14.7 p -168.07 149.71 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.368 . . . . 71.329999999999998 111.123 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 36.0 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 75.510000000000005 111.135 179.928 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.838 0.352 . . . . 75.329999999999998 110.846 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.81 102.52 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 72.109999999999999 111.108 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.78 -33.87 76.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 73.349999999999994 110.919 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -148.55 111.85 4.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 74.439999999999998 110.881 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -130.39 108.09 9.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 75.530000000000001 110.88 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -117.28 108.66 15.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 73.209999999999994 110.842 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -110.39 102.26 10.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 73.239999999999995 110.859 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 45.0 m -146.31 174.36 11.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 71.329999999999998 110.844 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.47 -6.46 41.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.775 -0.726 . . . . 74.299999999999997 112.496 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.28 116.57 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 74.140000000000001 110.892 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.89 121.37 35.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 74.340000000000003 110.854 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 98.1 t -131.65 113.91 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 74.25 111.145 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 46.9 m170 -126.3 132.42 51.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 74.310000000000002 110.858 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -135.08 123.81 23.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 74.319999999999993 110.845 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -130.93 131.64 44.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 73.310000000000002 110.935 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -126.26 121.07 31.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 74.049999999999997 110.884 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -124.91 100.3 6.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 75.140000000000001 110.924 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 59.5 t -106.23 118.06 53.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 74.209999999999994 111.098 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 19' ' ' PHE . . . . . 0.525 ' O ' ' C ' ' I' ' 20' ' ' PHE . 3.9 m-30 -100.54 97.48 8.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 74.439999999999998 110.883 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' I' I ' 20' ' ' PHE . . . . . 0.525 ' C ' ' O ' ' I' ' 19' ' ' PHE . 9.9 p90 27.1 77.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 74.409999999999997 110.844 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.13 149.6 26.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 71.530000000000001 111.102 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 25.4 t0 64.08 67.61 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 74.239999999999995 110.845 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 3.3 p -110.54 142.27 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 74.420000000000002 111.094 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.2 -46.96 91.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 62.329999999999998 112.521 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 10.2 m -160.45 125.96 3.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 70.109999999999999 110.876 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -100.11 102.08 13.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 71.129999999999995 110.854 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.23 153.72 27.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 72.420000000000002 110.943 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.76 -133.92 23.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 73.310000000000002 112.509 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.62 113.51 27.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 60.299999999999997 111.071 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 31' ' ' ILE . . . . . 0.41 ' CD1' ' N ' ' I' ' 31' ' ' ILE . 0.0 OUTLIER -116.87 112.34 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 72.209999999999994 111.107 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -127.14 124.23 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 75.040000000000006 111.16 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.84 -51.96 51.81 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.699 -0.762 . . . . 72.349999999999994 112.492 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 34' ' ' LEU . . . . . 0.635 ' N ' ' CD1' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -153.18 144.84 23.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.86 0.362 . . . . 73.120000000000005 110.925 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtp -128.85 122.38 30.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 75.409999999999997 110.887 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 96.6 t -137.01 111.37 9.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 73.010000000000005 111.147 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.85 20.38 66.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 74.310000000000002 112.491 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.99 -171.0 33.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.737 . . . . 73.230000000000004 112.465 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 14.2 p -167.27 150.62 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 73.409999999999997 111.142 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 35.9 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 73.420000000000002 111.104 179.913 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.83 0.348 . . . . 73.340000000000003 110.883 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.03 102.23 6.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 73.540000000000006 111.105 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -65.38 -34.02 77.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 73.530000000000001 110.858 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -148.52 113.73 5.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 72.129999999999995 110.877 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -130.35 107.08 8.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 74.319999999999993 110.894 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -118.55 108.68 15.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 72.510000000000005 110.886 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -108.55 101.82 10.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 73.340000000000003 110.872 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 45.4 m -148.14 169.63 19.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 75.209999999999994 110.876 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.26 -5.98 45.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.704 -0.76 . . . . 51.299999999999997 112.44 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -171.88 115.21 0.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 72.519999999999996 110.959 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.33 123.13 37.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 74.140000000000001 110.874 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 91.3 t -130.07 115.03 31.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 73.040000000000006 111.106 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 46.1 m170 -125.79 133.42 52.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 73.329999999999998 110.867 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -134.29 124.25 25.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 74.109999999999999 110.86 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -132.54 132.66 42.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 75.340000000000003 110.925 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -126.76 121.1 31.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 72.120000000000005 110.942 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -127.72 100.25 5.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 75.400000000000006 110.903 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 59.5 t -104.9 119.62 54.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 70.129999999999995 111.133 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' J' J ' 19' ' ' PHE . . . . . 0.509 ' O ' ' C ' ' J' ' 20' ' ' PHE . 3.5 m-30 -102.54 96.4 6.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 75.549999999999997 110.864 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' J' J ' 20' ' ' PHE . . . . . 0.509 ' C ' ' O ' ' J' ' 19' ' ' PHE . 12.2 p90 28.98 74.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 73.329999999999998 110.899 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.52 146.75 28.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 74.120000000000005 111.101 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 24.4 t0 62.72 68.95 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 72.129999999999995 110.886 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 3.9 p -110.32 141.2 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 75.530000000000001 111.1 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.91 -47.07 91.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 71.409999999999997 112.484 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 11.0 m -160.39 125.14 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.362 . . . . 52.409999999999997 110.847 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -100.29 102.49 13.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 72.409999999999997 110.937 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.58 152.88 29.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 74.439999999999998 110.871 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' J' J ' 29' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' E' ' 3' ' ' GLU . . . 71.78 -135.54 23.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 73.099999999999994 112.491 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.9 113.44 26.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.787 0.327 . . . . 65.430000000000007 111.098 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.32 113.94 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 74.209999999999994 111.107 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -128.67 121.0 53.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 73.319999999999993 111.108 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.03 -48.76 81.2 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 61.520000000000003 112.44 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' J' J ' 34' ' ' LEU . . . . . 0.609 ' N ' ' CD1' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -152.92 147.8 26.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.828 0.347 . . . . 72.319999999999993 110.899 -179.9 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtp -133.6 120.27 20.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 70.209999999999994 110.873 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 94.8 t -138.08 111.63 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 74.230000000000004 111.117 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.81 20.84 62.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 70.310000000000002 112.464 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.93 -171.31 35.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.723 -0.751 . . . . 72.25 112.509 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 14.6 p -167.1 149.66 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 73.439999999999998 111.094 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 73.120000000000005 111.145 179.899 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.824 0.345 . . . . 75.439999999999998 110.875 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.03 77.35 3.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 73.409999999999997 111.076 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.87 -43.18 63.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 73.319999999999993 110.866 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -168.76 116.51 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 72.230000000000004 110.904 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -111.45 108.48 18.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 75.430000000000007 110.853 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -98.1 109.34 22.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 74.120000000000005 110.85 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -118.08 101.44 8.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 65.319999999999993 110.871 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.8 m -149.46 175.93 11.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 72.530000000000001 110.812 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.57 -9.2 33.69 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.777 -0.725 . . . . 63.350000000000001 112.502 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.34 114.75 0.31 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.887 0.375 . . . . 72.420000000000002 110.965 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -107.0 119.84 40.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 74.430000000000007 110.904 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.0 t -126.13 113.27 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 75.329999999999998 111.175 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -115.12 114.51 25.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 74.319999999999993 110.84 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -130.41 126.01 35.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 72.340000000000003 110.847 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -123.92 134.2 53.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 72.120000000000005 110.922 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -124.87 121.77 35.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.319999999999993 110.872 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -122.91 102.06 7.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 72.310000000000002 110.885 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 66.4 t -111.77 117.03 54.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 75.109999999999999 111.161 179.792 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.421 ' CZ ' ' HG ' ' A' ' 34' ' ' LEU . 4.6 m-85 -113.69 137.74 51.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 74.25 110.899 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 63.25 53.81 2.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 74.349999999999994 110.882 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.15 108.87 20.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 64.409999999999997 111.079 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 53.1 t0 63.57 103.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 75.439999999999998 110.891 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 21.3 t -131.39 133.75 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 72.219999999999999 111.159 179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.2 -40.55 81.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 63.329999999999998 112.491 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.75 125.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.856 0.36 . . . . 63.329999999999998 110.887 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 28.0 m120 -102.77 111.01 23.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 64.239999999999995 110.874 -179.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -113.42 165.01 12.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 74.239999999999995 110.903 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.94 -133.74 27.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 71.409999999999997 112.503 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.16 117.39 31.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.702 0.286 . . . . 75.530000000000001 111.129 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 25.7 mm -129.68 131.73 66.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 71.230000000000004 111.117 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mp -125.89 112.46 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.129999999999995 111.133 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.65 -17.83 79.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 73.120000000000005 112.448 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.421 ' HG ' ' CZ ' ' A' ' 19' ' ' PHE . 3.0 tm? -171.73 109.65 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.822 0.344 . . . . 72.439999999999998 110.914 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttp -117.29 125.18 50.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 74.409999999999997 110.844 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 58.0 t -122.46 112.64 35.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 75.420000000000002 111.143 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.74 30.63 44.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.756 . . . . 53.009999999999998 112.477 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.15 -178.91 21.39 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 75.329999999999998 112.506 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.9 p -157.88 140.01 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.372 . . . . 73.310000000000002 111.154 -179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 19.1 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 63.509999999999998 111.17 179.924 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.861 0.362 . . . . 64.540000000000006 110.824 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.86 80.05 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 65.219999999999999 111.089 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.63 -37.15 26.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 60.240000000000002 110.87 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -168.59 116.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 73.140000000000001 110.887 -179.878 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -112.04 108.36 17.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 71.329999999999998 110.853 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -97.75 109.51 22.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 72.150000000000006 110.873 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -117.25 101.1 8.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 61.240000000000002 110.851 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -148.65 175.6 11.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 64.409999999999997 110.848 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.2 -9.62 33.61 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.693 -0.765 . . . . 74.219999999999999 112.465 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.51 114.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 74.329999999999998 110.862 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -106.75 119.52 39.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 72.319999999999993 110.916 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -125.25 113.31 34.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 71.340000000000003 111.164 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 54.8 m170 -115.58 115.68 26.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 71.219999999999999 110.827 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -131.09 127.61 38.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 65.140000000000001 110.912 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -125.06 134.06 52.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 65.129999999999995 110.921 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -124.29 122.65 38.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 75.530000000000001 110.928 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -125.34 101.68 7.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 74.409999999999997 110.927 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 60.9 t -110.58 118.1 56.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 71.310000000000002 111.126 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -113.52 134.01 54.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 73.310000000000002 110.863 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 62.39 57.44 1.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 74.510000000000005 110.901 -179.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.27 107.62 19.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 74.140000000000001 111.076 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 52.8 t0 62.84 104.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 71.340000000000003 110.898 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 21.2 t -130.83 134.01 62.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 75.409999999999997 111.09 -179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.59 -41.75 83.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.738 -0.744 . . . . 75.230000000000004 112.484 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.58 122.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 75.209999999999994 110.87 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 26.7 m120 -102.15 112.04 24.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 63.149999999999999 110.924 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -112.31 165.57 12.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 73.540000000000006 110.913 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.95 -133.08 28.04 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 51.420000000000002 112.473 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.19 119.11 35.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.745 0.307 . . . . 54.210000000000001 111.093 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 25.9 mm -130.71 129.95 64.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 74.109999999999999 111.129 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mp -124.7 113.22 35.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 75.129999999999995 111.118 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.8 -15.23 78.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.73 -0.748 . . . . 63.130000000000003 112.522 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.2 tm? -171.28 108.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 73.140000000000001 110.877 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.5 ttp -118.04 123.9 46.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 75.450000000000003 110.846 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 63.3 t -122.52 112.96 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 60.32 111.112 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.21 31.75 34.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 54.210000000000001 112.479 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.97 -178.79 21.49 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 74.310000000000002 112.499 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 5.1 p -157.4 138.86 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.953 0.406 . . . . 74.25 111.058 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 19.3 m . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 74.530000000000001 111.129 179.88 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.836 0.35 . . . . 64.540000000000006 110.836 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.23 78.92 3.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 51.229999999999997 111.118 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.52 -35.88 31.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 65.530000000000001 110.841 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -169.42 116.59 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 75.439999999999998 110.894 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -112.19 107.41 16.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 74.209999999999994 110.869 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -96.48 109.36 21.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 73.239999999999995 110.802 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -118.56 100.44 7.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 71.150000000000006 110.879 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -148.4 175.64 10.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 71.519999999999996 110.895 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.77 -9.96 33.88 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.706 -0.759 . . . . 33.5 112.477 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.49 115.0 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 65.340000000000003 110.925 -179.83 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -107.29 119.67 40.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 74.349999999999994 110.912 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 21.3 t -124.93 113.46 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.109999999999999 111.167 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -115.87 114.81 25.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 73.540000000000006 110.873 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -129.8 128.22 41.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 75.219999999999999 110.847 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -126.35 133.78 51.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 63.439999999999998 110.96 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 6.4 tptm -123.71 124.06 41.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 62.340000000000003 110.875 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -127.52 102.39 6.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 74.439999999999998 110.921 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 58.0 t -111.04 119.63 60.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 73.319999999999993 111.122 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -112.78 132.82 55.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 75.519999999999996 110.854 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 60.87 59.48 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 65.109999999999999 110.907 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.95 107.45 19.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 63.530000000000001 111.082 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 52.0 t0 62.15 102.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 75.109999999999999 110.907 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 21.5 t -129.5 133.97 64.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 65.540000000000006 111.099 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.99 -42.05 86.09 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.768 -0.73 . . . . 75.430000000000007 112.493 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.54 122.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 53.350000000000001 110.871 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 25.9 m120 -102.33 112.71 25.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 72.540000000000006 110.904 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -112.58 165.66 12.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 74.329999999999998 110.904 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.86 -133.56 27.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.714 -0.755 . . . . 73.439999999999998 112.493 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.94 118.91 34.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.756 0.312 . . . . 44.210000000000001 111.089 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 25.9 mm -130.45 128.82 64.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 64.310000000000002 111.104 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 mp -123.92 112.12 31.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 74.519999999999996 111.172 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -82.71 -13.24 78.51 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 74.349999999999994 112.518 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -169.76 107.47 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.801 0.334 . . . . 73.329999999999998 110.89 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.5 ttp -118.66 123.26 44.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 72.319999999999993 110.851 179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 68.3 t -123.58 111.93 31.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 62.350000000000001 111.161 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.74 31.69 31.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.759 -0.734 . . . . 73.310000000000002 112.48 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.4 -178.84 21.85 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 71.530000000000001 112.489 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 p -156.89 139.01 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.877 0.37 . . . . 60.340000000000003 111.107 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 19.0 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 71.430000000000007 111.128 179.929 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.819 0.343 . . . . 74.319999999999993 110.865 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.02 81.08 3.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 73.109999999999999 111.113 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.24 -37.27 34.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 73.450000000000003 110.892 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -169.43 116.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 45.420000000000002 110.866 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -111.33 107.55 16.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 74.349999999999994 110.866 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -96.26 108.85 21.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 65.219999999999999 110.825 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -118.17 100.45 7.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 75.239999999999995 110.846 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -147.64 175.31 10.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 74.129999999999995 110.866 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.76 -10.42 35.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 62.210000000000001 112.505 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.56 114.69 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 65.420000000000002 110.97 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -107.16 120.03 41.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 74.420000000000002 110.838 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.74 113.44 36.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 73.319999999999993 111.133 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 53.7 m170 -115.98 114.93 25.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 72.409999999999997 110.876 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -130.1 129.52 43.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 75.519999999999996 110.874 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -127.4 134.66 49.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 74.120000000000005 110.917 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 6.6 tptm -123.77 123.21 39.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 72.129999999999995 110.915 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -128.84 102.88 6.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 74.140000000000001 110.913 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 57.3 t -112.21 121.81 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 74.150000000000006 111.149 179.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -112.06 132.16 55.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 74.409999999999997 110.909 -179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 59.75 60.86 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 72.510000000000005 110.904 -179.883 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.54 107.3 19.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 72.340000000000003 111.113 179.921 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 51.6 t0 61.73 102.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 73.120000000000005 110.869 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -129.68 134.66 62.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 74.329999999999998 111.167 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.3 -42.78 90.02 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 71.109999999999999 112.512 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.81 121.96 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.916 0.389 . . . . 62.520000000000003 110.834 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -101.72 112.85 25.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 64.239999999999995 110.878 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.66 165.54 12.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 74.409999999999997 110.924 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.33 -132.72 29.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 60.539999999999999 112.447 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.93 118.42 34.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 65.409999999999997 111.048 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 25.2 mm -130.63 128.41 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 73.129999999999995 111.142 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 mp -124.1 112.08 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 72.519999999999996 111.127 179.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.52 -11.84 76.75 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 64.209999999999994 112.506 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -168.06 106.8 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 75.439999999999998 110.919 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 2.5 ttp -120.02 122.65 41.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 73.450000000000003 110.898 179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 67.8 t -124.78 111.65 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 75.150000000000006 111.14 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.92 31.47 32.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 61.439999999999998 112.433 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.63 -178.23 21.74 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 62.140000000000001 112.481 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 4.5 p -157.21 139.57 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 62.229999999999997 111.168 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 71.510000000000005 111.145 179.913 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.84 0.352 . . . . 44.32 110.866 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.48 80.13 3.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 73.140000000000001 111.118 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.16 -39.29 56.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 73.109999999999999 110.863 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -168.67 117.65 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 74.239999999999995 110.867 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -110.85 107.83 17.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 75.430000000000007 110.887 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -94.52 109.12 21.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 74.519999999999996 110.832 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -118.02 99.83 7.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 73.25 110.859 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -149.08 173.58 13.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 73.120000000000005 110.9 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.67 -9.29 38.27 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 75.120000000000005 112.482 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.23 113.37 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.83 0.348 . . . . 64.230000000000004 110.934 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -107.81 120.36 42.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 75.150000000000006 110.886 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.7 114.28 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 73.420000000000002 111.145 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 57.4 m170 -116.18 114.07 23.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 65.109999999999999 110.85 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -129.12 131.33 47.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 74.310000000000002 110.835 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 19.6 pt20 -129.54 136.22 49.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 74.340000000000003 110.899 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 6.8 tptm -123.99 122.76 38.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 74.409999999999997 110.952 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -129.46 102.17 6.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 73.129999999999995 110.921 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 59.0 t -110.42 122.5 65.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 74.129999999999995 111.143 179.837 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -111.45 129.85 55.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 65.409999999999997 110.903 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 58.77 60.53 2.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 75.349999999999994 110.832 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.93 107.5 19.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 73.25 111.1 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 52.4 t0 61.52 104.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 71.319999999999993 110.851 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t -130.84 134.2 62.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 73.310000000000002 111.129 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.16 -43.02 90.91 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.733 -0.746 . . . . 72.409999999999997 112.516 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.99 121.74 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.37 . . . . 71.430000000000007 110.832 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 26.9 m120 -101.54 114.28 28.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 75.549999999999997 110.873 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -113.51 164.32 13.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 73.450000000000003 110.92 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.04 -131.75 28.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 75.129999999999995 112.49 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.86 118.4 34.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.746 0.308 . . . . 63.140000000000001 111.094 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 27.6 mm -130.88 127.04 60.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 75.120000000000005 111.146 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mp -125.07 111.96 29.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 71.319999999999993 111.166 179.856 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.31 -10.21 71.48 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.718 -0.753 . . . . 74.209999999999994 112.477 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -164.82 105.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 74.140000000000001 110.883 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttp -122.33 123.11 40.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 74.239999999999995 110.904 179.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 72.4 t -127.35 111.31 24.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 72.219999999999999 111.161 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.52 30.96 35.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.765 -0.731 . . . . 71.319999999999993 112.47 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.24 -178.41 21.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 61.409999999999997 112.477 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 p -157.0 138.95 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 64.239999999999995 111.145 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 19.4 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 75.329999999999998 111.106 179.96 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.849 0.356 . . . . 54.450000000000003 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.64 72.06 7.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 64.450000000000003 111.043 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.83 -43.12 63.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 72.109999999999999 110.895 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -167.58 115.58 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.340000000000003 110.865 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -116.19 111.49 20.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 72.25 110.85 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 61.4 t60 -97.37 110.23 22.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 75.430000000000007 110.89 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -115.7 103.84 11.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 74.530000000000001 110.885 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -149.23 175.11 11.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 65.230000000000004 110.83 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.28 -10.42 31.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 52.130000000000003 112.446 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.32 114.49 0.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 75.120000000000005 110.926 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -107.28 120.08 41.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.498 . . . . 52.329999999999998 110.871 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 21.2 t -126.7 113.45 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 65.549999999999997 111.112 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -115.43 117.52 30.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 73.430000000000007 110.893 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -131.82 126.62 34.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 75.409999999999997 110.862 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -124.63 133.63 53.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 63.210000000000001 110.923 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 tptm -124.82 120.21 31.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 73.349999999999994 110.899 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -122.85 101.67 7.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 71.430000000000007 110.925 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 63.4 t -112.7 117.95 56.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 73.530000000000001 111.095 179.868 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . 0.412 ' CZ ' ' HG ' ' F' ' 34' ' ' LEU . 4.8 m-85 -112.34 138.69 48.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 72.409999999999997 110.895 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 63.05 52.57 2.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 72.530000000000001 110.837 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.94 110.89 22.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 74.340000000000003 111.056 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 51.1 t0 63.18 102.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 75.140000000000001 110.896 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 31.0 t -131.34 130.67 63.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 74.140000000000001 111.111 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.39 -40.52 94.54 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 61.219999999999999 112.503 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.56 122.52 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.906 0.384 . . . . 71.319999999999993 110.856 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -99.06 110.05 22.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 75.239999999999995 110.884 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -112.87 163.92 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 72.519999999999996 110.871 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.17 -139.69 19.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.681 -0.771 . . . . 74.209999999999994 112.523 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.28 118.48 30.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.764 0.316 . . . . 72.439999999999998 111.07 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 26.1 mm -130.53 136.06 59.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 75.430000000000007 111.154 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.9 mp -126.59 112.75 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 75.409999999999997 111.082 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.35 -20.54 78.75 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 54.109999999999999 112.47 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.412 ' HG ' ' CZ ' ' F' ' 19' ' ' PHE . 3.0 tm? -172.11 113.01 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 74.310000000000002 110.864 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.8 ttp -119.1 123.82 45.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 65.450000000000003 110.897 179.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 58.1 t -122.18 114.2 41.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 74.109999999999999 111.155 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.06 30.23 37.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 60.310000000000002 112.461 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.74 -178.13 21.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 53.409999999999997 112.514 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 5.3 p -157.64 140.41 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.358 . . . . 75.25 111.113 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 71.430000000000007 111.104 179.904 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.789 0.328 . . . . 74.140000000000001 110.881 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.33 72.3 8.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 74.150000000000006 111.1 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.46 -40.41 50.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 65.150000000000006 110.897 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.29 115.1 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 73.439999999999998 110.909 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -116.53 110.85 19.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 75.409999999999997 110.848 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -95.94 109.33 21.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 74.109999999999999 110.835 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -115.31 102.11 9.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 72.340000000000003 110.877 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -147.85 174.63 11.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 60.420000000000002 110.864 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.74 -10.58 32.56 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.741 . . . . 60.43 112.481 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.5 114.4 0.29 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.852 0.358 . . . . 71.239999999999995 110.9 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -106.9 119.86 40.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 73.409999999999997 110.884 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -125.67 113.47 34.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 74.219999999999999 111.115 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 55.0 m170 -115.89 117.79 31.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 71.140000000000001 110.856 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -131.61 127.7 37.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 75.319999999999993 110.895 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -125.94 133.22 51.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 74.409999999999997 110.896 -179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 6.8 tptm -124.51 122.73 38.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 73.230000000000004 110.886 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -125.95 102.38 7.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 75.319999999999993 110.937 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 57.6 t -112.19 118.92 58.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 74.349999999999994 111.117 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 3.7 m-85 -112.78 134.02 54.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 72.120000000000005 110.87 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 63.04 55.13 2.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 74.530000000000001 110.866 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.59 108.45 19.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 75.230000000000004 111.057 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 52.5 t0 62.54 103.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 62.420000000000002 110.888 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 22.0 t -130.61 132.38 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 64.340000000000003 111.12 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.32 -41.79 94.39 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.724 . . . . 71.209999999999994 112.512 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.52 121.28 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.371 . . . . 73.519999999999996 110.849 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -99.9 111.15 23.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 75.109999999999999 110.887 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -111.86 164.33 13.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 75.109999999999999 110.91 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.43 -137.58 24.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 40.310000000000002 112.505 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.32 120.39 33.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.79 0.328 . . . . 64.519999999999996 111.096 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 25.4 mm -131.76 134.39 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 75.329999999999998 111.149 179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mp -124.28 112.67 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 74.310000000000002 111.158 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.22 -18.92 73.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.698 -0.763 . . . . 71.109999999999999 112.536 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -171.19 112.25 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 73.510000000000005 110.905 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 2.5 ttp -119.89 123.33 43.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 74.510000000000005 110.832 179.838 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 64.2 t -122.83 113.54 38.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 73.510000000000005 111.102 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.72 30.75 29.07 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 74.340000000000003 112.476 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.94 -178.28 21.54 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 63.109999999999999 112.487 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 4.3 p -157.1 140.36 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.857 0.361 . . . . 75.140000000000001 111.151 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 18.3 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.209999999999994 111.168 179.944 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.81 0.338 . . . . 72.209999999999994 110.864 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.81 71.62 9.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 73.430000000000007 111.134 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.51 -41.22 53.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 75.239999999999995 110.887 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.59 114.88 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 63.509999999999998 110.887 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -116.53 110.42 18.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 74.340000000000003 110.842 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -94.7 109.5 21.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 74.340000000000003 110.853 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -116.12 101.82 9.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 64.420000000000002 110.852 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -147.2 174.84 11.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 74.120000000000005 110.851 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.06 -10.18 32.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 74.209999999999994 112.489 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.36 113.8 0.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 74.310000000000002 110.959 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -106.98 119.84 40.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 65.530000000000001 110.909 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.03 113.56 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 73.219999999999999 111.139 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -116.15 116.74 28.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 73.310000000000002 110.856 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -130.77 127.85 39.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 71.239999999999995 110.845 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -127.15 133.05 50.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 75.409999999999997 110.912 -179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -123.91 123.69 40.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 73.340000000000003 110.935 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -127.53 103.21 7.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 75.439999999999998 110.914 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 57.6 t -112.99 121.33 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 71.439999999999998 111.148 179.852 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -112.91 132.81 55.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 75.209999999999994 110.882 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 61.61 56.58 2.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 72.450000000000003 110.888 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.02 107.97 19.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 75.510000000000005 111.119 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 52.0 t0 62.1 103.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 61.210000000000001 110.887 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 22.7 t -130.38 133.17 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 72.219999999999999 111.129 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.18 -41.94 96.66 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 75.230000000000004 112.504 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.65 121.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.91 0.385 . . . . 74.510000000000005 110.872 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 27.0 m120 -99.94 111.13 23.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 75.230000000000004 110.898 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -111.82 164.05 13.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.439999999999998 110.897 179.908 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.97 -138.06 26.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 63.109999999999999 112.447 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.85 119.65 32.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 74.129999999999995 111.063 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 25.8 mm -131.53 133.33 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 74.140000000000001 111.098 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mp -123.04 111.94 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 71.549999999999997 111.105 179.875 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.75 -16.1 73.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 61.149999999999999 112.483 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -170.74 110.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.832 0.349 . . . . 73.340000000000003 110.897 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 2.5 ttp -119.86 122.93 42.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 72.230000000000004 110.856 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 66.1 t -124.13 112.39 32.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 75.239999999999995 111.134 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.45 30.13 25.51 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.753 -0.737 . . . . 54.530000000000001 112.476 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.54 -178.09 22.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.75 . . . . 71.120000000000005 112.499 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 4.1 p -157.4 139.17 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.367 . . . . 74.140000000000001 111.135 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 72.140000000000001 111.112 179.945 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.85 0.357 . . . . 61.539999999999999 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.13 72.49 7.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 73.129999999999995 111.063 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.2 -42.27 60.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 74.239999999999995 110.917 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.69 115.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 72.409999999999997 110.832 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -116.23 109.52 17.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 64.519999999999996 110.858 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -93.25 109.1 20.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 74.120000000000005 110.821 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -116.1 102.0 9.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 72.319999999999993 110.856 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -146.96 174.51 11.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 73.540000000000006 110.83 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.67 -10.3 33.36 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.69 -0.767 . . . . 72.340000000000003 112.438 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.42 113.52 0.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.834 0.35 . . . . 75.319999999999993 110.913 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -106.8 120.06 41.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 72.439999999999998 110.914 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -124.51 113.32 35.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 72.25 111.136 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 54.5 m170 -116.13 117.26 29.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 73.230000000000004 110.831 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -132.09 128.41 38.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 60.119999999999997 110.89 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -127.91 134.17 49.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 74.549999999999997 110.911 -179.905 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -124.0 123.64 40.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 74.310000000000002 110.865 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -128.98 103.37 6.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 73.140000000000001 110.884 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 58.1 t -113.21 122.56 67.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 73.219999999999999 111.128 179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -111.35 131.98 54.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 65.219999999999999 110.877 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 60.08 58.03 2.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 54.340000000000003 110.897 -179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.22 107.97 19.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 73.150000000000006 111.098 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 52.3 t0 61.83 103.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 73.230000000000004 110.843 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 21.9 t -130.9 133.79 62.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 74.329999999999998 111.1 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.78 -41.85 95.46 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 64.230000000000004 112.476 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.55 121.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.384 . . . . 71.530000000000001 110.861 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 26.2 m120 -101.26 111.72 24.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 73.510000000000005 110.923 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.65 164.33 13.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 74.420000000000002 110.902 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.76 -137.72 30.93 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.701 -0.762 . . . . 61.32 112.479 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -93.37 119.12 32.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.753 0.311 . . . . 74.129999999999995 111.127 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 24.6 mm -131.74 132.97 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 72.209999999999994 111.103 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mp -124.12 112.24 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 73.150000000000006 111.116 179.832 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.58 -14.25 71.1 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 71.540000000000006 112.463 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -168.58 108.49 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 74.329999999999998 110.926 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.3 ttp -119.97 121.73 39.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 74.129999999999995 110.891 179.829 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 72.5 t -126.07 114.29 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 75.430000000000007 111.124 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.69 30.08 20.04 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 72.430000000000007 112.455 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.06 -178.44 22.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 62.409999999999997 112.48 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 4.1 p -157.45 138.0 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 63.450000000000003 111.148 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 71.219999999999999 111.098 179.919 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.826 0.346 . . . . 72.549999999999997 110.873 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.74 77.05 6.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 73.140000000000001 111.117 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.35 -45.47 55.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 61.32 110.875 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -164.89 115.59 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 74.519999999999996 110.906 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -113.24 109.7 19.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 62.329999999999998 110.874 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -94.09 109.01 20.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 73.25 110.868 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -116.18 102.03 9.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 63.140000000000001 110.849 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -147.33 172.1 14.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 74.430000000000007 110.816 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.77 -9.65 37.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.699 -0.762 . . . . 63.420000000000002 112.486 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -171.7 111.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 74.239999999999995 110.894 -179.811 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -106.75 120.26 41.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 72.540000000000006 110.911 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 21.2 t -124.57 113.99 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 72.409999999999997 111.14 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -115.99 116.94 28.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 71.129999999999995 110.848 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -131.41 129.04 40.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 74.230000000000004 110.891 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 19.2 pt20 -127.48 135.46 50.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 64.409999999999997 110.91 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tptm -124.38 121.54 35.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 53.009999999999998 110.872 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -129.5 102.62 6.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 75.310000000000002 110.874 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 54.7 t -111.58 123.03 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 74.209999999999994 111.159 179.844 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -110.37 128.81 55.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 60.43 110.899 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 59.88 59.11 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 71.140000000000001 110.875 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.17 108.39 20.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 43.509999999999998 111.091 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 53.1 t0 61.84 104.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 73.530000000000001 110.86 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 23.9 t -131.49 133.09 62.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 73.239999999999995 111.136 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.86 -42.05 95.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.777 -0.725 . . . . 71.310000000000002 112.492 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.81 120.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 55.119999999999997 110.88 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 25.2 m120 -101.82 111.45 23.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 64.25 110.89 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -113.24 163.07 15.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 72.450000000000003 110.899 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.71 -136.17 37.34 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 61.439999999999998 112.496 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.97 118.14 31.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 72.310000000000002 111.086 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 23.9 mm -131.72 130.94 62.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 63.229999999999997 111.118 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mp -124.79 112.35 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 73.450000000000003 111.133 179.857 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.91 -10.95 68.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.729 . . . . 74.209999999999994 112.486 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -165.88 106.82 0.72 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.333 . . . . 74.409999999999997 110.921 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 2.3 ttp -121.88 121.94 38.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 73.319999999999993 110.889 179.817 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 75.0 t -128.54 114.43 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 75.140000000000001 111.146 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.75 29.71 19.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 43.350000000000001 112.514 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.22 -178.57 21.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.759 . . . . 73.109999999999999 112.488 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 p -157.63 139.3 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.358 . . . . 74.129999999999995 111.113 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 19.3 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 75.540000000000006 111.1 179.915 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.782 0.325 . . . . 73.109999999999999 110.863 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.04 104.67 1.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 75.530000000000001 111.072 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -55.26 -39.06 69.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 74.299999999999997 110.899 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -149.77 114.42 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 74.140000000000001 110.833 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -133.13 108.81 9.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 75.150000000000006 110.861 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -105.31 111.94 24.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 72.409999999999997 110.817 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -113.16 101.46 9.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 74.519999999999996 110.862 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.1 t -150.26 175.6 11.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 61.509999999999998 110.865 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.34 -7.32 40.43 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.772 -0.728 . . . . 74.340000000000003 112.436 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.1 116.28 0.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.838 0.351 . . . . 75.129999999999995 110.914 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -102.46 119.74 39.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 73.430000000000007 110.91 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.2 t -133.09 114.31 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 72.439999999999998 111.147 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 40.5 m170 -123.16 116.9 24.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 74.329999999999998 110.852 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -126.4 125.21 41.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 75.430000000000007 110.849 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -118.13 132.82 56.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 72.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -129.2 115.52 17.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 72.230000000000004 110.872 179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -124.79 111.27 15.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 64.439999999999998 110.906 179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 t -117.31 113.78 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 74.019999999999996 111.16 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.422 ' CZ ' ' HG ' ' A' ' 34' ' ' LEU . 3.3 m-85 -103.7 131.83 50.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 75.120000000000005 110.917 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 61.47 53.36 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 74.209999999999994 110.862 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.65 114.13 26.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 50.140000000000001 111.153 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 59.1 95.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 74.010000000000005 110.881 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.6 p -135.28 135.02 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 74.510000000000005 111.126 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.71 -55.52 20.07 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 74.510000000000005 112.482 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.7 m -169.33 130.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 74.329999999999998 110.883 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -97.71 102.01 13.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 73.209999999999994 110.86 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 tptp -113.98 166.05 11.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 73.0 110.926 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.29 -135.54 36.33 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.733 -0.746 . . . . 70.340000000000003 112.494 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.75 114.11 25.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 72.409999999999997 111.1 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -127.97 123.78 61.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 75.340000000000003 111.101 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.5 mt -114.65 111.22 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 73.420000000000002 111.16 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.94 -35.37 21.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 64.510000000000005 112.495 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.422 ' HG ' ' CZ ' ' A' ' 19' ' ' PHE . 2.6 tm? -164.63 107.68 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 75.0 110.943 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.0 ttm -122.5 125.5 45.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 64.129999999999995 110.856 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 65.9 t -119.66 119.4 60.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 70.409999999999997 111.159 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.3 27.07 23.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 64.230000000000004 112.495 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.67 175.41 24.36 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.739 . . . . 75.329999999999998 112.558 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.6 p -152.56 143.83 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 75.230000000000004 111.127 -179.948 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 73.0 111.062 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.859 0.361 . . . . 64.420000000000002 110.931 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.84 105.37 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 72.219999999999999 111.108 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -55.11 -38.34 68.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 75.140000000000001 110.875 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.46 114.25 5.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 75.400000000000006 110.946 -179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -130.31 108.81 10.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 72.140000000000001 110.879 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -105.58 111.36 24.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 63.009999999999998 110.893 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -113.88 100.96 8.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 74.150000000000006 110.867 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 19.9 t -149.75 175.72 11.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 64.540000000000006 110.845 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.1 -8.14 39.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.79 -0.719 . . . . 71.230000000000004 112.487 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.4 115.28 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.884 0.373 . . . . 70.010000000000005 110.908 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -101.4 119.89 39.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 74.310000000000002 110.88 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.4 t -131.65 114.44 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 73.25 111.182 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -124.03 117.52 24.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 75.439999999999998 110.808 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -126.56 127.38 45.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 75.349999999999994 110.89 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -118.36 132.99 56.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 75.409999999999997 110.911 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -126.46 116.31 20.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 72.409999999999997 110.913 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -125.29 110.65 14.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 74.299999999999997 110.901 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 7.5 t -117.58 114.87 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 72.150000000000006 111.115 179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -105.96 129.61 54.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 74.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 61.25 54.24 3.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 75.230000000000004 110.893 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.36 114.65 27.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 74.109999999999999 111.117 179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 58.37 95.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 75.420000000000002 110.865 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 4.2 p -135.45 132.66 52.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 75.420000000000002 111.103 179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.98 -54.05 27.54 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.755 -0.736 . . . . 70.109999999999999 112.444 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -168.95 130.36 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.921 0.391 . . . . 71.299999999999997 110.887 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -99.64 101.1 12.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 71.409999999999997 110.894 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 tptp -114.23 166.93 11.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 74.209999999999994 110.901 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.16 -135.5 40.06 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 62.409999999999997 112.464 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.95 114.15 25.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.763 0.316 . . . . 73.400000000000006 111.1 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -128.48 123.64 60.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 71.430000000000007 111.137 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 26.3 mt -114.74 109.6 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 73.430000000000007 111.156 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.44 -34.86 27.67 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 70.109999999999999 112.473 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -162.66 107.26 1.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 75.310000000000002 110.914 -179.917 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 46.2 ttm -121.92 124.13 43.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 75.099999999999994 110.934 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 65.8 t -122.21 117.72 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 72.140000000000001 111.127 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.98 26.84 28.28 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.783 -0.722 . . . . 62.210000000000001 112.49 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.38 176.27 25.29 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.773 -0.727 . . . . 72.129999999999995 112.486 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 5.1 p -152.16 143.53 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 75.430000000000007 111.092 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 75.140000000000001 111.142 179.883 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.854 0.359 . . . . 74.239999999999995 110.873 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.96 105.29 1.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 75.140000000000001 111.112 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -54.91 -37.33 66.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 71.209999999999994 110.862 -179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.79 114.36 4.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 75.230000000000004 110.888 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -128.59 108.66 10.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 74.340000000000003 110.835 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -106.29 109.37 21.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 75.439999999999998 110.835 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -113.13 101.08 9.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 75.239999999999995 110.861 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 19.4 t -149.34 175.42 11.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 75.340000000000003 110.886 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.81 -8.2 40.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 73.439999999999998 112.48 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.47 115.41 0.31 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.817 0.342 . . . . 75.299999999999997 110.935 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -101.83 120.05 39.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 74.540000000000006 110.872 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 96.7 t -131.47 114.4 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 74.239999999999995 111.137 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 43.7 m170 -124.11 117.41 24.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 72.200000000000003 110.885 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -126.53 127.97 46.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 74.420000000000002 110.868 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -118.91 133.49 55.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 73.439999999999998 110.901 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -124.67 116.77 22.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 74.349999999999994 110.862 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.66 109.79 12.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 74.239999999999995 110.921 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 9.9 t -118.29 115.79 49.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 74.319999999999993 111.115 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . 0.406 ' CD1' ' N ' ' C' ' 19' ' ' PHE . 1.9 m-85 -105.79 129.51 53.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 73.239999999999995 110.899 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 60.54 55.17 3.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 65.519999999999996 110.845 -179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.69 114.11 26.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 73.230000000000004 111.105 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 58.68 96.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 73.549999999999997 110.87 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 4.1 p -136.28 132.16 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 74.430000000000007 111.094 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.82 -54.06 30.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 75.040000000000006 112.509 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -167.68 129.73 1.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.887 0.375 . . . . 70.099999999999994 110.85 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 65.9 m-20 -99.93 100.31 11.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 72.439999999999998 110.896 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 2.3 tptp -114.53 167.4 10.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 73.219999999999999 110.892 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.83 -135.91 42.02 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 71.209999999999994 112.466 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.13 113.9 25.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.719 0.295 . . . . 71.310000000000002 111.092 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -129.02 123.87 59.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 73.040000000000006 111.133 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 24.2 mt -114.59 109.06 27.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 72.120000000000005 111.099 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.35 -33.02 29.67 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 64.5 112.504 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -161.3 106.87 1.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.859 0.361 . . . . 74.120000000000005 110.9 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 45.8 ttm -122.41 123.39 41.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 74.510000000000005 110.845 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 70.7 t -123.34 116.64 49.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 72.140000000000001 111.135 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.17 27.61 23.87 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 72.219999999999999 112.46 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.38 177.1 25.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.794 -0.717 . . . . 75.349999999999994 112.472 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 p -151.83 143.33 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.859 0.362 . . . . 73.209999999999994 111.106 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 71.230000000000004 111.134 179.942 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.828 0.347 . . . . 75.450000000000003 110.836 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.94 105.26 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 73.439999999999998 111.144 179.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -54.74 -37.36 65.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 74.439999999999998 110.849 -179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.03 114.61 4.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 72.510000000000005 110.908 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -127.74 108.56 10.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 72.430000000000007 110.883 -179.888 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -107.11 109.11 20.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 75.299999999999997 110.847 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -113.49 101.17 9.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 74.349999999999994 110.853 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 20.0 t -148.81 174.75 11.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 73.310000000000002 110.85 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.46 -8.11 41.33 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 73.140000000000001 112.481 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.31 115.04 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 75.420000000000002 110.958 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -101.95 120.48 40.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 74.430000000000007 110.847 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 94.1 t -131.7 114.2 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 75.25 111.177 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 44.6 m170 -124.27 116.96 23.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 63.520000000000003 110.867 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -126.67 128.23 46.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 65.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -118.84 135.13 54.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 63.439999999999998 110.903 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -124.17 116.24 22.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 74.040000000000006 110.899 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -128.16 108.79 10.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 75.530000000000001 110.93 179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 12.1 t -118.18 117.37 54.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 70.439999999999998 111.114 179.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 0.431 ' CD1' ' N ' ' D' ' 19' ' ' PHE . 1.6 m-85 -105.55 129.65 53.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 70.530000000000001 110.849 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 59.95 55.54 3.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 74.540000000000006 110.877 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.13 114.64 27.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 74.409999999999997 111.105 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 58.24 96.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 73.439999999999998 110.849 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 4.4 p -136.86 130.97 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 74.420000000000002 111.118 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.87 -54.11 30.06 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 44.119999999999997 112.475 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -166.89 129.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.845 0.355 . . . . 55.229999999999997 110.918 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -100.57 99.84 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 72.120000000000005 110.903 -179.979 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -114.77 167.48 10.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 75.540000000000006 110.904 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.4 -135.94 44.13 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.762 -0.732 . . . . 65.019999999999996 112.48 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.45 113.92 25.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.744 0.307 . . . . 74.040000000000006 111.11 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -129.69 123.7 57.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 63.409999999999997 111.12 -179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 24.6 mt -114.85 108.79 26.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 73.25 111.154 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.52 -31.35 27.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 51.539999999999999 112.459 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -159.63 106.43 1.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 75.540000000000006 110.907 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 44.6 ttm -124.88 122.56 37.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 63.5 110.934 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 71.7 t -123.51 116.79 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 73.219999999999999 111.11 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.91 27.94 22.77 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.775 -0.726 . . . . 72.310000000000002 112.534 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.13 177.08 26.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 75.25 112.547 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 4.7 p -151.5 143.43 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 75.140000000000001 111.138 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 74.140000000000001 111.115 179.909 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.803 0.335 . . . . 74.439999999999998 110.889 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.15 105.64 1.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 73.409999999999997 111.112 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -53.77 -37.59 63.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 75.420000000000002 110.877 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.38 115.57 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 74.540000000000006 110.916 -179.945 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -126.12 108.21 11.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 72.510000000000005 110.888 -179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -106.73 109.05 20.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 73.120000000000005 110.842 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -113.17 101.09 9.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 65.430000000000007 110.852 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 19.7 t -150.1 171.69 16.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 75.430000000000007 110.856 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.45 -7.15 46.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.76 . . . . 75.109999999999999 112.495 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -171.95 113.33 0.32 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.836 0.35 . . . . 74.310000000000002 110.893 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -102.91 121.29 42.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 75.420000000000002 110.875 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 93.0 t -131.25 114.9 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 75.109999999999999 111.143 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -124.07 115.25 20.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 74.530000000000001 110.875 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -125.98 128.7 47.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 71.109999999999999 110.875 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -118.49 137.46 53.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 75.129999999999995 110.937 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -123.74 115.45 21.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 75.329999999999998 110.876 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -129.55 109.03 10.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 72.209999999999994 110.897 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 5.8 t -116.73 119.34 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 64.299999999999997 111.146 179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -105.45 127.12 52.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 73.310000000000002 110.876 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 59.16 56.28 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 75.510000000000005 110.915 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.04 115.47 28.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 65.450000000000003 111.096 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 57.41 96.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 72.409999999999997 110.837 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 4.5 p -135.81 129.38 48.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 74.439999999999998 111.128 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.23 -52.59 43.05 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.774 -0.727 . . . . 63.329999999999998 112.499 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -167.16 126.67 1.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.896 0.379 . . . . 71.420000000000002 110.799 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -100.46 99.55 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 75.510000000000005 110.904 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.4 tptp -115.72 167.99 10.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 75.439999999999998 110.875 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.75 -134.71 46.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 63.130000000000003 112.474 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -97.31 113.72 25.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 64.530000000000001 111.062 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -130.04 123.75 56.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 75.319999999999993 111.104 179.973 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 27.0 mt -116.62 108.38 24.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 74.310000000000002 111.139 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.66 -28.03 27.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 71.430000000000007 112.513 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -158.23 105.89 1.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.815 0.341 . . . . 75.540000000000006 110.869 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 42.7 ttm -127.96 123.22 34.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 73.409999999999997 110.87 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 72.4 t -125.85 116.88 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 74.329999999999998 111.106 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.93 27.97 23.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 52.509999999999998 112.521 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.12 176.99 26.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 74.430000000000007 112.441 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 5.4 p -151.31 143.45 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 75.040000000000006 111.152 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 74.239999999999995 111.169 179.901 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.768 0.318 . . . . 64.519999999999996 110.853 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.36 105.2 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 63.409999999999997 111.119 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -54.45 -40.35 68.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 71.409999999999997 110.902 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -150.95 114.72 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 74.430000000000007 110.883 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -132.73 109.15 9.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 75.109999999999999 110.873 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -105.2 111.17 23.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 75.030000000000001 110.877 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -112.09 101.5 9.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 74.420000000000002 110.851 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 19.6 t -150.45 175.51 11.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 72.109999999999999 110.837 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.57 -7.47 39.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 62.409999999999997 112.478 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.12 116.01 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.878 0.37 . . . . 75.219999999999999 110.979 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -102.2 119.76 39.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 74.129999999999995 110.869 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 98.8 t -132.75 114.08 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 74.099999999999994 111.119 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -122.72 117.01 24.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 74.319999999999993 110.831 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -126.42 125.51 42.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 74.340000000000003 110.839 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -118.05 132.87 56.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 75.120000000000005 110.917 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -129.15 115.5 17.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 75.420000000000002 110.905 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -125.22 111.08 14.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 72.0 110.954 179.922 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 12.2 t -117.59 114.13 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 74.409999999999997 111.14 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . 0.421 ' CZ ' ' HG ' ' F' ' 34' ' ' LEU . 3.4 m-85 -104.09 131.85 50.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 74.519999999999996 110.878 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 61.12 53.76 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 75.319999999999993 110.838 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.54 113.62 25.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 71.200000000000003 111.13 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 59.3 95.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 74.150000000000006 110.859 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 5.1 p -134.65 134.34 54.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 72.420000000000002 111.115 179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.21 -55.49 21.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.706 -0.759 . . . . 75.019999999999996 112.483 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.0 m -168.18 128.82 1.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 71.010000000000005 110.874 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -97.32 101.42 12.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 74.019999999999996 110.892 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 tptp -113.32 167.24 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 73.409999999999997 110.884 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.67 -137.58 30.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 75.5 112.451 179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.51 113.83 25.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.331 . . . . 53.409999999999997 111.058 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -126.99 125.21 66.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 72.349999999999994 111.136 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 26.6 mt -115.94 110.88 33.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 73.340000000000003 111.152 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.61 -36.57 22.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 52.32 112.44 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.421 ' HG ' ' CZ ' ' F' ' 19' ' ' PHE . 2.6 tm? -164.17 107.79 0.95 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 64.219999999999999 110.927 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 46.0 ttm -122.38 124.89 44.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 75.430000000000007 110.894 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 66.8 t -118.99 119.38 60.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 75.450000000000003 111.105 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.5 26.88 24.46 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.715 -0.755 . . . . 72.519999999999996 112.534 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.21 175.52 24.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.7 -0.762 . . . . 74.409999999999997 112.486 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 5.5 p -152.68 143.68 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.381 . . . . 73.540000000000006 111.129 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 70.319999999999993 111.144 179.91 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.826 0.346 . . . . 75.510000000000005 110.888 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.62 104.95 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 71.25 111.091 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -54.54 -38.96 67.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 70.319999999999993 110.871 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.28 114.81 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 75.129999999999995 110.904 -179.91 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -130.81 108.97 10.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 73.519999999999996 110.845 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -105.23 110.12 22.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 75.510000000000005 110.857 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -112.26 100.93 9.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 64.109999999999999 110.874 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 19.8 t -149.93 175.5 11.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 74.519999999999996 110.806 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.16 -8.21 39.18 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 65.519999999999996 112.478 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.32 115.24 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 73.510000000000005 110.947 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -101.49 119.81 39.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 74.150000000000006 110.894 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 95.8 t -131.4 114.24 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 74.439999999999998 111.177 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -123.71 117.73 25.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 72.030000000000001 110.845 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -127.06 127.23 44.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 74.109999999999999 110.841 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -118.26 132.89 56.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 73.439999999999998 110.92 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 tptm -126.11 116.58 21.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 75.329999999999998 110.839 -179.972 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -125.68 110.77 14.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 72.25 110.915 179.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 8.4 t -117.91 115.15 47.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 71.25 111.137 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -106.11 129.64 54.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 74.109999999999999 110.886 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 6.1 m-85 61.19 54.28 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 74.310000000000002 110.895 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.14 113.98 26.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 72.129999999999995 111.114 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 58.79 96.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 64.010000000000005 110.888 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 4.1 p -135.01 132.08 53.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 73.129999999999995 111.139 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.61 -53.8 30.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 74.219999999999999 112.477 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -167.7 128.89 1.47 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.89 0.376 . . . . 63.43 110.904 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 -99.57 99.93 10.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 64.519999999999996 110.903 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 4.7 tptp -113.66 168.32 9.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 75.25 110.893 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.47 -137.3 34.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.696 -0.764 . . . . 60.109999999999999 112.487 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.95 113.7 25.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 75.340000000000003 111.117 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -127.45 124.28 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 63.109999999999999 111.139 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 26.3 mt -114.92 109.54 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 73.310000000000002 111.111 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.97 -35.5 27.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 44.130000000000003 112.486 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -162.79 107.4 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 74.430000000000007 110.951 -179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 46.4 ttm -121.93 124.18 43.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 73.129999999999995 110.913 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 67.2 t -121.57 117.67 53.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 64.310000000000002 111.161 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.99 26.91 28.54 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.778 -0.725 . . . . 54.340000000000003 112.462 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.0 176.33 25.77 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.77 -0.729 . . . . 71.310000000000002 112.459 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 4.7 p -152.06 143.49 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.362 . . . . 75.120000000000005 111.17 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 73.230000000000004 111.122 179.942 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.795 0.331 . . . . 64.340000000000003 110.864 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.34 105.07 1.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 72.400000000000006 111.075 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -54.43 -38.91 66.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 61.329999999999998 110.889 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.09 114.76 4.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 62.399999999999999 110.863 -179.943 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -129.48 108.89 10.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 73.219999999999999 110.888 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -106.04 109.05 20.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 74.420000000000002 110.812 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -112.43 101.08 9.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 71.010000000000005 110.858 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 19.2 t -149.26 175.25 11.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 73.230000000000004 110.818 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.66 -8.36 40.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 71.239999999999995 112.527 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.47 115.43 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.878 0.371 . . . . 74.549999999999997 110.897 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -101.62 120.01 39.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 71.109999999999999 110.863 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 96.8 t -131.29 114.28 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 74.200000000000003 111.146 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -124.15 117.57 24.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 75.120000000000005 110.859 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -127.02 127.28 44.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 74.030000000000001 110.873 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -118.22 133.32 56.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 74.430000000000007 110.916 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -124.59 116.62 22.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 74.519999999999996 110.91 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.53 109.28 11.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 63.530000000000001 110.956 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 10.6 t -117.92 115.97 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 73.5 111.109 179.859 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -105.9 129.7 54.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 74.209999999999994 110.872 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 60.51 55.09 3.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 72.329999999999998 110.909 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.43 114.04 26.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 73.150000000000006 111.128 179.898 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 58.66 96.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 72.040000000000006 110.879 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 4.0 p -135.84 131.63 50.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 73.329999999999998 111.141 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.51 -53.99 32.5 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 62.140000000000001 112.488 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -166.57 128.63 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 61.100000000000001 110.837 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -100.95 99.68 10.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 75.230000000000004 110.853 -179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -114.24 169.23 9.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 74.209999999999994 110.857 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.14 -137.09 37.87 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 61.310000000000002 112.489 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.23 113.62 25.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 45.140000000000001 111.128 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -128.19 124.66 62.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 74.109999999999999 111.124 -179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 25.7 mt -115.22 108.86 26.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 70.540000000000006 111.152 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.48 -33.38 28.33 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.677 -0.773 . . . . 74.010000000000005 112.463 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -160.96 106.97 1.42 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.821 0.343 . . . . 74.319999999999993 110.919 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 46.1 ttm -122.7 123.26 40.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 55.219999999999999 110.852 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 70.1 t -122.99 116.55 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 74.450000000000003 111.145 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.31 27.67 25.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.795 -0.716 . . . . 61.520000000000003 112.417 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.13 176.91 26.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.734 . . . . 72.129999999999995 112.471 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 p -151.61 143.29 16.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 74.049999999999997 111.097 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 64.319999999999993 111.155 179.903 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.806 0.336 . . . . 71.150000000000006 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.5 104.7 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 74.400000000000006 111.06 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -54.39 -39.16 66.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 72.439999999999998 110.877 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.13 114.98 4.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 74.230000000000004 110.89 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -129.02 108.8 10.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 75.239999999999995 110.871 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -106.32 108.85 20.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 71.150000000000006 110.829 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -112.68 101.33 9.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 73.219999999999999 110.84 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 19.2 t -149.19 174.69 12.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 71.329999999999998 110.835 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.49 -8.25 40.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 75.349999999999994 112.489 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.3 114.9 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.844 0.354 . . . . 64.439999999999998 110.952 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -101.76 120.34 40.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 74.219999999999999 110.91 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 96.4 t -131.53 114.1 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 73.200000000000003 111.1 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 41.1 m170 -124.49 117.38 24.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 74.150000000000006 110.816 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -127.25 128.13 45.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 74.209999999999994 110.815 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -118.25 134.85 54.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 73.450000000000003 110.945 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -124.07 116.21 22.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 72.420000000000002 110.886 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -128.17 108.25 10.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 64.219999999999999 110.871 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 12.0 t -117.69 117.5 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 70.209999999999994 111.13 179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' I' ' 19' ' ' PHE . 1.6 m-85 -105.61 129.58 53.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 74.230000000000004 110.892 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 59.93 55.64 3.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 74.540000000000006 110.87 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.08 114.28 26.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 65.319999999999993 111.107 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 58.32 97.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 74.349999999999994 110.842 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 4.5 p -136.49 130.42 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 71.519999999999996 111.123 -179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.23 -54.09 31.22 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.77 -0.729 . . . . 52.310000000000002 112.462 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -165.78 128.2 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.889 0.376 . . . . 74.239999999999995 110.84 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 71.7 m-20 -102.04 99.3 9.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 73.200000000000003 110.922 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -114.86 169.24 9.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 74.030000000000001 110.892 179.965 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.43 -136.43 43.58 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 65.200000000000003 112.454 179.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.35 113.45 25.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 74.430000000000007 111.093 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -129.04 124.73 61.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 75.219999999999999 111.137 179.966 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 25.5 mt -115.75 108.46 25.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 61.420000000000002 111.159 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.64 -31.52 26.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 71.209999999999994 112.508 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 3.5 tm? -158.9 106.73 1.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.34 . . . . 75.120000000000005 110.907 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 43.9 ttm -125.14 122.42 37.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 72.400000000000006 110.899 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 68.5 t -123.88 116.89 49.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 75.349999999999994 111.109 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.9 27.73 22.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 72.230000000000004 112.48 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.95 176.87 26.23 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.715 -0.755 . . . . 73.420000000000002 112.454 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 4.6 p -151.47 143.27 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 74.209999999999994 111.127 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 75.200000000000003 111.144 179.939 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.762 0.315 . . . . 74.239999999999995 110.888 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.67 105.21 1.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 74.319999999999993 111.109 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -54.0 -39.29 65.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 72.420000000000002 110.896 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -151.54 115.4 4.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 65.340000000000003 110.921 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -128.49 108.8 10.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 74.400000000000006 110.868 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -106.39 108.94 20.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 74.319999999999993 110.893 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -112.89 101.32 9.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 54.299999999999997 110.887 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 20.2 t -149.95 171.34 16.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 75.099999999999994 110.865 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.05 -7.21 47.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 74.040000000000006 112.491 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.16 112.91 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.813 0.34 . . . . 71.329999999999998 110.89 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -101.85 120.75 40.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 73.510000000000005 110.905 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 96.3 t -131.18 114.26 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 71.120000000000005 111.115 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 42.8 m170 -124.31 115.75 21.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 74.099999999999994 110.86 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -126.5 128.58 47.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 73.319999999999993 110.83 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -117.86 137.47 52.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 75.129999999999995 110.892 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 12.6 tptm -124.01 115.45 21.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 74.340000000000003 110.887 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -129.65 108.51 10.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 73.109999999999999 110.901 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 5.7 t -116.41 119.43 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 65.340000000000003 111.189 179.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -105.67 127.22 52.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 73.219999999999999 110.878 -179.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 59.36 56.09 3.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 70.120000000000005 110.939 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.29 115.7 28.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 73.140000000000001 111.131 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 57.61 97.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 61.310000000000002 110.827 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 4.2 p -136.36 128.38 44.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 74.310000000000002 111.125 179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.43 -52.45 44.71 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.704 -0.76 . . . . 63.450000000000003 112.495 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -165.89 124.63 1.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.38 . . . . 74.129999999999995 110.851 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 72.4 m-20 -101.83 98.96 9.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 75.299999999999997 110.866 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 4.7 tptp -116.22 170.46 8.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 73.209999999999994 110.861 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.72 -135.37 46.07 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.729 -0.748 . . . . 74.0 112.502 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.87 113.25 24.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.756 0.312 . . . . 75.5 111.133 179.926 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -129.84 124.9 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 74.409999999999997 111.096 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 29.4 mt -117.69 108.01 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 70.140000000000001 111.09 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.98 -27.71 27.88 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.719 -0.753 . . . . 73.219999999999999 112.51 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 3.3 tm? -157.52 106.12 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 64.420000000000002 110.951 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 41.3 ttm -127.47 122.85 34.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 75.120000000000005 110.897 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 77.1 t -126.44 116.57 45.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 74.140000000000001 111.158 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.94 27.75 22.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 62.409999999999997 112.504 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.81 177.21 26.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.752 . . . . 74.420000000000002 112.514 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 5.2 p -151.66 143.76 16.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.928 0.394 . . . . 71.310000000000002 111.086 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 71.549999999999997 111.115 179.908 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.842 0.354 . . . . 74.319999999999993 110.899 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.63 79.89 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 65.329999999999998 111.119 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.452 ' CA ' ' HA2' ' F' ' 29' ' ' GLY . 2.4 mp0 -51.78 -54.51 27.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 75.150000000000006 110.885 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -137.81 115.31 11.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 65.049999999999997 110.904 -179.932 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.03 108.5 13.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 74.439999999999998 110.888 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -110.1 112.81 25.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 71.329999999999998 110.845 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -121.98 101.64 7.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 72.109999999999999 110.821 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -151.83 176.88 10.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 74.519999999999996 110.875 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.83 -1.97 49.25 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.699 -0.763 . . . . 71.519999999999996 112.469 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.24 119.1 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.37 . . . . 74.420000000000002 110.914 -179.832 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -109.11 118.54 37.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 74.030000000000001 110.879 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 18.8 m -135.74 132.87 51.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 74.0 111.126 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -131.67 115.74 16.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 72.150000000000006 110.861 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -124.57 119.33 28.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 73.349999999999994 110.889 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -121.35 133.72 55.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 63.030000000000001 110.913 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.1 tptm -125.17 115.28 20.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 74.120000000000005 110.878 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -121.25 109.61 15.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 73.519999999999996 110.873 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.9 m -118.78 122.27 69.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 70.530000000000001 111.11 179.828 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -117.54 131.99 56.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 73.540000000000006 110.894 -179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 63.46 63.54 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 75.120000000000005 110.909 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.25 113.5 27.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 73.530000000000001 111.095 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 64.67 109.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 75.099999999999994 110.88 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.2 p -151.32 133.55 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 70.140000000000001 111.143 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.79 -72.96 0.58 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.763 -0.732 . . . . 74.140000000000001 112.486 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -144.67 124.2 13.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 74.25 110.825 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -98.75 114.77 27.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 73.310000000000002 110.937 179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -114.6 165.99 12.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 74.219999999999999 110.881 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.48 -147.07 10.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.741 . . . . 54.32 112.477 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.67 113.73 23.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.759 0.314 . . . . 73.329999999999998 111.074 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -123.18 127.06 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 73.439999999999998 111.106 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mp -126.93 119.7 53.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 74.530000000000001 111.129 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.72 -29.12 27.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.756 . . . . 50.039999999999999 112.468 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . . . . . . . . . 2.2 tm? -156.48 108.98 2.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.796 0.331 . . . . 75.25 110.928 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.8 ttp -123.87 128.19 49.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.0 110.88 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.3 t -115.47 112.79 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 74.409999999999997 111.113 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.3 25.24 25.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.724 -0.75 . . . . 73.319999999999993 112.498 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.05 -173.25 46.43 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 71.030000000000001 112.523 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 5.7 p -169.14 144.57 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 74.540000000000006 111.16 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.1 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 74.400000000000006 111.139 179.968 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.825 0.345 . . . . 72.319999999999993 110.858 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.3 79.43 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 74.239999999999995 111.122 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.42 ' CA ' ' HA2' ' G' ' 29' ' ' GLY . 2.2 mp0 -50.36 -53.47 28.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 61.420000000000002 110.881 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -136.63 115.45 12.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 75.530000000000001 110.88 -179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.67 109.0 14.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 75.239999999999995 110.867 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -110.0 113.21 25.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 64.219999999999999 110.859 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -122.07 101.21 7.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 74.140000000000001 110.837 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.418 ' O ' ' HA ' ' C' ' 8' ' ' SER . 2.8 p -152.76 176.55 11.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 73.420000000000002 110.909 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.41 -3.83 47.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.725 -0.75 . . . . 73.239999999999995 112.493 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.39 116.13 0.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.855 0.36 . . . . 75.310000000000002 110.951 -179.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -107.96 118.44 36.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 73.409999999999997 110.903 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 18.0 m -132.6 132.38 59.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 75.439999999999998 111.105 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -129.69 118.6 22.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 62.43 110.879 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 -125.84 120.46 30.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 74.329999999999998 110.879 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -123.2 133.1 54.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 73.25 110.901 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -125.09 115.74 20.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 75.409999999999997 110.878 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -122.41 110.12 15.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 75.439999999999998 110.913 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 35.1 m -120.16 121.75 66.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 65.519999999999996 111.142 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -114.92 131.36 56.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 70.25 110.861 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 62.68 65.38 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 74.219999999999999 110.87 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.99 113.46 27.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 75.120000000000005 111.102 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 64.47 110.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 62.399999999999999 110.89 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 6.7 p -151.43 133.4 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 71.340000000000003 111.131 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.72 -72.23 0.72 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.713 -0.756 . . . . 73.219999999999999 112.511 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -144.59 124.01 13.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 70.099999999999994 110.895 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -98.74 115.45 28.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 73.340000000000003 110.889 -179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -114.95 165.79 12.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 74.319999999999993 110.886 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.7 -147.55 11.08 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.708 -0.758 . . . . 72.450000000000003 112.512 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.64 114.59 24.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.755 0.312 . . . . 55.539999999999999 111.132 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -123.95 125.28 70.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 64.439999999999998 111.106 -179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mp -127.67 118.95 50.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 73.209999999999994 111.141 179.831 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.29 -27.9 24.08 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 73.129999999999995 112.501 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . . . . . . . . . 2.6 tm? -152.37 107.56 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 74.540000000000006 110.894 -179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.9 ttp -124.89 125.62 44.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 73.209999999999994 110.857 179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 38.3 t -115.43 112.1 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 73.409999999999997 111.146 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.3 25.48 26.35 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 65.319999999999993 112.482 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.2 -172.91 46.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.707 -0.759 . . . . 75.120000000000005 112.521 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 p -169.25 144.18 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 75.439999999999998 111.092 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 60.450000000000003 111.095 179.91 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.796 0.331 . . . . 73.040000000000006 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.55 78.95 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.443 . . . . 61.210000000000001 111.137 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.43 ' CA ' ' HA2' ' H' ' 29' ' ' GLY . 2.3 mp0 -51.44 -53.99 31.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 75.140000000000001 110.878 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -137.19 115.35 11.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 75.019999999999996 110.879 -179.899 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.76 108.94 14.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.498 . . . . 73.549999999999997 110.839 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -110.59 112.82 24.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 75.109999999999999 110.844 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -120.58 101.29 7.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 74.420000000000002 110.893 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 8' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' D' ' 8' ' ' SER . 2.8 p -152.82 176.35 11.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 73.430000000000007 110.862 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.29 -3.95 44.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 74.409999999999997 112.46 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.41 115.59 0.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.842 0.353 . . . . 73.409999999999997 110.902 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -108.39 119.45 39.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 73.310000000000002 110.893 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 17.5 m -131.88 132.59 61.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 74.140000000000001 111.16 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -130.32 118.51 21.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 72.430000000000007 110.898 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -124.98 121.41 34.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 71.109999999999999 110.826 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -124.35 133.03 53.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 73.420000000000002 110.944 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -124.86 115.74 21.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 72.430000000000007 110.878 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -122.83 110.53 15.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 64.349999999999994 110.911 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 35.2 m -120.95 122.56 68.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 75.219999999999999 111.078 179.856 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -113.97 130.63 56.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 74.409999999999997 110.884 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 62.0 66.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 75.120000000000005 110.813 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.0 114.0 27.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 74.109999999999999 111.067 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 64.46 109.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 74.140000000000001 110.842 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 p -151.32 133.05 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 65.329999999999998 111.103 179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.39 -71.64 0.83 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 64.310000000000002 112.51 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -144.94 123.67 12.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.931 0.396 . . . . 64.319999999999993 110.855 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -98.24 115.82 29.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 71.150000000000006 110.878 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -114.91 165.87 12.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 75.200000000000003 110.858 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.9 -147.35 12.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 72.409999999999997 112.446 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.18 114.54 24.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 73.329999999999998 111.065 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -123.87 124.52 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 75.120000000000005 111.171 179.943 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mp -127.29 117.69 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 71.530000000000001 111.104 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.48 -26.96 26.25 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 51.340000000000003 112.443 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -152.03 106.93 3.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.834 0.349 . . . . 71.230000000000004 110.937 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.9 ttp -124.54 124.67 42.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 73.030000000000001 110.865 179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 39.8 t -115.63 111.47 35.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.253 -0.43 . . . . 74.420000000000002 111.089 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.95 25.48 23.85 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.743 . . . . 75.329999999999998 112.516 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.51 -172.47 45.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 73.430000000000007 112.476 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 p -169.25 144.33 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.367 . . . . 71.209999999999994 111.14 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.2 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 73.010000000000005 111.149 179.874 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.832 0.349 . . . . 71.200000000000003 110.88 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.23 79.45 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 75.040000000000006 111.124 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . 0.433 ' CA ' ' HA2' ' I' ' 29' ' ' GLY . 2.4 mp0 -52.24 -53.99 36.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 73.409999999999997 110.852 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -137.23 115.22 11.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 73.340000000000003 110.923 -179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.46 108.8 14.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 71.400000000000006 110.854 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -110.68 112.51 24.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 74.219999999999999 110.877 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -119.48 101.35 7.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 71.409999999999997 110.82 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 8' ' ' SER . . . . . 0.427 ' HA ' ' O ' ' C' ' 8' ' ' SER . 2.7 p -153.38 174.96 13.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 73.310000000000002 110.889 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.01 -4.19 44.99 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.748 -0.739 . . . . 73.340000000000003 112.462 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.17 115.71 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.823 0.344 . . . . 71.420000000000002 110.922 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -110.39 120.41 42.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 75.329999999999998 110.862 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 19.7 m -131.11 132.45 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 72.140000000000001 111.12 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -130.22 117.41 19.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 64.299999999999997 110.876 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -123.4 122.0 37.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 72.530000000000001 110.894 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -124.94 133.39 53.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 74.150000000000006 110.928 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -124.52 115.52 21.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 70.430000000000007 110.912 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -123.48 110.74 15.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 75.319999999999993 110.889 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 35.3 m -121.0 123.25 69.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 61.43 111.099 179.806 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -112.43 129.2 56.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 75.120000000000005 110.868 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 61.54 67.35 0.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 74.409999999999997 110.895 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.37 114.31 28.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 63.240000000000002 111.103 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 64.44 108.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 53.409999999999997 110.852 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 7.2 p -151.37 132.35 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 73.450000000000003 111.101 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.84 -71.42 0.87 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.765 -0.731 . . . . 54.450000000000003 112.471 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -144.56 123.58 12.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 75.540000000000006 110.868 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -97.97 115.57 28.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 74.310000000000002 110.894 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -114.88 165.73 12.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 75.25 110.911 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.06 -147.74 11.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 44.450000000000003 112.518 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.4 113.92 24.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.768 0.318 . . . . 71.409999999999997 111.122 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -123.83 124.38 69.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 74.349999999999994 111.137 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mp -127.92 117.54 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 74.430000000000007 111.157 179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.35 -26.56 25.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 74.540000000000006 112.483 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -150.19 106.26 3.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.834 0.349 . . . . 74.219999999999999 110.904 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 3.0 ttp -124.59 123.46 40.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 72.420000000000002 110.865 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 40.6 t -115.44 110.98 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 75.420000000000002 111.151 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.59 25.55 21.45 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.715 -0.755 . . . . 63.219999999999999 112.481 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.62 -172.03 45.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 65.120000000000005 112.476 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 4.2 p -169.22 144.22 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.911 0.386 . . . . 75.319999999999993 111.111 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 74.109999999999999 111.093 179.953 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.85 0.357 . . . . 74.530000000000001 110.846 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.71 82.62 1.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 74.329999999999998 111.084 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . 0.438 ' CA ' ' HA2' ' J' ' 29' ' ' GLY . 2.4 mp0 -51.31 -53.99 30.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 75.129999999999995 110.907 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -135.52 115.7 13.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 70.450000000000003 110.885 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.3 108.21 14.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 75.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -111.22 112.95 25.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 71.099999999999994 110.854 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -117.6 100.76 7.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 71.420000000000002 110.899 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 2.7 p -155.35 170.04 22.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 73.200000000000003 110.869 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.95 -2.85 45.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 62.329999999999998 112.474 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -169.82 112.65 0.48 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.793 0.33 . . . . 74.129999999999995 110.931 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -113.29 120.08 39.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 73.200000000000003 110.906 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 m -129.93 132.97 65.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 75.230000000000004 111.149 179.995 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -130.02 116.24 18.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 75.349999999999994 110.839 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 -120.92 121.85 38.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 71.209999999999994 110.868 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -124.17 134.34 53.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 73.140000000000001 110.944 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -124.66 115.3 20.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 75.230000000000004 110.926 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -124.4 109.27 13.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 72.010000000000005 110.907 179.916 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 m -119.09 123.9 72.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 75.340000000000003 111.098 179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -111.42 127.97 55.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 75.329999999999998 110.887 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 60.36 68.47 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 75.409999999999997 110.905 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.89 114.87 29.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 74.439999999999998 111.099 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 64.41 108.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 64.430000000000007 110.86 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -151.62 131.61 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 63.25 111.089 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.63 -71.55 0.85 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 71.129999999999995 112.49 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -144.21 123.24 12.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 73.129999999999995 110.851 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -97.78 115.23 27.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 75.540000000000006 110.913 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -114.75 165.34 12.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 72.409999999999997 110.886 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.13 -147.1 13.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 74.439999999999998 112.44 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.45 113.93 24.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 63.020000000000003 111.117 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -123.43 124.4 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 75.200000000000003 111.12 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mp -129.28 116.12 38.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 74.129999999999995 111.142 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.12 -22.91 31.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 71.5 112.481 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -151.44 106.09 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 71.430000000000007 110.899 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 2.9 ttp -126.09 124.77 41.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 64.400000000000006 110.902 179.783 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 29.2 t -118.55 110.22 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 72.349999999999994 111.098 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.85 24.64 27.29 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 74.209999999999994 112.519 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.13 -172.54 44.78 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.727 -0.749 . . . . 63.409999999999997 112.464 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 4.5 p -169.27 144.14 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 74.329999999999998 111.097 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 21.9 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 74.420000000000002 111.135 179.896 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.813 0.339 . . . . 65.109999999999999 110.902 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.31 79.34 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 50.420000000000002 111.1 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -51.92 -53.81 36.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 74.349999999999994 110.886 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -137.34 115.52 11.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 71.549999999999997 110.875 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.04 109.08 14.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 75.109999999999999 110.879 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -110.25 112.02 23.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 74.239999999999995 110.835 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -121.07 101.98 8.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 61.219999999999999 110.853 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 2.7 p -151.62 176.63 11.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 64.420000000000002 110.898 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.83 -2.36 49.32 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.728 -0.749 . . . . 71.420000000000002 112.458 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.14 118.55 0.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.883 0.373 . . . . 74.030000000000001 110.907 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -108.23 118.49 36.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 73.019999999999996 110.824 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 19.9 m -135.31 132.72 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 75.109999999999999 111.116 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -131.5 115.57 16.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 65.340000000000003 110.847 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -124.56 119.65 29.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 73.450000000000003 110.884 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -121.84 133.11 54.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 72.430000000000007 110.896 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -124.9 115.42 20.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 74.540000000000006 110.92 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -121.76 109.15 14.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 73.219999999999999 110.924 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 35.4 m -118.75 122.65 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 75.109999999999999 111.152 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -117.66 131.3 56.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 75.540000000000006 110.871 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 63.57 64.5 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 75.040000000000006 110.885 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.27 112.68 25.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 64.239999999999995 111.121 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 64.79 110.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 72.340000000000003 110.885 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 7.0 p -151.07 134.23 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 75.510000000000005 111.146 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.63 -73.92 0.5 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 74.329999999999998 112.499 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -143.45 123.32 13.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.914 0.388 . . . . 63.130000000000003 110.831 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -98.73 114.75 27.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 74.120000000000005 110.915 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -113.99 167.65 10.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 72.310000000000002 110.929 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . 0.452 ' HA2' ' CA ' ' A' ' 3' ' ' GLU . . . 50.42 -150.48 5.6 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.743 -0.741 . . . . 55.520000000000003 112.491 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -85.89 113.36 21.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.8 0.333 . . . . 74.519999999999996 111.07 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.41 129.4 75.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 74.420000000000002 111.11 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mp -127.79 119.35 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 74.099999999999994 111.171 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.92 -30.15 26.86 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.759 -0.734 . . . . 72.400000000000006 112.491 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -156.15 109.77 2.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 73.540000000000006 110.917 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.8 ttp -124.54 127.6 47.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 75.510000000000005 110.894 179.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 39.3 t -114.54 112.22 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 75.030000000000001 111.109 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.48 24.98 26.0 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.783 -0.723 . . . . 74.010000000000005 112.495 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.06 -173.63 47.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.783 -0.722 . . . . 62.020000000000003 112.498 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 5.7 p -169.57 145.39 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 73.120000000000005 111.165 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 65.010000000000005 111.16 179.922 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.814 0.34 . . . . 74.540000000000006 110.901 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.05 79.76 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.510000000000005 111.113 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -51.0 -53.26 34.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 75.019999999999996 110.908 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -136.29 115.6 12.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 72.209999999999994 110.89 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.54 108.97 14.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 74.129999999999995 110.862 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -110.02 112.71 24.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 74.349999999999994 110.839 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -121.59 101.37 7.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 73.239999999999995 110.833 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 8' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' H' ' 8' ' ' SER . 2.8 p -152.76 176.32 11.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 65.400000000000006 110.832 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.49 -3.9 46.8 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.692 -0.766 . . . . 54.32 112.463 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.44 115.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 75.230000000000004 110.913 -179.799 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -107.46 118.28 36.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 75.319999999999993 110.892 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 19.1 m -132.17 132.31 60.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 72.340000000000003 111.131 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -129.83 118.59 22.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 64.319999999999993 110.796 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -126.15 119.94 28.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 71.420000000000002 110.869 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -122.88 133.09 54.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 74.109999999999999 110.948 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -125.19 115.7 20.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 74.150000000000006 110.904 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -122.21 109.62 14.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 72.099999999999994 110.905 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 34.9 m -119.68 122.13 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 74.530000000000001 111.148 179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -115.18 131.09 57.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 74.120000000000005 110.916 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 62.59 65.5 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 72.530000000000001 110.877 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.65 113.1 26.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 75.329999999999998 111.153 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 64.81 110.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 73.040000000000006 110.852 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 p -151.42 133.48 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 74.329999999999998 111.103 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.38 -72.35 0.71 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 55.530000000000001 112.493 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -143.94 124.06 13.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 74.409999999999997 110.836 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -99.6 114.71 27.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 75.439999999999998 110.929 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -114.33 167.72 10.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 74.239999999999995 110.885 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . 0.42 ' HA2' ' CA ' ' B' ' 3' ' ' GLU . . . 50.61 -149.48 6.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.809 -0.71 . . . . 73.400000000000006 112.441 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.33 114.37 23.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.769 0.319 . . . . 75.450000000000003 111.088 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -123.36 127.42 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 71.349999999999994 111.147 179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mp -128.02 119.14 50.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 74.310000000000002 111.167 179.868 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.8 -29.45 20.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 73.019999999999996 112.467 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . . . . . . . . . 2.7 tm? -152.96 107.96 3.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.826 0.346 . . . . 73.530000000000001 110.912 -179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 2.8 ttp -124.02 125.2 44.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 63.450000000000003 110.855 179.842 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 39.6 t -115.04 111.12 34.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 73.140000000000001 111.14 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.81 25.2 29.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 64.310000000000002 112.473 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.49 -173.37 47.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 75.209999999999994 112.483 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 p -169.55 145.17 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 73.310000000000002 111.173 -179.983 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 73.150000000000006 111.184 179.906 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.816 0.341 . . . . 73.340000000000003 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.75 79.19 1.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 64.129999999999995 111.112 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -51.49 -53.64 35.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 72.129999999999995 110.854 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -136.78 115.56 12.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 74.420000000000002 110.846 -179.892 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.57 109.01 14.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 72.430000000000007 110.881 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -110.68 111.74 23.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 74.040000000000006 110.857 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -119.99 101.53 7.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 70.040000000000006 110.813 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 8' ' ' SER . . . . . 0.43 ' O ' ' HA ' ' I' ' 8' ' ' SER . 2.7 p -153.05 176.06 12.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 72.409999999999997 110.86 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.09 -4.25 44.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.763 -0.732 . . . . 44.130000000000003 112.504 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.41 115.68 0.32 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 75.519999999999996 110.907 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -108.26 119.15 38.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 73.540000000000006 110.882 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 18.7 m -131.44 132.58 62.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 75.219999999999999 111.129 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -130.2 118.65 21.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 75.310000000000002 110.867 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -125.41 120.32 30.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 72.349999999999994 110.87 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -123.55 132.94 54.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 72.109999999999999 110.9 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 tptm -124.82 115.78 21.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 73.450000000000003 110.903 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -122.81 109.98 14.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 74.150000000000006 110.922 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 34.6 m -120.53 123.02 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 71.230000000000004 111.16 179.791 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -114.28 130.31 56.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 73.109999999999999 110.859 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 62.08 66.49 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 64.310000000000002 110.906 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.54 113.75 27.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 75.239999999999995 111.091 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 64.6 109.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 74.340000000000003 110.848 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 p -151.52 133.02 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 73.239999999999995 111.131 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.55 -71.84 0.8 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 63.149999999999999 112.472 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -144.23 123.59 13.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.899 0.381 . . . . 64.209999999999994 110.844 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -98.71 114.73 27.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 72.310000000000002 110.856 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -114.4 167.41 10.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 75.019999999999996 110.902 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . 0.43 ' HA2' ' CA ' ' C' ' 3' ' ' GLU . . . 50.8 -149.46 6.84 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 74.120000000000005 112.508 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.76 114.55 23.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.754 0.312 . . . . 70.120000000000005 111.068 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -123.84 126.18 72.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 73.299999999999997 111.137 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mp -128.23 117.66 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 72.319999999999993 111.139 179.843 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.39 -28.4 22.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 53.439999999999998 112.545 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . . . . . . . . . 2.9 tm? -151.08 107.49 3.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.347 . . . . 73.450000000000003 110.881 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 2.9 ttp -124.76 123.98 41.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 72.450000000000003 110.861 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 39.5 t -114.34 111.08 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 75.439999999999998 111.121 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.69 25.59 22.34 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.779 -0.724 . . . . 61.310000000000002 112.494 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.33 -172.95 47.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 44.140000000000001 112.474 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 4.5 p -169.58 145.01 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.844 0.354 . . . . 71.219999999999999 111.177 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 22.4 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 74.230000000000004 111.11 179.949 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.804 0.335 . . . . 74.340000000000003 110.894 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.41 78.75 1.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 75.430000000000007 111.135 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -51.74 -53.56 38.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 54.32 110.913 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -136.43 115.39 12.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 73.140000000000001 110.827 -179.926 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.22 108.92 14.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 75.239999999999995 110.867 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -111.27 111.33 22.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 65.200000000000003 110.866 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -119.05 101.52 8.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 73.230000000000004 110.864 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 8' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' H' ' 8' ' ' SER . 2.7 p -153.36 174.75 13.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 73.140000000000001 110.87 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.33 -3.89 44.11 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 71.150000000000006 112.477 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.2 115.15 0.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.853 0.358 . . . . 73.549999999999997 110.913 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -109.59 120.09 41.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 73.519999999999996 110.919 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 19.7 m -131.2 132.45 63.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 72.239999999999995 111.107 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -130.54 117.6 19.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 74.140000000000001 110.866 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -123.64 121.15 34.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 72.239999999999995 110.886 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -124.1 133.28 53.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 73.010000000000005 110.885 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 tptm -124.55 115.9 21.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 74.409999999999997 110.905 179.918 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -123.69 110.32 14.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 73.219999999999999 110.955 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 34.9 m -120.84 123.66 70.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 72.549999999999997 111.087 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -112.88 129.0 56.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 75.040000000000006 110.877 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 61.63 67.54 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 64.109999999999999 110.906 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.48 114.61 28.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 72.239999999999995 111.073 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 64.37 109.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 74.519999999999996 110.854 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 7.0 p -151.75 132.86 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 71.409999999999997 111.181 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.43 -70.89 0.98 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.749 -0.739 . . . . 73.030000000000001 112.511 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -144.63 123.27 12.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 74.420000000000002 110.828 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -98.17 114.31 26.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 70.0 110.901 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -114.41 167.34 10.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 65.040000000000006 110.902 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . 0.433 ' HA2' ' CA ' ' D' ' 3' ' ' GLU . . . 51.09 -149.59 7.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 73.439999999999998 112.538 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.23 113.83 23.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.819 0.342 . . . . 75.310000000000002 111.054 -179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -123.7 125.84 71.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 73.549999999999997 111.146 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mp -128.28 117.58 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 70.200000000000003 111.162 179.844 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.52 -27.6 21.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 74.230000000000004 112.479 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -149.82 106.35 3.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 74.129999999999995 110.947 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.9 ttp -123.78 123.26 40.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 71.420000000000002 110.854 179.881 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 39.6 t -115.09 110.29 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 74.409999999999997 111.125 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.37 25.52 19.83 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 71.420000000000002 112.524 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.01 -172.48 46.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 62.439999999999998 112.478 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 4.5 p -169.53 145.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.912 0.387 . . . . 74.219999999999999 111.152 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 21.9 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 73.519999999999996 111.125 179.934 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.824 0.345 . . . . 74.310000000000002 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.58 78.92 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 63.43 111.092 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -51.82 -53.67 37.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 72.319999999999993 110.894 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -135.67 115.63 13.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 75.120000000000005 110.887 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.79 108.54 14.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 74.219999999999999 110.871 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -111.41 111.82 23.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 63.439999999999998 110.83 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -117.91 101.11 8.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 53.399999999999999 110.861 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -155.6 169.17 24.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 74.200000000000003 110.885 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.8 -2.84 46.25 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 74.430000000000007 112.455 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -169.69 111.86 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.894 0.378 . . . . 73.409999999999997 110.895 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -112.21 120.07 40.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 74.540000000000006 110.868 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 m -130.22 132.84 64.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 73.310000000000002 111.135 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -129.81 116.71 19.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 72.109999999999999 110.811 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -121.59 121.33 37.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 74.340000000000003 110.808 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -123.98 134.28 53.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 73.140000000000001 110.901 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 12.2 tptm -124.77 115.44 20.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 74.340000000000003 110.928 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -124.31 108.92 12.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 72.319999999999993 110.915 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 m -119.05 124.06 72.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 74.510000000000005 111.142 179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -111.6 127.5 55.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 74.140000000000001 110.866 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 60.47 68.56 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 74.540000000000006 110.917 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.85 115.33 30.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 74.129999999999995 111.145 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 64.23 108.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 74.299999999999997 110.867 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -151.6 132.56 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.120000000000005 111.143 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.5 -71.18 0.93 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 72.0 112.467 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -143.78 122.86 12.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.38 . . . . 74.409999999999997 110.865 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 2.3 m120 -98.08 113.15 24.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 72.140000000000001 110.915 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -114.51 167.14 10.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 72.439999999999998 110.921 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . 0.438 ' HA2' ' CA ' ' E' ' 3' ' ' GLU . . . 51.66 -149.27 8.63 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 73.310000000000002 112.462 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.49 113.42 23.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.307 . . . . 71.230000000000004 111.136 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -123.23 126.5 73.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 73.450000000000003 111.117 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mp -130.15 116.32 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 74.409999999999997 111.104 179.86 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.03 -24.48 27.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 55.210000000000001 112.445 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . . . . . . . . . 3.4 tm? -150.75 106.05 3.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.822 0.344 . . . . 74.420000000000002 110.957 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 2.9 ttp -124.96 124.27 41.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 72.239999999999995 110.841 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 38.4 t -118.05 109.82 28.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 74.409999999999997 111.125 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.63 24.75 26.15 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 64.420000000000002 112.514 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.7 -173.35 45.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 51.210000000000001 112.527 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 p -169.56 145.02 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 73.040000000000006 111.101 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 22.6 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 74.519999999999996 111.146 179.925 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.796 0.331 . . . . 70.209999999999994 110.862 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.09 86.66 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 74.129999999999995 111.103 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.74 -30.13 30.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 74.519999999999996 110.953 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -161.39 114.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 73.409999999999997 110.886 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -135.6 108.99 7.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 74.400000000000006 110.885 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -109.46 128.82 55.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 72.430000000000007 110.82 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -133.43 101.95 5.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 74.450000000000003 110.883 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.4 t -147.61 176.68 9.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 74.219999999999999 110.879 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.33 -10.07 56.2 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.749 . . . . 64.329999999999998 112.497 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -172.47 116.91 0.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 75.510000000000005 110.942 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -102.12 119.02 38.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 70.549999999999997 110.882 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -139.4 118.56 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 75.209999999999994 111.108 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -117.11 114.09 23.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 71.230000000000004 110.846 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -119.34 122.62 42.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 74.030000000000001 110.867 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.31 134.36 46.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 72.450000000000003 110.88 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -132.49 119.59 20.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 75.030000000000001 110.885 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -121.39 110.49 16.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 73.239999999999995 110.91 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 88.1 t -113.48 112.21 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 75.450000000000003 111.134 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -104.85 105.03 14.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 73.230000000000004 110.863 -179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 64.14 89.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 70.150000000000006 110.924 -179.919 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.15 132.21 56.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.492 . . . . 74.219999999999999 111.066 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 62.37 90.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 74.200000000000003 110.881 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 p -129.38 130.7 67.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 72.040000000000006 111.138 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.68 -53.1 48.13 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 72.340000000000003 112.5 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.71 129.93 6.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.868 0.366 . . . . 71.340000000000003 110.873 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -95.97 106.94 19.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 74.239999999999995 110.856 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -114.67 135.79 53.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 75.400000000000006 110.908 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.78 -149.76 38.6 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 73.430000000000007 112.512 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.83 114.3 21.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.749 0.309 . . . . 70.150000000000006 111.127 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 5.4 mm -126.87 114.86 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 74.340000000000003 111.15 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mt -134.68 121.23 34.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 74.420000000000002 111.113 179.87 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.65 -44.15 68.84 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 75.200000000000003 112.508 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.535 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -173.49 148.86 1.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 71.299999999999997 110.94 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 59.6 mtp -128.14 123.46 34.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 72.099999999999994 110.886 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 99.9 t -118.38 114.66 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 74.540000000000006 111.117 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.29 19.81 62.38 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 53.119999999999997 112.521 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.75 -162.84 29.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 71.120000000000005 112.483 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.6 p -169.26 136.83 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 75.420000000000002 111.126 -179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 74.109999999999999 111.171 179.895 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.764 0.316 . . . . 63.409999999999997 110.881 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.47 86.92 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 63.299999999999997 111.074 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.34 -29.14 22.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.209999999999994 110.897 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -161.8 114.94 1.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 75.200000000000003 110.88 -179.968 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -134.57 108.61 8.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 73.129999999999995 110.861 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -109.13 128.43 55.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 65.120000000000005 110.828 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -132.69 101.77 5.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 74.530000000000001 110.917 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 2.5 t -147.44 176.02 10.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 61.340000000000003 110.858 -179.723 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.49 -10.45 55.63 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 72.230000000000004 112.534 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -172.37 115.07 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 72.510000000000005 110.901 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -101.31 118.63 37.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 70.209999999999994 110.842 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 3.4 p -138.33 116.97 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 72.230000000000004 111.125 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -115.72 113.56 23.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 75.219999999999999 110.897 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -118.47 123.04 44.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 75.430000000000007 110.873 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.0 133.26 45.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 73.219999999999999 110.871 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 7.6 tptm -127.16 122.11 33.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 72.319999999999993 110.904 179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -121.35 108.8 14.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 72.420000000000002 110.938 179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 91.5 t -112.3 113.3 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 71.129999999999995 111.091 179.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -108.73 100.94 10.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 75.430000000000007 110.888 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 63.92 89.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 71.420000000000002 110.868 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.53 131.37 56.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 72.549999999999997 111.146 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 61.85 90.78 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 64.010000000000005 110.947 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 5.7 p -128.62 130.89 69.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 73.049999999999997 111.174 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.94 -53.02 48.61 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.73 -0.748 . . . . 62.240000000000002 112.489 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.35 130.45 6.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 71.140000000000001 110.881 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -96.63 106.07 18.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 72.010000000000005 110.948 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -115.1 136.43 53.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 75.310000000000002 110.895 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.59 -149.29 36.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 70.430000000000007 112.496 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.26 114.4 21.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.725 0.297 . . . . 71.239999999999995 111.066 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 5.0 mm -127.26 116.56 44.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 74.349999999999994 111.138 179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 mt -134.3 124.02 44.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 70.299999999999997 111.097 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.56 -42.8 77.54 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 60.030000000000001 112.529 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.54 ' N ' ' CD1' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -172.05 150.38 2.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.825 0.345 . . . . 71.329999999999998 110.936 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 50.2 mtp -127.7 124.46 37.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 75.549999999999997 110.872 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 98.3 t -126.78 112.83 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 73.420000000000002 111.082 -179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.27 19.12 59.25 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 75.340000000000003 112.507 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.17 -163.89 29.74 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.724 -0.751 . . . . 73.129999999999995 112.446 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 7.6 p -169.19 133.33 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 72.120000000000005 111.133 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.9 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 75.109999999999999 111.095 179.963 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.789 0.328 . . . . 74.310000000000002 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.95 86.48 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 33.43 111.129 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.63 -29.2 24.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 75.540000000000006 110.891 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -162.0 114.7 1.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 64.109999999999999 110.889 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -134.0 108.55 8.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 74.420000000000002 110.908 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -109.61 128.12 55.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 72.040000000000006 110.894 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -132.39 101.71 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 73.420000000000002 110.875 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 2.6 t -147.35 175.5 10.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 72.230000000000004 110.838 -179.765 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.85 -9.98 55.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 61.130000000000003 112.508 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -172.41 115.38 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.859 0.362 . . . . 74.430000000000007 110.914 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -101.86 119.28 38.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 71.099999999999994 110.926 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 3.8 p -138.09 117.67 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 75.010000000000005 111.126 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -116.4 113.44 22.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 73.109999999999999 110.823 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -117.81 123.72 46.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 74.439999999999998 110.851 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.29 132.98 44.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 71.349999999999994 110.898 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -124.94 122.38 37.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 74.109999999999999 110.873 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -122.9 106.6 11.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 71.420000000000002 110.919 179.89 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 91.3 t -111.83 113.46 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 73.340000000000003 111.117 179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -108.37 99.52 8.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 72.430000000000007 110.91 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 63.63 90.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 74.299999999999997 110.891 -179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.07 130.69 56.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 75.219999999999999 111.105 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 62.03 90.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 61.009999999999998 110.853 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 p -128.18 131.22 69.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 74.010000000000005 111.145 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.4 -52.89 48.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 71.439999999999998 112.51 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.41 130.77 6.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.868 0.366 . . . . 74.200000000000003 110.874 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 19.2 m120 -96.74 105.61 17.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 73.409999999999997 110.906 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -115.21 136.67 52.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 75.530000000000001 110.887 179.909 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.02 -149.85 36.63 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.702 -0.761 . . . . 74.099999999999994 112.542 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.39 114.33 21.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.755 0.312 . . . . 70.030000000000001 111.101 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 4.6 mm -127.4 116.88 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 75.310000000000002 111.142 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 mt -133.24 124.05 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 74.200000000000003 111.137 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.54 -42.51 76.4 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 74.230000000000004 112.519 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.554 ' CD1' ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -170.53 150.39 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 72.349999999999994 110.889 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 48.5 mtp -126.97 123.67 37.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 73.420000000000002 110.89 179.778 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 85.8 t -127.9 113.0 29.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 72.439999999999998 111.107 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.7 20.58 40.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 74.099999999999994 112.522 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.36 -164.6 32.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.785 -0.721 . . . . 74.329999999999998 112.544 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 7.6 p -168.64 133.38 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 73.420000000000002 111.152 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 17.1 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 73.120000000000005 111.142 179.917 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.86 0.362 . . . . 71.040000000000006 110.895 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.53 85.69 2.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 73.099999999999994 111.065 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.04 -28.99 27.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 74.049999999999997 110.881 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -162.08 114.75 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 75.540000000000006 110.867 -179.898 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -133.84 108.77 8.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 74.019999999999996 110.896 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -110.55 128.02 55.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 74.450000000000003 110.819 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -131.75 101.95 5.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 64.219999999999999 110.858 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 2.5 t -147.98 174.44 11.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 70.010000000000005 110.878 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.66 -9.63 54.42 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 73.420000000000002 112.5 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -172.1 114.61 0.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.853 0.358 . . . . 75.239999999999995 110.931 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -102.66 119.67 39.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 75.299999999999997 110.867 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 4.3 p -137.33 117.95 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 72.140000000000001 111.138 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -116.45 113.83 23.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 74.150000000000006 110.883 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -117.5 124.1 47.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 71.549999999999997 110.83 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.25 133.25 45.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 74.040000000000006 110.895 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -124.31 120.72 32.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 74.409999999999997 110.944 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -124.01 105.51 9.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.42 . . . . 74.340000000000003 110.95 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 84.2 t -111.68 114.39 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 74.299999999999997 111.149 179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 -106.46 98.05 7.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 63.130000000000003 110.914 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 63.8 91.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 74.109999999999999 110.869 -179.907 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.1 131.2 56.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 75.219999999999999 111.113 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 62.22 90.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 74.219999999999999 110.873 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 5.8 p -129.02 131.33 68.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 74.540000000000006 111.082 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.8 -53.08 46.14 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 34.43 112.488 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.31 130.9 7.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 72.400000000000006 110.854 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 m120 -95.77 105.96 18.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 74.450000000000003 110.86 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -116.05 136.65 52.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 73.219999999999999 110.896 179.895 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.39 -149.42 35.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 73.230000000000004 112.505 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.76 114.62 21.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.802 0.335 . . . . 54.530000000000001 111.064 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 4.3 mm -127.14 117.71 48.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 72.540000000000006 111.1 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mt -132.09 126.53 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 75.540000000000006 111.135 179.873 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.12 -42.12 95.0 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.734 -0.746 . . . . 74.400000000000006 112.464 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.504 ' N ' ' CD1' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -170.66 146.61 2.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 74.200000000000003 110.932 -179.888 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 50.9 mtp -124.37 122.14 36.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 73.340000000000003 110.858 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 96.1 t -128.73 111.6 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 72.319999999999993 111.116 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.68 20.94 41.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 75.519999999999996 112.486 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.08 -164.34 31.13 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 74.109999999999999 112.501 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 7.3 p -168.93 135.85 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.879 0.371 . . . . 71.25 111.141 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 18.1 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 71.349999999999994 111.105 179.925 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.812 0.339 . . . . 71.439999999999998 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.6 86.9 2.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 72.129999999999995 111.136 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.51 -29.26 24.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 64.230000000000004 110.934 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -160.71 115.25 2.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 75.140000000000001 110.812 -179.945 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -133.55 108.08 8.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 71.200000000000003 110.881 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -111.15 128.25 55.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 74.209999999999994 110.827 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -130.44 101.57 5.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 75.329999999999998 110.875 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 2.4 t -147.9 169.83 18.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 73.319999999999993 110.844 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.4 -8.99 57.17 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.786 -0.721 . . . . 61.530000000000001 112.443 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -170.6 111.64 0.39 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.87 0.367 . . . . 75.150000000000006 110.924 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -103.45 119.7 39.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 74.030000000000001 110.874 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 4.5 p -137.29 118.73 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 75.409999999999997 111.126 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -116.38 113.49 22.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 72.299999999999997 110.832 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -116.42 125.52 52.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 72.25 110.896 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.51 134.89 46.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 73.409999999999997 110.92 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -124.26 119.83 30.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 73.430000000000007 110.9 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -126.01 106.91 9.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 75.340000000000003 110.887 179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 87.3 t -112.06 118.4 57.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 74.120000000000005 111.145 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -106.59 95.91 6.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 74.200000000000003 110.861 -179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 62.98 91.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 72.319999999999993 110.908 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.55 132.09 56.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 74.540000000000006 111.122 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 61.63 91.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 73.049999999999997 110.88 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 p -129.91 130.53 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 74.540000000000006 111.107 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.55 -52.57 47.94 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.656 -0.783 . . . . 55.530000000000001 112.511 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.39 131.78 7.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 61.32 110.87 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 21.5 m120 -95.55 103.88 15.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 74.040000000000006 110.83 -179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -116.09 137.48 52.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 75.25 110.896 179.849 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.56 -149.64 33.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 73.109999999999999 112.511 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.59 115.03 21.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 64.150000000000006 111.079 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 4.0 mm -124.48 116.83 48.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 75.540000000000006 111.1 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 mt -125.91 122.28 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 74.230000000000004 111.123 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.31 -36.68 91.54 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.748 -0.739 . . . . 74.200000000000003 112.451 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.515 ' N ' ' CD1' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -171.06 148.02 2.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.792 0.33 . . . . 75.230000000000004 110.944 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 58.5 mtp -128.0 119.9 26.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 73.510000000000005 110.881 179.838 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 98.4 t -133.63 109.79 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 64.239999999999995 111.107 -179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.68 21.79 16.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.699 -0.763 . . . . 73.310000000000002 112.48 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.53 -163.96 30.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 74.340000000000003 112.519 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -169.22 136.26 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.904 0.383 . . . . 71.409999999999997 111.124 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 17.5 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 73.049999999999997 111.118 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.821 0.343 . . . . 72.049999999999997 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.81 86.92 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 75.340000000000003 111.099 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.51 -30.08 28.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 75.219999999999999 110.895 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.03 115.23 2.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 65.329999999999998 110.863 -179.951 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -135.37 108.97 7.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 73.209999999999994 110.898 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -109.63 128.42 55.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 75.230000000000004 110.888 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -133.23 102.03 5.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 65.129999999999995 110.884 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 2.5 t -147.09 176.37 9.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 75.310000000000002 110.869 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.01 -10.17 56.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 65.099999999999994 112.507 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -172.37 117.48 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 74.140000000000001 110.882 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -102.2 118.88 37.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.063 -0.517 . . . . 75.439999999999998 110.888 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 4.4 p -139.67 119.18 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 73.349999999999994 111.175 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 65.3 m170 -117.13 114.85 24.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 70.099999999999994 110.897 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -118.71 122.44 42.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 73.239999999999995 110.878 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.09 133.15 44.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 72.219999999999999 110.941 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -132.98 119.27 19.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 70.5 110.861 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -121.72 111.27 16.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 71.310000000000002 110.972 179.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 89.0 t -114.37 112.03 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 63.219999999999999 111.162 179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 -103.98 105.23 15.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 74.530000000000001 110.872 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 64.28 88.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 71.329999999999998 110.894 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.75 132.0 56.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 64.25 111.126 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 62.78 90.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 75.430000000000007 110.863 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 p -129.49 130.72 67.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 71.329999999999998 111.139 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.78 -52.93 49.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 35.240000000000002 112.505 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.5 129.68 6.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.895 0.379 . . . . 74.230000000000004 110.826 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -96.03 105.92 18.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.400000000000006 110.911 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -114.25 136.53 52.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 75.530000000000001 110.897 179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.82 -151.08 40.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.726 . . . . 74.140000000000001 112.518 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.5 114.05 21.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 73.540000000000006 111.089 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 5.3 mm -126.23 116.22 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 74.209999999999994 111.106 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 mt -135.09 120.68 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 74.129999999999995 111.128 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.33 -44.51 65.56 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 65.140000000000001 112.505 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.532 ' N ' ' CD1' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -173.79 148.71 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.8 0.333 . . . . 75.099999999999994 110.916 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 58.5 mtp -127.68 123.52 35.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 55.140000000000001 110.893 179.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 94.5 t -119.02 115.28 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 71.420000000000002 111.151 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.01 19.26 61.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 72.420000000000002 112.449 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.07 -162.54 29.68 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 75.019999999999996 112.441 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -169.23 137.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 73.439999999999998 111.139 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 64.349999999999994 111.1 179.921 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.823 0.344 . . . . 74.230000000000004 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.56 87.07 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 73.019999999999996 111.12 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -51.99 -29.59 21.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 72.319999999999993 110.843 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -161.83 115.44 1.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 71.430000000000007 110.844 -179.868 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -134.36 108.66 8.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 74.319999999999993 110.874 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -108.9 128.3 54.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 74.239999999999995 110.874 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -132.55 101.82 5.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 75.010000000000005 110.855 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 2.5 t -147.5 176.01 10.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 75.329999999999998 110.843 -179.803 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.8 -10.58 55.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.75 . . . . 73.409999999999997 112.541 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -172.34 115.25 0.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.821 0.344 . . . . 75.140000000000001 110.95 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -101.44 118.62 37.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 74.540000000000006 110.87 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 p -138.16 117.83 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 72.530000000000001 111.078 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -116.07 114.9 25.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 70.140000000000001 110.876 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -118.96 121.91 41.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 75.420000000000002 110.856 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.75 133.02 45.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 72.349999999999994 110.926 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -128.45 121.79 29.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 71.530000000000001 110.908 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -120.93 109.23 14.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 72.219999999999999 110.874 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 91.4 t -112.28 113.7 44.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 75.219999999999999 111.124 179.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -108.79 100.92 10.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 74.430000000000007 110.882 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 64.07 89.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 74.200000000000003 110.877 -179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.62 131.73 56.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 73.319999999999993 111.105 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 62.38 90.29 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 74.209999999999994 110.923 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 5.7 p -128.85 130.91 68.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 73.319999999999993 111.13 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.27 -52.64 50.43 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 51.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.51 130.21 6.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.911 0.386 . . . . 73.540000000000006 110.859 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -96.42 105.14 17.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.420000000000002 110.886 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -114.43 137.23 52.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 72.230000000000004 110.89 179.921 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.38 -150.33 38.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 72.230000000000004 112.482 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.74 114.41 21.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.696 0.284 . . . . 62.140000000000001 111.097 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 4.9 mm -127.02 117.93 48.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 73.200000000000003 111.091 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 mt -134.89 123.07 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 71.409999999999997 111.119 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.85 -43.25 70.6 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.76 -0.734 . . . . 72.140000000000001 112.519 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.552 ' N ' ' CD1' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -172.29 150.79 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 72.310000000000002 110.902 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 49.3 mtp -128.01 123.97 36.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 63.219999999999999 110.852 179.815 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 99.5 t -125.69 112.7 31.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 71.510000000000005 111.133 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.44 19.7 58.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 75.409999999999997 112.47 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.38 -163.9 30.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.696 -0.764 . . . . 33.229999999999997 112.533 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -169.43 134.32 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.896 0.379 . . . . 74.209999999999994 111.107 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 73.239999999999995 111.157 179.889 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.788 0.328 . . . . 72.120000000000005 110.882 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.84 86.66 2.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 71.310000000000002 111.065 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -51.77 -30.12 21.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 74.230000000000004 110.886 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -161.26 115.39 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 74.540000000000006 110.913 -179.887 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -133.9 108.63 8.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 73.420000000000002 110.853 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -109.34 127.76 54.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 75.209999999999994 110.846 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -131.96 101.81 5.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 71.400000000000006 110.859 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 2.5 t -147.42 175.66 10.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 75.049999999999997 110.865 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.31 -10.31 54.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 44.130000000000003 112.508 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -172.22 115.15 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 71.209999999999994 110.875 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -101.85 119.05 38.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 75.340000000000003 110.895 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 3.9 p -137.8 117.74 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 74.140000000000001 111.088 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -116.07 114.43 24.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 71.420000000000002 110.839 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -118.01 123.0 44.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 74.340000000000003 110.921 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.04 133.14 45.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 74.150000000000006 110.883 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -126.08 121.61 33.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 72.200000000000003 110.942 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -122.1 106.37 11.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 74.420000000000002 110.905 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 92.1 t -111.48 114.02 45.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 72.030000000000001 111.101 179.867 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -108.77 99.62 8.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 72.010000000000005 110.868 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER 63.72 89.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 74.430000000000007 110.875 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.57 130.8 57.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 73.010000000000005 111.096 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 62.07 90.45 0.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 74.409999999999997 110.846 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 p -128.24 130.86 69.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 72.400000000000006 111.164 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.04 -52.88 49.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 62.229999999999997 112.499 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.52 130.11 6.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 65.349999999999994 110.839 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 18.4 m120 -96.33 105.2 17.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 72.019999999999996 110.891 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -114.86 137.25 52.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 75.140000000000001 110.846 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.93 -150.55 37.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 71.329999999999998 112.512 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.48 114.15 21.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.744 0.307 . . . . 73.219999999999999 111.069 -179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 4.6 mm -126.88 117.99 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 75.010000000000005 111.113 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 mt -133.6 123.72 46.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 55.109999999999999 111.155 179.829 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.39 -42.7 75.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.753 . . . . 62.439999999999998 112.472 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . 0.551 ' CD1' ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -170.88 149.93 3.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.787 0.327 . . . . 75.120000000000005 110.923 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 49.4 mtp -126.93 123.23 36.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 74.129999999999995 110.869 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 99.0 t -128.74 112.82 27.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 74.340000000000003 111.098 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.36 19.86 48.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.683 -0.77 . . . . 61.240000000000002 112.51 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.72 -164.63 31.63 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 31.120000000000001 112.472 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -169.2 133.81 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.862 0.363 . . . . 75.540000000000006 111.12 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 18.9 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 72.109999999999999 111.151 179.898 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.821 0.343 . . . . 75.329999999999998 110.855 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.68 86.73 2.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 75.049999999999997 111.134 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.1 -29.59 22.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 75.439999999999998 110.861 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -161.8 115.29 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 75.209999999999994 110.86 -179.92 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -133.88 108.67 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 75.450000000000003 110.844 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -110.05 127.94 55.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 73.310000000000002 110.877 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -131.88 102.0 5.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 72.329999999999998 110.886 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 2.5 t -147.68 174.49 11.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 73.140000000000001 110.871 -179.754 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.87 -9.42 54.33 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.723 -0.751 . . . . 72.25 112.445 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -172.15 114.38 0.32 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.807 0.336 . . . . 75.109999999999999 110.978 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -102.36 119.54 38.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 71.319999999999993 110.875 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 4.3 p -137.59 117.95 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 70.329999999999998 111.122 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -116.29 114.44 24.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 73.329999999999998 110.876 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -117.75 123.78 46.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 70.219999999999999 110.855 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.24 133.05 45.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 74.310000000000002 110.93 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 8.1 tptm -124.41 120.54 32.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 72.219999999999999 110.927 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -123.85 105.59 9.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 75.329999999999998 110.932 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 85.4 t -111.98 114.6 47.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 65.319999999999993 111.144 179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 4.5 m-85 -106.54 97.98 7.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 75.450000000000003 110.832 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER 63.76 91.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 74.329999999999998 110.902 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.93 131.04 57.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 70.010000000000005 111.124 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 62.34 90.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 73.319999999999993 110.844 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 p -129.1 130.97 68.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 73.120000000000005 111.088 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.08 -53.24 46.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 65.540000000000006 112.496 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.17 130.12 6.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.816 0.341 . . . . 74.150000000000006 110.853 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 18.5 m120 -95.63 105.09 17.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 72.040000000000006 110.866 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -115.49 137.34 52.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 73.5 110.887 179.902 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.48 -150.64 36.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.717 -0.754 . . . . 73.019999999999996 112.495 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.37 114.48 21.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.797 0.332 . . . . 73.450000000000003 111.068 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 4.6 mm -126.72 118.83 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 74.109999999999999 111.12 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mt -132.37 125.39 53.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 74.150000000000006 111.125 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.04 -42.24 92.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 60.310000000000002 112.494 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . 0.525 ' N ' ' CD1' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -170.67 147.58 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.342 . . . . 72.409999999999997 110.941 -179.909 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 50.6 mtp -125.96 122.12 35.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 74.25 110.878 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 96.8 t -129.46 111.53 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 72.120000000000005 111.163 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.02 20.32 41.42 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.781 -0.723 . . . . 72.409999999999997 112.514 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.03 -164.12 32.39 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 52.450000000000003 112.473 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 7.6 p -169.06 136.15 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 75.230000000000004 111.132 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 19.1 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 73.120000000000005 111.121 179.906 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.82 0.343 . . . . 72.140000000000001 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.69 86.99 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 70.209999999999994 111.1 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -51.94 -29.96 22.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 71.299999999999997 110.889 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -161.07 115.14 2.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 74.010000000000005 110.893 -179.929 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -133.27 108.53 8.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 75.409999999999997 110.897 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -110.85 127.41 55.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 72.200000000000003 110.815 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -130.03 101.65 5.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 74.409999999999997 110.908 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 2.4 t -148.33 169.63 19.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 74.299999999999997 110.841 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.42 -8.75 57.29 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.759 -0.734 . . . . 75.219999999999999 112.49 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -170.79 112.0 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 75.329999999999998 110.911 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -103.17 119.86 39.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 75.120000000000005 110.872 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 4.6 p -136.71 119.23 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 74.230000000000004 111.105 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 63.7 m170 -116.28 113.81 23.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 75.340000000000003 110.866 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -117.06 124.93 50.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 75.450000000000003 110.856 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.08 134.51 45.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 75.010000000000005 110.887 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -124.47 119.84 30.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 75.25 110.939 179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -126.09 106.77 9.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 70.420000000000002 110.895 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 91.1 t -112.42 118.11 56.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 74.129999999999995 111.148 179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 4.1 m-85 -106.23 96.1 6.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.481 . . . . 74.209999999999994 110.886 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER 63.06 91.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 72.439999999999998 110.891 -179.917 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.1 132.61 56.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 73.430000000000007 111.065 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 61.67 90.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 70.409999999999997 110.897 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 p -130.45 130.37 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 73.319999999999993 111.126 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.42 -52.31 50.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 74.329999999999998 112.459 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.49 131.29 7.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 75.430000000000007 110.906 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 21.2 m120 -95.92 103.21 15.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 73.349999999999994 110.898 -179.975 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -115.31 137.57 51.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 74.129999999999995 110.868 179.937 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.27 -150.34 33.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 72.239999999999995 112.489 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.45 114.27 21.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.771 0.319 . . . . 71.439999999999998 111.1 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 3.9 mm -124.25 117.32 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 73.439999999999998 111.161 179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -126.22 122.94 62.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 74.019999999999996 111.159 179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.51 -38.27 93.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 70.140000000000001 112.51 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . 0.496 ' N ' ' CD1' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -170.5 147.32 2.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 73.430000000000007 110.886 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 55.5 mtp -128.29 119.63 25.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 72.219999999999999 110.941 179.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 84.9 t -134.31 109.97 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 73.239999999999995 111.129 -180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 55.2 21.12 24.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 63.32 112.502 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.39 -162.15 31.57 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 71.219999999999999 112.501 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -169.18 137.49 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 75.450000000000003 111.114 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 74.540000000000006 111.121 179.928 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.809 0.338 . . . . 72.019999999999996 110.839 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.19 87.19 4.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 54.340000000000003 111.068 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -57.73 -24.32 56.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 73.510000000000005 110.894 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -167.22 114.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 72.230000000000004 110.829 -179.909 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -130.15 109.5 10.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 75.25 110.899 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -109.23 121.48 45.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 62.25 110.866 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -127.99 102.09 6.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 74.409999999999997 110.905 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -148.77 176.05 10.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 71.040000000000006 110.857 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.32 -10.43 38.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 70.150000000000006 112.515 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.39 114.6 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.349 . . . . 72.239999999999995 110.93 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -103.19 120.48 40.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 61.109999999999999 110.887 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 50.5 t -132.16 113.93 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 74.230000000000004 111.143 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 60.6 m170 -114.01 124.49 52.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 72.329999999999998 110.889 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -133.54 115.42 14.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 74.140000000000001 110.84 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -121.2 136.82 54.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 75.340000000000003 110.895 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -131.54 115.36 16.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 71.299999999999997 110.847 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -119.29 110.63 17.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 70.310000000000002 110.92 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.2 m -116.82 118.97 60.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 72.040000000000006 111.115 179.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.5 m-85 -106.31 106.9 17.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 74.230000000000004 110.909 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 58.99 65.6 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 75.420000000000002 110.914 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.53 138.02 32.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 52.020000000000003 111.091 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.67 77.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 75.099999999999994 110.874 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -112.55 139.43 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 73.099999999999994 111.117 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.29 -47.49 51.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 70.129999999999995 112.483 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.0 m -161.1 124.88 3.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.934 0.397 . . . . 74.340000000000003 110.824 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -108.5 102.44 11.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 75.129999999999995 110.858 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.56 162.27 16.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 72.109999999999999 110.872 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.12 -135.5 50.25 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 72.040000000000006 112.487 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.14 113.64 20.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.722 0.296 . . . . 70.329999999999998 111.118 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 mp -123.49 109.31 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 74.030000000000001 111.113 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.0 mt -137.64 116.17 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 74.430000000000007 111.114 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.18 -48.73 32.05 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.691 -0.766 . . . . 53.039999999999999 112.532 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.511 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -173.19 149.05 1.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 73.310000000000002 110.958 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.3 mtp -123.96 123.17 39.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 71.430000000000007 110.897 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 60.2 t -111.63 114.58 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 73.310000000000002 111.116 179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.95 23.62 46.75 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 74.140000000000001 112.467 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.32 -169.29 25.83 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.7 -0.762 . . . . 71.409999999999997 112.436 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.3 p -168.53 121.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 74.510000000000005 111.142 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 74.510000000000005 111.157 179.897 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.768 0.318 . . . . 74.409999999999997 110.861 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.7 87.05 4.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 61.310000000000002 111.095 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -57.05 -23.53 47.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 71.349999999999994 110.869 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -167.56 114.56 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 75.409999999999997 110.868 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -129.24 108.96 10.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 75.140000000000001 110.81 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -107.48 121.54 44.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 73.510000000000005 110.804 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -127.88 101.21 6.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 72.540000000000006 110.905 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -148.41 175.56 11.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 74.219999999999999 110.883 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.52 -10.24 38.88 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.777 -0.725 . . . . 45.210000000000001 112.486 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.29 114.21 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 75.120000000000005 110.913 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -102.61 120.11 39.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 72.109999999999999 110.863 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.5 t -131.57 114.01 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 71.409999999999997 111.114 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 60.1 m170 -114.91 123.6 49.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 75.510000000000005 110.861 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -133.43 116.75 16.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.169 -0.469 . . . . 74.349999999999994 110.834 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -122.82 135.88 54.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 63.039999999999999 110.923 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.78 116.27 19.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 73.430000000000007 110.891 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -121.21 110.3 16.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 73.349999999999994 110.903 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 27.1 m -118.52 119.45 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 72.25 111.099 179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.402 ' CD2' HD13 ' B' ' 34' ' ' LEU . 6.9 m-85 -106.63 110.19 22.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 73.209999999999994 110.854 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 59.58 63.6 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 70.329999999999998 110.927 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.61 137.74 32.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 62.210000000000001 111.05 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.13 77.28 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 75.230000000000004 110.86 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 p -113.23 137.57 45.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 70.519999999999996 111.098 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.51 -46.81 53.84 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.7 -0.762 . . . . 75.299999999999997 112.507 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 11.7 m -161.2 125.44 3.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.875 0.369 . . . . 52.020000000000003 110.862 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -107.47 102.25 11.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 71.019999999999996 110.842 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.0 162.09 17.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 65.239999999999995 110.864 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.5 -134.69 49.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.69 -0.767 . . . . 73.510000000000005 112.511 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.47 113.69 20.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 73.209999999999994 111.102 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 mp -123.54 109.43 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 73.409999999999997 111.137 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 16.8 mt -135.46 119.22 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 74.140000000000001 111.105 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.49 -47.86 43.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 74.420000000000002 112.486 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.531 ' N ' ' CD1' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -171.33 151.46 3.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.85 0.357 . . . . 74.430000000000007 110.915 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.3 ttp -123.16 123.74 41.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 74.519999999999996 110.892 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 78.4 t -119.96 111.07 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 72.319999999999993 111.099 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.88 24.45 49.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.732 . . . . 73.299999999999997 112.486 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.48 -169.3 24.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 74.150000000000006 112.511 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.3 p -167.93 120.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 75.200000000000003 111.169 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 17.6 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 74.209999999999994 111.148 179.911 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.833 0.349 . . . . 73.230000000000004 110.85 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.06 86.92 4.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 74.519999999999996 111.115 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -57.26 -23.6 49.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 75.239999999999995 110.897 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -167.94 114.77 0.71 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 75.239999999999995 110.897 -179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -129.25 108.97 10.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 74.549999999999997 110.882 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -107.74 120.91 43.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 74.530000000000001 110.831 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -127.3 101.39 6.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 54.530000000000001 110.846 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -148.46 175.54 11.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 74.129999999999995 110.849 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.75 -10.07 38.68 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 72.510000000000005 112.443 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.26 114.29 0.31 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.856 0.36 . . . . 74.329999999999998 110.934 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -102.51 120.1 39.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 74.349999999999994 110.91 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 48.5 t -131.64 114.28 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 74.0 111.165 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -115.32 123.41 48.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 74.109999999999999 110.869 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -133.01 117.4 17.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 73.430000000000007 110.888 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -123.58 135.71 54.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 74.209999999999994 110.913 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -125.94 116.91 22.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 74.400000000000006 110.89 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -123.47 109.63 14.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 72.120000000000005 110.891 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 27.8 m -119.14 119.55 61.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 74.319999999999993 111.14 179.867 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . 0.419 ' CD2' HD13 ' C' ' 34' ' ' LEU . 4.7 m-85 -106.22 109.85 21.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 75.140000000000001 110.856 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 59.65 63.59 1.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 75.540000000000006 110.886 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.73 136.99 33.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 63.5 111.095 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.01 77.46 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 65.409999999999997 110.851 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 6.9 p -113.09 137.43 46.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 75.239999999999995 111.152 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.53 -46.8 53.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.774 -0.727 . . . . 71.319999999999993 112.441 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 12.0 m -160.69 125.67 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 74.200000000000003 110.838 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 21.0 m-20 -107.43 101.69 11.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 71.200000000000003 110.938 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.53 161.93 17.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 74.409999999999997 110.9 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.27 -134.54 48.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.729 . . . . 44.229999999999997 112.515 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.34 113.89 21.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.799 0.333 . . . . 73.409999999999997 111.073 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 mp -123.24 109.36 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 73.409999999999997 111.173 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 13.7 mt -134.12 119.55 31.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 74.439999999999998 111.11 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.84 -46.29 54.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 63.530000000000001 112.481 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.549 ' CD1' ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -170.95 151.05 3.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.812 0.339 . . . . 75.299999999999997 110.951 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 1.4 mtp -122.3 122.43 39.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 74.450000000000003 110.845 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 84.9 t -120.66 110.97 30.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 74.099999999999994 111.135 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.69 25.54 29.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 64.310000000000002 112.487 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.93 -169.38 25.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 74.340000000000003 112.477 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 3.6 p -167.64 120.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.861 0.362 . . . . 73.450000000000003 111.105 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.1 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 72.120000000000005 111.127 179.923 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.854 0.359 . . . . 65.299999999999997 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.93 86.62 4.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 74.129999999999995 111.073 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -57.34 -23.95 52.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 72.109999999999999 110.93 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -168.0 114.96 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 75.430000000000007 110.905 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -128.86 108.83 10.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 73.030000000000001 110.869 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -107.34 120.5 42.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 71.239999999999995 110.845 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -126.99 101.31 6.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 74.219999999999999 110.827 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -148.61 174.62 11.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 63.409999999999997 110.855 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.69 -9.64 39.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 74.129999999999995 112.47 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.16 113.75 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 75.25 110.95 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -102.33 120.24 40.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 65.310000000000002 110.865 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -131.71 114.39 24.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 75.310000000000002 111.119 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 57.4 m170 -115.17 123.47 48.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 73.109999999999999 110.9 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -133.24 117.37 17.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 75.150000000000006 110.851 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -123.83 135.95 54.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 71.109999999999999 110.875 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.46 116.98 23.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 75.299999999999997 110.912 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -125.66 109.0 12.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 72.439999999999998 110.949 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 29.0 m -119.4 119.99 62.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.230000000000004 111.155 179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -105.8 109.13 20.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 74.540000000000006 110.849 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 59.86 63.5 1.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 72.450000000000003 110.89 -179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.85 136.99 34.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 71.439999999999998 111.087 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.78 77.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 75.510000000000005 110.86 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -113.01 137.56 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 64.530000000000001 111.144 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.53 -46.41 55.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 75.25 112.484 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 12.3 m -160.31 126.06 4.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 73.109999999999999 110.867 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -107.02 100.85 10.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 75.230000000000004 110.905 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.43 162.03 18.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 71.310000000000002 110.887 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.58 -134.11 47.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.742 . . . . 73.230000000000004 112.484 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.3 113.55 20.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.765 0.317 . . . . 71.400000000000006 111.136 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 2.1 mp -122.1 109.35 24.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 74.540000000000006 111.106 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 12.6 mt -133.2 119.91 37.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 72.409999999999997 111.169 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.32 -47.0 70.34 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 54.340000000000003 112.469 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.549 ' N ' ' CD1' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -168.38 148.99 4.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 64.530000000000001 110.91 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 1.4 mtp -122.47 120.62 34.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 72.430000000000007 110.907 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 75.4 t -120.7 110.79 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 74.420000000000002 111.124 -179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.61 25.95 22.76 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.718 -0.753 . . . . 75.420000000000002 112.488 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.12 -169.3 26.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 65.040000000000006 112.484 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 4.1 p -167.43 120.84 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 71.510000000000005 111.142 179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 18.5 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 71.109999999999999 111.126 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.86 0.362 . . . . 73.109999999999999 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.17 87.09 5.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 62.399999999999999 111.119 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -57.26 -24.44 54.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 71.329999999999998 110.879 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -167.33 115.37 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 74.120000000000005 110.862 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -128.01 108.9 11.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 65.010000000000005 110.864 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -107.49 120.54 42.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 74.439999999999998 110.828 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -126.28 101.01 6.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 73.340000000000003 110.886 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 2.9 m -149.31 171.34 16.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 74.150000000000006 110.828 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.54 -8.84 45.37 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.751 . . . . 62.109999999999999 112.482 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -170.91 112.11 0.38 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.868 0.365 . . . . 75.040000000000006 110.932 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -102.58 120.23 40.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 75.5 110.861 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -131.71 115.16 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 72.200000000000003 111.147 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -115.19 122.44 46.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 73.109999999999999 110.852 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -132.31 117.81 18.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 72.040000000000006 110.851 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -124.52 137.34 54.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 75.400000000000006 110.935 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.31 115.66 21.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 75.400000000000006 110.894 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -126.48 105.38 8.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 74.219999999999999 110.875 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 29.5 m -115.85 122.54 69.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 74.340000000000003 111.104 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -106.92 108.35 19.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 75.310000000000002 110.855 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 60.25 64.06 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 74.319999999999993 110.854 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.69 137.05 35.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 74.209999999999994 111.064 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.78 77.72 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 65.510000000000005 110.845 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 6.7 p -113.69 137.02 48.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 61.399999999999999 111.11 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.44 -46.15 50.19 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.72 . . . . 73.150000000000006 112.485 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 11.6 m -160.6 125.12 3.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.358 . . . . 74.519999999999996 110.895 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -106.35 99.82 9.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 73.129999999999995 110.907 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.7 163.16 16.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 74.230000000000004 110.885 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.27 -133.84 42.49 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.733 . . . . 74.329999999999998 112.5 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.16 113.36 20.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.781 0.324 . . . . 75.430000000000007 111.103 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 2.2 mp -119.7 111.73 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 72.140000000000001 111.153 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 mt -131.1 114.63 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 74.010000000000005 111.153 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.39 -42.78 84.24 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 74.030000000000001 112.461 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.529 ' N ' ' CD1' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -168.89 147.05 3.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.807 0.337 . . . . 74.310000000000002 110.926 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mtp -124.4 120.41 32.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 74.329999999999998 110.896 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 89.0 t -127.44 109.91 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 75.140000000000001 111.097 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.4 25.51 19.98 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 64.329999999999998 112.457 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.02 -168.77 25.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.728 . . . . 72.430000000000007 112.459 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 4.4 p -167.68 122.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.352 . . . . 73.430000000000007 111.146 -179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 18.1 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 75.299999999999997 111.119 179.943 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.835 0.35 . . . . 61.210000000000001 110.874 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.45 87.02 5.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 63.039999999999999 111.065 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -57.26 -24.41 54.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 74.049999999999997 110.876 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -167.29 115.06 0.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 62.0 110.836 -179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -128.93 109.19 11.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 75.409999999999997 110.89 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -108.74 120.99 44.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 70.010000000000005 110.863 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -127.7 102.23 6.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 75.010000000000005 110.895 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -148.93 176.02 10.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 64.010000000000005 110.833 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.47 -10.39 38.64 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.715 -0.755 . . . . 70.140000000000001 112.493 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.38 114.69 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 74.439999999999998 110.945 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -103.08 120.62 41.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 75.25 110.888 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 51.0 t -132.16 114.04 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 73.030000000000001 111.085 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 61.1 m170 -114.33 124.5 52.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 75.430000000000007 110.901 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -133.69 115.69 14.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 65.239999999999995 110.842 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -121.26 136.73 54.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 75.209999999999994 110.92 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -131.44 115.56 16.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 74.349999999999994 110.911 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -119.63 110.4 16.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 64.25 110.908 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -116.57 119.2 61.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 75.319999999999993 111.157 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 13.8 m-85 -106.02 107.09 17.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 75.019999999999996 110.859 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 58.97 65.51 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 75.400000000000006 110.914 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.28 137.85 32.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 75.420000000000002 111.118 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 57.01 77.51 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 74.420000000000002 110.877 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -112.33 139.11 38.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 64.530000000000001 111.187 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.75 -47.48 55.48 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.797 -0.716 . . . . 64.030000000000001 112.474 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 12.1 m -160.83 124.54 3.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 75.120000000000005 110.912 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 18.1 m-20 -106.7 101.61 11.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 71.430000000000007 110.935 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.65 161.85 17.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 73.430000000000007 110.897 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.16 -137.18 49.33 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.777 -0.725 . . . . 74.319999999999993 112.513 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.0 113.27 20.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 75.030000000000001 111.126 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 mp -122.44 110.83 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 73.049999999999997 111.142 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 18.4 mt -137.86 115.92 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 71.140000000000001 111.177 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.19 -48.74 32.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 53.520000000000003 112.47 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.518 ' N ' ' CD1' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -172.91 148.81 1.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.789 0.328 . . . . 70.120000000000005 110.901 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 1.3 mtp -123.63 123.25 40.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 74.430000000000007 110.868 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 58.0 t -112.6 115.33 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 73.040000000000006 111.126 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.1 22.63 43.64 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.74 . . . . 71.150000000000006 112.46 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.96 -169.67 25.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 72.439999999999998 112.497 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 4.3 p -169.08 121.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 71.099999999999994 111.134 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 18.1 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 62.299999999999997 111.149 179.931 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.859 0.362 . . . . 71.209999999999994 110.912 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.04 87.2 5.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 63.240000000000002 111.107 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -56.77 -23.88 46.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 62.210000000000001 110.901 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -167.43 114.99 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 72.340000000000003 110.877 -179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -128.45 108.91 10.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 74.530000000000001 110.879 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -107.52 120.76 43.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 73.439999999999998 110.868 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -127.08 101.48 6.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 73.420000000000002 110.854 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -148.36 175.42 11.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 60.340000000000003 110.886 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.63 -9.99 39.24 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.741 -0.742 . . . . 73.019999999999996 112.47 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.45 114.14 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.356 . . . . 74.340000000000003 110.951 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -102.21 120.04 39.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 74.310000000000002 110.881 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -131.46 114.04 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 74.319999999999993 111.102 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -115.27 123.61 49.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 74.120000000000005 110.898 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -133.38 116.67 16.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 71.450000000000003 110.825 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -122.37 135.49 54.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 74.150000000000006 110.889 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -127.7 116.11 19.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 74.540000000000006 110.93 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -121.37 110.61 16.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 74.299999999999997 110.94 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -118.74 119.17 60.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 74.409999999999997 111.113 179.884 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . 0.4 ' CD2' HD13 ' G' ' 34' ' ' LEU . 6.9 m-85 -105.9 110.0 22.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 74.340000000000003 110.913 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 59.47 63.58 1.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 73.200000000000003 110.85 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.4 137.84 32.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 71.230000000000004 111.109 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.38 77.69 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 75.329999999999998 110.868 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 6.9 p -113.54 137.54 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 64.530000000000001 111.138 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.62 -46.76 53.19 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 64.040000000000006 112.512 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 11.6 m -160.82 124.84 3.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 72.329999999999998 110.848 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -106.5 101.31 10.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 75.310000000000002 110.91 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.78 161.94 17.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.439999999999998 110.905 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.86 -136.18 48.87 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 62.240000000000002 112.494 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.17 113.89 20.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.752 0.31 . . . . 71.140000000000001 111.079 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 mp -123.23 111.33 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 75.310000000000002 111.164 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 18.2 mt -136.27 118.63 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 72.430000000000007 111.156 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.16 -48.15 40.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 73.319999999999993 112.521 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.538 ' N ' ' CD1' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -171.07 151.13 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 62.219999999999999 110.91 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 1.3 mtp -122.65 123.43 41.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 75.510000000000005 110.898 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 65.4 t -120.19 111.03 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 73.219999999999999 111.172 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.22 23.52 47.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 75.420000000000002 112.486 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.16 -169.77 25.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.758 . . . . 72.329999999999998 112.503 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 3.3 p -168.27 120.82 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.909 0.385 . . . . 64.329999999999998 111.137 -179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 17.6 m . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 74.340000000000003 111.114 179.949 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.772 0.32 . . . . 70.299999999999997 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.19 87.22 5.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 72.140000000000001 111.095 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -57.1 -24.09 51.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 73.299999999999997 110.896 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -167.64 115.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 75.439999999999998 110.903 -179.955 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -128.66 109.03 10.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 70.219999999999999 110.909 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -107.53 120.22 41.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 74.349999999999994 110.855 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -126.74 101.28 6.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 74.230000000000004 110.887 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -148.29 175.22 11.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 72.019999999999996 110.834 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.48 -10.14 39.25 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 60.43 112.492 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.32 114.2 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 73.140000000000001 110.919 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -102.04 120.07 39.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 74.430000000000007 110.863 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 48.5 t -131.48 114.27 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 71.049999999999997 111.093 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 61.5 m170 -115.5 123.6 48.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 73.319999999999993 110.838 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -133.25 117.06 16.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 70.340000000000003 110.88 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -123.0 135.13 54.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 73.25 110.925 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -125.78 116.42 21.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 63.409999999999997 110.924 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -123.18 109.92 14.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 73.239999999999995 110.934 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 27.3 m -119.31 120.09 62.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 54.219999999999999 111.124 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . 0.428 ' CD2' HD13 ' H' ' 34' ' ' LEU . 4.6 m-85 -106.48 109.73 21.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 74.010000000000005 110.881 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 59.52 63.4 1.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 73.409999999999997 110.862 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.07 137.23 33.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 73.329999999999998 111.083 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.33 77.23 0.26 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 64.230000000000004 110.84 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 6.8 p -113.29 137.95 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 75.400000000000006 111.144 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.81 -46.83 51.31 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.745 -0.741 . . . . 63.219999999999999 112.49 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 11.9 m -160.41 125.39 3.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 65.519999999999996 110.914 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 22.3 m-20 -107.04 100.75 10.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 74.519999999999996 110.867 -179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.93 161.76 17.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 75.349999999999994 110.923 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.89 -136.18 46.36 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 71.530000000000001 112.47 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.88 113.77 20.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.723 0.297 . . . . 71.010000000000005 111.077 179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 mp -122.34 110.5 27.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 73.230000000000004 111.151 179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 14.1 mt -134.14 118.88 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 73.430000000000007 111.137 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.1 -46.66 56.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 71.129999999999995 112.499 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . 0.562 ' CD1' ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -170.26 150.48 3.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.844 0.354 . . . . 71.439999999999998 110.904 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 1.4 mtp -121.84 122.14 38.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 75.329999999999998 110.898 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 69.1 t -121.27 111.15 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 75.120000000000005 111.105 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 54.29 24.75 30.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 52.030000000000001 112.517 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.73 -169.63 25.44 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.737 -0.744 . . . . 64.329999999999998 112.476 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 3.4 p -168.32 120.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 75.450000000000003 111.121 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 18.0 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 72.400000000000006 111.128 179.921 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.843 0.354 . . . . 65.530000000000001 110.914 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.82 86.5 5.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 72.129999999999995 111.081 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -56.76 -24.22 48.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 75.530000000000001 110.912 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -167.92 115.38 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 74.540000000000006 110.865 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -128.6 109.09 11.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 74.310000000000002 110.905 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -107.18 120.11 41.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 63.350000000000001 110.877 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -126.86 101.36 6.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 74.200000000000003 110.875 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -148.5 174.82 11.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 73.420000000000002 110.843 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.72 -9.72 39.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.731 . . . . 73.430000000000007 112.497 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.16 113.94 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.917 0.389 . . . . 74.510000000000005 110.902 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -101.86 120.31 40.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.109 -0.496 . . . . 74.099999999999994 110.841 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -131.54 114.29 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 73.409999999999997 111.134 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -115.44 123.56 48.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 75.230000000000004 110.847 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -133.38 117.19 16.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 74.340000000000003 110.833 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -123.76 135.06 53.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 72.140000000000001 110.915 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.44 116.73 23.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 73.040000000000006 110.926 179.947 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -125.09 108.98 12.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 63.43 110.93 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 27.8 m -119.01 120.21 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 73.200000000000003 111.116 179.853 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -106.09 109.1 20.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 75.430000000000007 110.867 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 59.79 64.1 1.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 72.049999999999997 110.889 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.61 137.02 35.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 73.329999999999998 111.075 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.15 77.46 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 60.340000000000003 110.854 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 7.2 p -113.4 137.52 46.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 75.310000000000002 111.099 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.55 -46.3 55.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 73.340000000000003 112.451 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 12.0 m -160.47 125.32 3.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.892 0.377 . . . . 74.099999999999994 110.865 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 20.8 m-20 -106.44 99.82 9.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 73.420000000000002 110.874 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.57 161.67 18.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 73.019999999999996 110.864 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.45 -135.47 44.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.74 . . . . 64.340000000000003 112.485 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.72 113.78 20.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.724 0.297 . . . . 72.230000000000004 111.141 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 2.1 mp -121.9 110.38 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 75.439999999999998 111.16 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 13.6 mt -133.11 119.0 34.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 71.109999999999999 111.171 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.04 -46.87 68.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.761 . . . . 73.439999999999998 112.526 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . 0.551 ' N ' ' CD1' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -168.56 149.14 4.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.746 0.308 . . . . 71.019999999999996 110.959 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 1.5 mtp -122.33 120.51 34.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 73.140000000000001 110.879 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 74.2 t -121.26 110.71 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 74.299999999999997 111.101 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.16 25.67 25.99 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.748 -0.739 . . . . 72.329999999999998 112.539 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.01 -169.27 26.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.786 -0.721 . . . . 75.400000000000006 112.482 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 3.7 p -168.07 120.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.356 . . . . 74.329999999999998 111.182 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 75.549999999999997 111.115 179.952 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.842 0.354 . . . . 73.540000000000006 110.928 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.88 87.37 5.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 62.420000000000002 111.111 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -56.47 -25.01 49.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 75.140000000000001 110.864 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -167.66 115.44 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 74.450000000000003 110.916 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -127.77 109.03 11.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 75.530000000000001 110.905 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -107.4 119.97 40.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 63.219999999999999 110.845 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -126.21 101.17 6.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 71.049999999999997 110.849 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 2.9 m -149.27 171.58 16.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 71.219999999999999 110.876 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.6 -8.96 44.94 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.75 . . . . 44.43 112.445 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -170.98 112.58 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 74.209999999999994 110.884 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -101.99 120.28 40.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 72.530000000000001 110.864 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -131.23 114.97 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 52.009999999999998 111.138 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -115.48 122.68 46.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 74.540000000000006 110.891 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -132.24 117.42 18.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 74.400000000000006 110.839 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -124.07 136.04 53.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 74.400000000000006 110.928 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -124.65 115.54 20.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 74.519999999999996 110.886 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -126.44 105.96 9.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 73.400000000000006 110.861 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 30.6 m -115.9 122.44 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 73.349999999999994 111.186 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -107.1 108.29 19.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 71.420000000000002 110.887 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 60.02 64.23 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 75.430000000000007 110.888 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.5 137.05 36.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 72.310000000000002 111.083 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.91 77.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 71.25 110.867 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 7.0 p -114.28 137.58 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 70.099999999999994 111.088 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.68 -46.63 53.26 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.737 -0.744 . . . . 55.030000000000001 112.479 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 11.5 m -161.02 124.76 3.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.888 0.375 . . . . 71.430000000000007 110.839 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -105.79 99.28 8.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 75.409999999999997 110.912 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.72 162.26 17.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 71.439999999999998 110.917 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.08 -134.99 40.08 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.788 -0.72 . . . . 60.350000000000001 112.516 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.4 113.45 20.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 63.409999999999997 111.102 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 2.2 mp -119.92 112.14 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 74.329999999999998 111.126 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 11.6 mt -130.25 114.28 28.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 73.040000000000006 111.14 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.9 -43.14 81.77 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.717 -0.754 . . . . 74.209999999999994 112.53 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . 0.526 ' N ' ' CD1' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -168.73 146.81 4.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.82 0.343 . . . . 75.25 110.919 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mtp -123.54 120.05 31.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 74.200000000000003 110.916 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 82.0 t -127.83 109.95 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 74.010000000000005 111.128 179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.95 24.93 22.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.673 -0.775 . . . . 74.519999999999996 112.553 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.08 -168.65 26.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 65.109999999999999 112.455 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 p -168.25 121.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 75.230000000000004 111.146 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 18.2 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 62.109999999999999 111.138 179.915 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.828 0.347 . . . . 73.549999999999997 110.817 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.75 78.16 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 72.019999999999996 111.12 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -53.96 -47.84 70.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 71.530000000000001 110.909 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 -142.51 113.13 7.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 70.299999999999997 110.891 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -138.33 108.62 6.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 73.120000000000005 110.869 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -111.67 130.86 55.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 73.150000000000006 110.861 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -135.33 101.89 4.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 71.540000000000006 110.885 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -154.77 127.63 8.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 64.439999999999998 110.833 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.62 -28.98 31.25 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 73.019999999999996 112.505 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -149.62 112.46 4.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 74.409999999999997 110.912 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -110.04 124.06 50.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 73.010000000000005 110.907 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.8 t -135.33 113.56 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 73.109999999999999 111.127 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -120.03 132.75 55.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 73.540000000000006 110.83 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -134.95 122.68 22.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 54.409999999999997 110.893 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -129.2 132.87 47.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 73.430000000000007 110.89 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -128.57 116.4 19.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 74.230000000000004 110.906 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -115.05 110.85 20.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 73.5 110.913 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.0 m -115.66 122.37 69.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 75.010000000000005 111.115 179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.407 ' CG ' HD13 ' A' ' 34' ' ' LEU . 8.8 m-85 -105.99 107.63 18.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 74.239999999999995 110.854 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 59.16 89.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 65.239999999999995 110.878 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.31 129.79 55.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 74.140000000000001 111.092 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 62.96 102.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 64.430000000000007 110.909 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 13.5 p -146.22 135.7 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 75.25 111.109 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.54 -48.76 84.44 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.799 -0.715 . . . . 73.109999999999999 112.492 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.3 m -160.57 139.78 10.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 62.399999999999999 110.87 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 60.8 m-20 -114.38 103.47 11.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 70.129999999999995 110.932 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -115.31 176.3 5.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 75.109999999999999 110.921 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.28 -135.38 27.57 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.731 -0.747 . . . . 62.109999999999999 112.515 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.96 113.8 23.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 75.209999999999994 111.1 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 mp -122.57 106.69 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 75.150000000000006 111.122 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 mt -135.17 117.41 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 75.239999999999995 111.115 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.54 -49.67 20.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 71.310000000000002 112.47 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.584 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -155.94 152.29 28.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 65.109999999999999 110.915 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.8 mmm -125.26 123.03 38.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 74.549999999999997 110.84 179.878 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 90.7 t -109.22 115.12 48.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 75.450000000000003 111.091 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.67 -51.06 0.78 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 71.5 112.517 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.23 152.68 6.55 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.702 -0.761 . . . . 74.209999999999994 112.45 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 p -114.78 143.2 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 75.430000000000007 111.132 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 74.519999999999996 111.068 179.964 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.838 0.351 . . . . 73.219999999999999 110.903 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.54 78.57 1.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 75.25 111.068 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -54.0 -46.5 71.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 74.019999999999996 110.897 -179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 14.7 m-85 -144.09 113.4 6.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 75.340000000000003 110.953 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -135.96 109.33 7.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 72.209999999999994 110.901 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -112.23 131.29 55.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 73.430000000000007 110.88 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -135.81 102.24 5.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 65.040000000000006 110.828 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 10.7 t -156.27 126.79 6.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 64.540000000000006 110.907 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.3 -28.35 34.81 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 72.319999999999993 112.491 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -149.65 111.43 4.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.362 . . . . 74.230000000000004 110.919 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -106.85 125.16 50.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 75.420000000000002 110.895 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.4 t -134.3 113.39 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 74.420000000000002 111.117 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 60.0 m170 -120.34 131.6 54.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 71.140000000000001 110.842 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -134.81 123.29 23.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 73.450000000000003 110.824 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -129.07 132.54 47.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.433 . . . . 73.319999999999993 110.911 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -126.94 115.82 19.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 62.310000000000002 110.917 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -118.19 109.95 16.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 72.310000000000002 110.929 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 33.0 m -117.3 121.55 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 75.540000000000006 111.099 179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 -103.94 110.13 22.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 75.319999999999993 110.903 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 59.3 88.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 73.409999999999997 110.887 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.5 129.42 55.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.349999999999994 111.149 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 62.92 103.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 73.400000000000006 110.872 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 13.9 p -147.48 134.1 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 75.340000000000003 111.11 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.93 -47.2 92.45 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 64.310000000000002 112.521 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 16.5 m -160.45 139.28 10.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.37 . . . . 71.420000000000002 110.858 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 57.6 m-20 -113.78 103.42 11.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 72.140000000000001 110.897 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -115.57 177.28 4.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 73.430000000000007 110.899 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.52 -135.49 28.57 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 64.530000000000001 112.488 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.74 113.69 24.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 65.219999999999999 111.058 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 mp -122.41 106.67 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 72.140000000000001 111.123 179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -133.77 117.49 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 75.340000000000003 111.12 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.59 -50.45 14.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 55.109999999999999 112.516 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.581 ' N ' ' CD1' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -154.85 150.97 28.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 65.25 110.949 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 14.4 mmm -123.72 120.56 33.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 74.120000000000005 110.865 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 88.4 t -110.02 114.69 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 75.109999999999999 111.062 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.8 -50.9 0.79 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 73.200000000000003 112.466 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.34 151.96 6.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.75 . . . . 64.430000000000007 112.498 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.3 p -115.77 143.0 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 64.530000000000001 111.145 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 18.6 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 74.230000000000004 111.124 179.916 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.852 0.358 . . . . 73.099999999999994 110.854 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.69 78.23 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 73.510000000000005 111.103 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -54.15 -46.86 72.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.437 . . . . 73.420000000000002 110.871 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -143.59 113.76 7.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 73.510000000000005 110.883 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -134.89 108.71 8.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 75.340000000000003 110.842 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -112.21 130.35 55.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 74.010000000000005 110.859 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -134.7 101.9 5.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 73.450000000000003 110.822 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -156.17 126.85 6.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 74.109999999999999 110.876 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.66 -28.14 37.11 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 71.230000000000004 112.458 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -149.5 112.28 4.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.897 0.379 . . . . 72.219999999999999 110.886 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -106.46 125.3 50.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 74.519999999999996 110.877 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 24.1 t -133.98 113.52 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 73.129999999999995 111.148 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -120.0 131.18 55.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 73.299999999999997 110.838 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -134.98 122.48 21.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 71.310000000000002 110.883 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -129.68 132.48 46.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 74.450000000000003 110.928 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -125.65 115.91 20.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 71.209999999999994 110.916 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -119.36 110.01 16.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 73.140000000000001 110.93 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 34.7 m -117.8 122.26 69.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 74.209999999999994 111.173 179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 2.9 m-30 -103.55 110.47 22.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 73.25 110.844 -179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 59.0 88.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 74.420000000000002 110.907 -179.922 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.55 129.58 55.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 62.340000000000003 111.087 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.32 103.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 71.430000000000007 110.85 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 14.8 p -147.8 133.3 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 72.25 111.147 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.42 -46.56 94.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.69 -0.767 . . . . 72.319999999999993 112.489 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 16.8 m -160.16 139.6 11.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.356 . . . . 71.430000000000007 110.905 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -113.55 103.31 11.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 72.349999999999994 110.894 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 1.6 tptm -116.0 177.59 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 72.140000000000001 110.919 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.49 -135.51 28.42 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 72.239999999999995 112.464 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.48 113.71 24.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.769 0.319 . . . . 74.129999999999995 111.109 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 mp -122.69 106.57 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 72.319999999999993 111.116 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -133.62 118.32 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 74.140000000000001 111.112 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.11 -50.92 15.15 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.751 . . . . 71.140000000000001 112.487 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.573 ' CD1' ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -153.75 150.98 29.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.812 0.339 . . . . 74.319999999999993 110.932 -179.902 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 15.8 mmm -124.87 119.14 27.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 63.229999999999997 110.916 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 86.6 t -110.26 115.54 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 64.340000000000003 111.124 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.06 -51.45 0.76 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 71.109999999999999 112.487 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.47 151.71 6.11 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.776 -0.726 . . . . 61.0 112.509 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 3.2 p -115.05 142.85 26.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 73.439999999999998 111.169 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 19.7 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 73.239999999999995 111.152 179.888 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.793 0.33 . . . . 71.230000000000004 110.853 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.12 76.45 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 71.549999999999997 111.095 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -53.33 -47.71 69.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 73.409999999999997 110.874 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 -143.7 113.57 7.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 74.340000000000003 110.846 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -133.24 108.54 8.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 75.219999999999999 110.873 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -111.79 129.51 56.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 72.340000000000003 110.852 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -133.31 101.27 5.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 74.510000000000005 110.828 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -156.71 127.09 6.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 75.310000000000002 110.872 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.85 -27.62 44.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 74.450000000000003 112.481 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -149.3 112.93 5.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 75.409999999999997 110.909 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -106.48 126.06 51.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.063 -0.517 . . . . 73.109999999999999 110.906 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 24.6 t -134.07 114.13 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 64.450000000000003 111.136 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 59.6 m170 -120.04 132.26 55.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 63.219999999999999 110.863 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -135.73 122.81 21.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 64.420000000000002 110.808 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -130.25 132.08 45.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 74.120000000000005 110.905 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -124.73 115.49 20.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 73.430000000000007 110.89 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -121.12 110.16 15.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 75.319999999999993 110.93 179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 26.8 m -118.36 122.74 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 75.209999999999994 111.094 179.854 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 0.411 ' CG ' HD13 ' D' ' 34' ' ' LEU . 2.2 m-30 -102.59 109.64 21.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 74.140000000000001 110.87 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 59.03 89.17 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 74.040000000000006 110.866 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.94 129.44 55.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 62.420000000000002 111.122 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.71 103.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 74.519999999999996 110.847 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 14.5 p -148.05 133.0 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 73.329999999999998 111.182 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.64 -46.62 93.88 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 71.140000000000001 112.518 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 17.1 m -159.74 139.87 11.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.903 0.382 . . . . 72.140000000000001 110.886 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -113.02 103.15 11.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 54.009999999999998 110.888 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -116.64 177.71 4.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 74.430000000000007 110.878 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.96 -134.83 31.32 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 70.299999999999997 112.485 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.14 113.94 25.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 72.219999999999999 111.12 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 mp -122.99 106.86 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 75.230000000000004 111.14 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -133.61 120.25 36.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 63.329999999999998 111.095 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.96 -52.89 20.32 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.722 -0.751 . . . . 72.340000000000003 112.505 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.551 ' N ' ' CD1' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -151.19 148.96 28.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 74.239999999999995 110.895 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 15.7 mmm -124.06 118.38 26.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 73.019999999999996 110.893 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 85.0 t -111.46 116.0 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 72.540000000000006 111.126 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.56 -51.96 0.73 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.79 -0.719 . . . . 73.329999999999998 112.494 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.18 152.25 6.28 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 63.420000000000002 112.483 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 3.2 p -114.86 143.02 25.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.916 0.389 . . . . 75.430000000000007 111.116 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 72.5 111.101 179.956 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.833 0.349 . . . . 74.430000000000007 110.839 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.0 79.61 1.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 73.040000000000006 111.096 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -51.36 -46.28 62.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 72.239999999999995 110.893 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -143.53 114.9 7.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 71.129999999999995 110.866 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -131.64 107.7 9.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 74.420000000000002 110.893 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -112.35 128.93 56.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 73.25 110.899 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -131.4 100.26 5.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 72.400000000000006 110.836 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -157.07 127.93 6.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 73.530000000000001 110.854 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.19 -25.88 57.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 71.140000000000001 112.493 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -149.22 112.16 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.366 . . . . 75.310000000000002 110.875 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -105.58 126.5 52.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.085 -0.507 . . . . 75.409999999999997 110.89 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 24.6 t -132.8 114.29 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 74.439999999999998 111.116 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -119.99 131.18 55.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 75.329999999999998 110.867 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -134.79 122.83 22.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 74.109999999999999 110.874 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -132.32 132.96 43.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 74.329999999999998 110.917 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -125.48 114.97 19.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 72.430000000000007 110.929 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -121.75 107.7 12.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 74.209999999999994 110.906 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 29.3 m -115.31 125.45 72.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 74.349999999999994 111.165 179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -102.85 108.72 20.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 75.329999999999998 110.869 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 59.44 89.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 73.299999999999997 110.866 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.84 129.87 55.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 74.439999999999998 111.088 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.04 104.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 75.549999999999997 110.87 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 13.7 p -150.06 132.76 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 74.239999999999995 111.138 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.45 -46.42 93.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 55.350000000000001 112.478 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 16.4 m -160.25 140.1 11.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.37 . . . . 74.450000000000003 110.826 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 56.0 m-20 -112.12 102.4 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 74.439999999999998 110.882 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -116.76 178.15 4.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 73.150000000000006 110.893 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.6 -134.39 34.42 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.759 . . . . 71.040000000000006 112.498 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.93 113.76 24.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 74.409999999999997 111.105 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 mp -122.63 107.31 19.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 73.019999999999996 111.136 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -132.32 118.22 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 75.299999999999997 111.132 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.73 -49.33 34.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 74.219999999999999 112.493 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.489 ' N ' ' CD1' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -152.15 150.89 30.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 74.329999999999998 110.971 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 24.2 mmm -128.82 118.26 22.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 72.209999999999994 110.866 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 85.7 t -117.11 115.71 49.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 74.230000000000004 111.137 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.48 -49.64 0.86 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.73 . . . . 71.129999999999995 112.487 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 134.58 151.24 6.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 71.219999999999999 112.496 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 3.9 p -115.45 142.48 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 61.32 111.15 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 19.1 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 71.25 111.125 179.943 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.805 0.336 . . . . 74.439999999999998 110.884 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.42 77.19 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 74.120000000000005 111.11 179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -52.82 -50.2 64.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 52.520000000000003 110.853 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -140.82 113.97 8.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.439999999999998 110.905 -179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -137.98 109.08 6.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 75.420000000000002 110.82 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -111.23 130.36 55.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 72.409999999999997 110.849 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -135.05 102.19 5.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 72.219999999999999 110.878 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 10.7 t -154.76 127.37 8.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 61.130000000000003 110.813 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.65 -29.17 31.97 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 55.130000000000003 112.5 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -149.51 112.28 4.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 74.239999999999995 110.909 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -109.16 124.07 50.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 73.040000000000006 110.866 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 23.2 t -134.29 113.55 17.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 73.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -120.69 132.4 55.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 73.549999999999997 110.846 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -135.79 121.9 20.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 72.129999999999995 110.854 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -129.66 133.02 46.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 73.25 110.903 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -129.31 116.96 19.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 74.209999999999994 110.874 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -114.73 111.34 21.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 72.439999999999998 110.896 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 27.9 m -115.73 122.4 69.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 74.510000000000005 111.096 179.852 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . 0.416 ' CG ' HD13 ' F' ' 34' ' ' LEU . 8.8 m-85 -105.27 107.96 19.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 74.25 110.882 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 59.33 88.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 74.030000000000001 110.878 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.63 129.98 55.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 73.319999999999993 111.087 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.78 103.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 72.329999999999998 110.853 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 14.3 p -146.13 134.94 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 72.400000000000006 111.153 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.8 -48.64 84.24 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.766 -0.731 . . . . 71.420000000000002 112.487 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 17.1 m -160.64 139.59 10.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.382 . . . . 63.399999999999999 110.854 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 49.3 m-20 -109.4 102.81 11.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 74.439999999999998 110.854 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -114.34 173.64 6.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 74.239999999999995 110.87 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.11 -139.89 18.69 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 64.129999999999995 112.528 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.26 114.52 23.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.776 0.322 . . . . 72.129999999999995 111.067 180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 mp -120.96 109.08 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 75.120000000000005 111.1 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -133.61 117.05 25.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 74.430000000000007 111.125 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.03 -50.14 16.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 73.150000000000006 112.462 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.586 ' N ' ' CD1' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -156.84 152.39 26.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 74.040000000000006 110.914 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 8.8 mmm -124.86 122.89 38.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 73.400000000000006 110.882 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 90.4 t -109.15 114.61 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 75.329999999999998 111.128 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.95 -50.8 0.8 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.769 -0.729 . . . . 64.319999999999993 112.465 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.13 152.92 6.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.763 . . . . 72.049999999999997 112.491 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 3.8 p -114.5 142.93 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 75.409999999999997 111.156 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 18.9 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 65.420000000000002 111.094 179.918 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.802 0.335 . . . . 70.230000000000004 110.83 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.06 76.74 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 71.400000000000006 111.067 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.88 -49.77 65.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 75.140000000000001 110.887 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 15.6 m-85 -141.95 114.37 8.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 74.420000000000002 110.89 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -136.41 110.66 8.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 74.140000000000001 110.86 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -112.84 131.19 55.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 74.549999999999997 110.858 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -135.75 102.37 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 72.049999999999997 110.873 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 10.7 t -156.3 126.63 6.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 73.420000000000002 110.881 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.46 -28.24 35.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 65.099999999999994 112.473 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -149.45 111.42 4.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.808 0.337 . . . . 74.299999999999997 110.916 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -106.95 124.93 50.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 74.209999999999994 110.898 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 23.7 t -134.23 113.76 17.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 64.099999999999994 111.119 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -120.44 131.35 54.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 75.129999999999995 110.86 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -134.55 122.85 22.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 74.540000000000006 110.891 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -129.51 132.62 46.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 75.519999999999996 110.9 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -127.37 115.69 19.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 75.540000000000006 110.897 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -117.69 110.16 17.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 73.329999999999998 110.945 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 35.5 m -117.5 121.75 68.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 71.530000000000001 111.144 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 -103.46 109.89 21.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 71.510000000000005 110.9 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 59.13 88.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 71.450000000000003 110.863 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.27 130.44 55.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 60.439999999999998 111.074 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 63.56 103.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 65.219999999999999 110.804 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 13.3 p -147.08 133.72 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 74.109999999999999 111.141 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.25 -47.35 91.5 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.742 -0.742 . . . . 54.109999999999999 112.515 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 18.2 m -160.59 139.39 10.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.899 0.38 . . . . 74.329999999999998 110.857 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 54.7 m-20 -110.41 103.63 12.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 75.219999999999999 110.925 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -114.57 174.64 5.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 64.310000000000002 110.931 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.46 -140.14 20.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.706 -0.759 . . . . 72.109999999999999 112.506 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.06 114.54 23.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.738 0.304 . . . . 61.340000000000003 111.117 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 mp -120.99 108.8 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 73.109999999999999 111.087 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -132.67 117.55 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 74.420000000000002 111.098 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.18 -50.94 15.51 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 74.209999999999994 112.467 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.586 ' N ' ' CD1' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -154.82 150.98 28.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.778 0.323 . . . . 72.519999999999996 110.912 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 14.1 mmm -124.06 120.56 32.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 73.409999999999997 110.876 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 90.3 t -109.9 114.43 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 74.140000000000001 111.142 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.03 -51.09 0.79 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 50.329999999999998 112.509 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.18 152.44 6.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 74.25 112.493 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 3.1 p -115.06 142.73 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 75.340000000000003 111.122 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 17.4 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 71.129999999999995 111.172 179.865 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.789 0.328 . . . . 71.209999999999994 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.92 77.07 1.01 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 63.200000000000003 111.126 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -52.37 -50.05 63.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 74.010000000000005 110.927 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 16.4 m-85 -141.21 114.27 8.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 71.430000000000007 110.888 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -135.27 109.38 8.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.15 -0.477 . . . . 74.310000000000002 110.837 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -112.43 130.31 56.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 73.439999999999998 110.848 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -134.88 102.29 5.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 64.209999999999994 110.857 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 10.7 t -156.12 126.62 6.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 64.349999999999994 110.861 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.63 -28.24 37.11 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.685 -0.769 . . . . 74.099999999999994 112.557 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -149.27 111.47 4.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.371 . . . . 74.310000000000002 110.932 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -105.71 124.88 50.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 75.319999999999993 110.904 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 24.0 t -134.1 113.66 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 74.329999999999998 111.149 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -120.3 131.35 54.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 70.349999999999994 110.807 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -135.33 122.52 21.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 74.25 110.871 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -130.18 132.63 46.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 72.109999999999999 110.893 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -125.66 116.44 21.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 73.319999999999993 110.882 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -119.4 109.82 16.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 74.219999999999999 110.934 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 35.5 m -117.6 122.5 69.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 74.319999999999993 111.114 179.832 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . 0.411 ' CD1' ' N ' ' H' ' 19' ' ' PHE . 3.0 m-30 -103.32 109.64 21.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 75.549999999999997 110.895 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 59.3 88.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 73.530000000000001 110.898 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.54 130.17 55.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 74.349999999999994 111.119 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.84 102.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 75.109999999999999 110.921 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 14.9 p -147.48 133.33 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 72.120000000000005 111.167 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.65 -47.26 92.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 64.230000000000004 112.482 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 18.3 m -160.18 139.46 10.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 63.409999999999997 110.856 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 53.3 m-20 -110.39 103.24 11.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 72.409999999999997 110.902 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -114.6 175.22 5.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 73.420000000000002 110.891 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.6 -139.61 21.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 73.239999999999995 112.522 179.945 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -86.78 114.2 23.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 72.129999999999995 111.076 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 mp -121.17 108.14 21.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 74.129999999999995 111.152 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -132.56 118.08 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 75.230000000000004 111.108 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.49 -51.13 16.98 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 65.519999999999996 112.483 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . 0.576 ' CD1' ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -153.67 150.97 29.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 72.340000000000003 110.893 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 15.7 mmm -125.15 119.15 27.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 74.25 110.892 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 87.7 t -110.09 115.6 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 74.430000000000007 111.164 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.92 -51.51 0.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 75.010000000000005 112.466 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.16 152.75 6.4 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.747 -0.74 . . . . 73.129999999999995 112.464 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 3.0 p -115.02 142.59 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 73.219999999999999 111.128 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 17.2 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 74.430000000000007 111.155 179.931 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.821 0.344 . . . . 71.129999999999995 110.862 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.5 77.8 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 64.219999999999999 111.097 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -51.89 -49.88 62.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 60.329999999999998 110.937 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 16.9 m-85 -141.72 114.24 8.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 75.239999999999995 110.877 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -134.25 109.55 8.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 64.329999999999998 110.895 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -112.34 129.61 56.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 74.430000000000007 110.909 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -133.86 101.68 5.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 73.209999999999994 110.885 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -156.66 126.78 6.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 62.130000000000003 110.85 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.53 -27.96 43.39 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.753 . . . . 64.040000000000006 112.469 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -149.1 112.55 5.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 70.310000000000002 110.916 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -105.51 125.48 51.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 52.420000000000002 110.875 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 24.5 t -133.61 113.98 19.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 75.0 111.15 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -119.72 132.18 55.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 74.25 110.837 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -135.68 122.5 21.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 60.43 110.891 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -130.55 132.2 45.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 73.420000000000002 110.906 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 6.8 tttp -125.0 115.61 20.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 71.420000000000002 110.883 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -121.29 110.14 15.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 70.129999999999995 110.911 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 28.7 m -118.37 123.1 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 71.129999999999995 111.123 179.848 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . 0.427 ' N ' ' CD1' ' I' ' 19' ' ' PHE . 2.3 m-30 -102.75 109.06 20.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 75.450000000000003 110.848 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 59.08 88.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 62.340000000000003 110.877 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.34 130.11 55.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 74.319999999999993 111.111 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.61 102.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 71.319999999999993 110.883 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 14.8 p -147.76 133.02 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 75.219999999999999 111.127 -179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.82 -46.68 94.04 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 74.010000000000005 112.457 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 17.4 m -160.51 139.79 10.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 74.310000000000002 110.865 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -110.55 102.46 11.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 75.120000000000005 110.924 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -114.54 175.94 5.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 75.310000000000002 110.883 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.89 -138.32 26.0 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.77 -0.728 . . . . 64.120000000000005 112.515 179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.38 114.57 24.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.759 0.314 . . . . 64.209999999999994 111.099 179.946 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 1.9 mp -121.89 108.14 21.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 74.209999999999994 111.134 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -132.76 119.95 39.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 71.25 111.129 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.25 -53.2 20.49 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 61.340000000000003 112.467 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . 0.562 ' N ' ' CD1' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -151.13 148.87 28.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.77 0.319 . . . . 70.439999999999998 110.936 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 16.3 mmm -124.0 118.33 26.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 73.209999999999994 110.877 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 84.4 t -111.02 115.96 51.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 75.219999999999999 111.123 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.42 -52.11 0.72 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 62.240000000000002 112.463 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.25 152.6 6.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 71.540000000000006 112.449 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 3.2 p -114.83 143.35 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 75.340000000000003 111.115 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 18.1 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 72.439999999999998 111.145 179.885 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.82 0.343 . . . . 73.340000000000003 110.849 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.37 77.14 1.02 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 74.109999999999999 111.123 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -51.41 -49.57 61.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 73.040000000000006 110.879 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 16.8 m-85 -142.25 115.08 8.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 71.239999999999995 110.913 -179.974 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -133.37 108.6 8.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 74.349999999999994 110.843 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -112.2 128.07 56.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 75.319999999999993 110.884 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -131.22 100.96 5.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 73.140000000000001 110.864 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 10.9 t -157.09 127.87 6.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 74.25 110.84 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.99 -26.45 58.23 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.692 -0.766 . . . . 74.530000000000001 112.551 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -149.08 111.89 4.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.838 0.351 . . . . 73.129999999999995 110.947 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -104.43 126.77 51.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 74.530000000000001 110.87 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 24.7 t -133.37 114.04 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 75.349999999999994 111.127 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -119.66 131.1 55.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 74.129999999999995 110.865 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -134.98 122.96 22.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 74.340000000000003 110.837 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -132.93 132.87 42.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 70.129999999999995 110.897 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -125.27 115.28 20.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 75.349999999999994 110.896 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -121.95 107.02 11.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 71.219999999999999 110.925 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 27.9 m -114.9 125.84 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 70.319999999999993 111.123 179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . 0.412 ' CD1' ' N ' ' J' ' 19' ' ' PHE . 1.9 m-85 -102.51 108.95 20.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 74.540000000000006 110.91 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 59.35 89.71 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 74.439999999999998 110.884 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.63 130.56 55.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.505 . . . . 74.120000000000005 111.061 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.51 103.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 72.099999999999994 110.869 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 13.7 p -149.6 132.49 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 75.230000000000004 111.102 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.39 -46.56 93.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.722 . . . . 74.25 112.467 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 17.2 m -160.4 139.72 10.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 73.219999999999999 110.887 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 57.4 m-20 -109.26 101.69 10.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 73.030000000000001 110.871 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -114.77 176.74 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 73.230000000000004 110.909 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.38 -138.43 28.03 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 64.200000000000003 112.466 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.16 114.43 23.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.764 0.316 . . . . 72.400000000000006 111.085 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 2.1 mp -120.79 108.52 23.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 74.340000000000003 111.115 -180.0 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -130.89 117.06 36.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 72.340000000000003 111.116 179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.7 -49.75 33.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.743 . . . . 74.140000000000001 112.467 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . 0.494 ' N ' ' CD1' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -152.24 150.91 30.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.336 . . . . 72.540000000000006 110.898 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 22.7 mmm -128.91 118.44 22.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 75.239999999999995 110.854 179.845 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 90.8 t -116.98 115.75 49.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 72.120000000000005 111.098 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.4 -49.39 0.87 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 51.539999999999999 112.484 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 134.57 151.23 6.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.723 . . . . 73.439999999999998 112.506 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 p -115.61 142.72 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.93 0.395 . . . . 74.420000000000002 111.108 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 19.1 m . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 73.420000000000002 111.139 179.922 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.825 0.345 . . . . 75.140000000000001 110.845 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.71 75.54 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 71.219999999999999 111.112 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.64 -31.31 24.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 70.420000000000002 110.905 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -164.3 115.42 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 74.219999999999999 110.911 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -127.37 109.3 11.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 74.150000000000006 110.877 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -108.98 108.44 19.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 75.340000000000003 110.898 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -115.34 102.01 9.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 71.319999999999993 110.843 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.0 p -149.96 175.43 11.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 74.439999999999998 110.898 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.73 -28.22 55.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 72.340000000000003 112.518 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -173.94 149.06 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.357 . . . . 75.329999999999998 110.9 -179.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -108.1 119.36 39.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 72.409999999999997 110.912 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 97.9 t -134.58 113.99 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 71.319999999999993 111.115 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -128.95 122.09 29.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 72.310000000000002 110.819 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -129.1 125.78 37.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 63.240000000000002 110.859 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.49 136.2 52.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 74.329999999999998 110.934 -179.968 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -128.04 128.38 44.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 74.409999999999997 110.859 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.2 mt -126.23 108.2 11.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 73.109999999999999 110.929 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 28.3 m -115.23 119.22 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 71.310000000000002 111.153 179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -111.81 143.15 43.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 74.519999999999996 110.893 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 15.8 m-85 60.68 30.49 19.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 74.200000000000003 110.89 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.81 135.69 33.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 73.549999999999997 111.066 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 61.41 72.93 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 75.219999999999999 110.889 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.4 p -140.45 144.96 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 72.120000000000005 111.154 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.78 -58.96 5.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 74.099999999999994 112.464 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.4 m -159.66 141.79 13.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 72.049999999999997 110.879 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -108.26 107.33 17.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 72.430000000000007 110.877 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -114.77 163.34 15.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 74.25 110.894 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.69 -138.87 40.59 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.721 -0.752 . . . . 65.140000000000001 112.528 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.77 114.11 25.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.751 0.31 . . . . 75.319999999999993 111.098 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -129.76 130.28 66.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 73.230000000000004 111.142 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.3 mt -134.75 122.85 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 73.420000000000002 111.125 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.98 -59.07 7.82 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 73.0 112.484 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.587 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -160.33 152.93 20.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.347 . . . . 63.340000000000003 110.867 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -134.09 127.92 33.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 73.439999999999998 110.888 179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 38.2 t -121.6 114.7 44.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 72.230000000000004 111.106 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.28 36.23 74.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.789 -0.72 . . . . 74.129999999999995 112.473 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.4 -167.25 13.93 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 53.439999999999998 112.451 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.0 p -161.69 149.09 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 73.400000000000006 111.086 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 33.3 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 74.120000000000005 111.103 179.954 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.781 0.324 . . . . 70.049999999999997 110.851 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.95 77.32 1.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 71.200000000000003 111.111 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.8 -30.53 9.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.409999999999997 110.932 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -163.16 115.67 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 74.340000000000003 110.905 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -126.07 110.86 14.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 75.420000000000002 110.844 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -107.94 109.86 21.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 75.219999999999999 110.891 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -116.3 101.11 8.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 73.010000000000005 110.876 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 16.7 p -151.6 175.09 12.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 64.230000000000004 110.859 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.42 -28.91 54.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 62.25 112.508 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -174.25 147.56 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 74.439999999999998 110.94 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -104.47 119.98 40.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 63.030000000000001 110.893 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 88.4 t -133.85 113.39 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 71.420000000000002 111.175 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -129.48 123.83 32.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 75.219999999999999 110.825 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -129.07 129.71 45.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 74.030000000000001 110.882 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.01 135.45 49.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 65.400000000000006 110.908 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -125.15 129.65 50.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 75.510000000000005 110.937 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 8.0 mt -132.4 107.34 8.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 73.129999999999995 110.9 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 29.3 m -116.83 119.81 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 70.450000000000003 111.149 179.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -112.47 141.58 46.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 74.319999999999993 110.876 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 17.8 m-85 60.64 28.14 17.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 74.310000000000002 110.884 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.06 135.87 33.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 65.209999999999994 111.094 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 60.98 72.98 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 71.219999999999999 110.82 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 p -140.57 144.61 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 73.200000000000003 111.108 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.17 -57.77 6.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 71.340000000000003 112.505 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 36.4 m -160.39 141.23 11.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 71.099999999999994 110.855 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -108.95 107.53 17.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 72.219999999999999 110.89 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -114.37 163.49 15.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 74.230000000000004 110.868 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.24 -139.84 43.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 53.399999999999999 112.488 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.07 114.41 26.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.745 0.307 . . . . 71.299999999999997 111.131 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -128.62 128.41 67.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 74.409999999999997 111.146 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 12.5 mt -131.67 122.78 50.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 74.239999999999995 111.114 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.17 -58.31 9.91 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 74.319999999999993 112.451 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.569 ' N ' ' CD1' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -156.92 153.92 28.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 75.200000000000003 110.883 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.5 mtp -132.97 123.12 25.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 74.510000000000005 110.847 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 26.2 t -121.57 112.22 34.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 72.219999999999999 111.142 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 54.08 37.51 58.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 61.210000000000001 112.482 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.63 -167.52 14.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 72.209999999999994 112.513 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 12.4 p -160.55 148.42 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.338 . . . . 74.5 111.158 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 73.230000000000004 111.142 179.899 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.845 0.355 . . . . 71.299999999999997 110.838 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.37 75.69 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 71.310000000000002 111.089 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.28 -30.52 18.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 72.400000000000006 110.898 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -163.64 116.24 1.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 75.140000000000001 110.9 -179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -125.96 111.7 15.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 72.430000000000007 110.866 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -108.2 109.27 20.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 74.200000000000003 110.862 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -115.46 100.7 8.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 75.140000000000001 110.851 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 16.6 p -152.71 174.79 13.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 74.25 110.88 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.37 -28.15 53.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 72.150000000000006 112.532 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -174.71 147.77 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.871 0.367 . . . . 75.25 110.855 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -103.35 120.84 41.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 75.310000000000002 110.879 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 92.4 t -133.35 113.63 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 75.299999999999997 111.102 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -130.43 124.04 31.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 72.140000000000001 110.874 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -128.61 131.81 48.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 73.430000000000007 110.834 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.98 136.76 50.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 75.540000000000006 110.887 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -124.16 128.73 49.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 75.349999999999994 110.918 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 8.2 mt -135.69 106.26 6.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 73.019999999999996 110.943 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 26.2 m -117.69 120.77 65.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 72.140000000000001 111.159 179.848 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . 0.402 ' CD1' ' N ' ' C' ' 19' ' ' PHE . 1.3 m-85 -112.74 141.1 46.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.319999999999993 110.865 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 17.6 m-85 59.44 27.91 17.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 75.310000000000002 110.855 -179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.94 138.19 31.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 75.409999999999997 111.16 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 57.47 72.84 0.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 60.43 110.869 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 p -139.42 143.86 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 74.239999999999995 111.136 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.0 -57.98 6.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.731 . . . . 75.439999999999998 112.499 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 35.6 m -160.47 140.03 10.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 74.450000000000003 110.855 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -108.2 108.16 19.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 73.5 110.882 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -114.5 163.93 14.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 72.349999999999994 110.945 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.62 -140.98 42.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 52.509999999999998 112.497 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.27 114.18 26.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.757 0.313 . . . . 71.409999999999997 111.126 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -128.13 128.73 69.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 75.530000000000001 111.144 179.985 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.9 mt -130.53 122.09 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 74.030000000000001 111.134 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.75 -58.88 8.6 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.735 -0.745 . . . . 70.230000000000004 112.468 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.59 ' CD1' ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -155.78 151.13 26.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 74.129999999999995 110.917 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -130.02 122.53 28.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 75.230000000000004 110.858 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 33.6 t -122.66 111.42 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 75.420000000000002 111.114 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.91 38.37 46.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 74.219999999999999 112.479 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.59 -167.01 14.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 72.25 112.5 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 p -159.37 147.72 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.804 0.335 . . . . 74.310000000000002 111.186 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 72.040000000000006 111.112 179.916 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.787 0.327 . . . . 73.439999999999998 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.31 76.26 1.01 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 73.439999999999998 111.119 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.94 -29.98 22.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 72.150000000000006 110.87 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -163.01 115.68 1.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 74.140000000000001 110.876 -179.899 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -126.34 111.11 14.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 75.530000000000001 110.913 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -107.74 108.85 20.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 73.209999999999994 110.867 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -113.38 100.79 8.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 74.5 110.859 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 16.6 p -153.3 173.91 14.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 74.400000000000006 110.884 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.68 -27.82 49.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 64.219999999999999 112.51 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 26.4 p90 -173.69 148.32 1.48 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.839 0.352 . . . . 72.430000000000007 110.961 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -103.98 121.79 43.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 74.549999999999997 110.917 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 94.7 t -133.22 113.8 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 75.540000000000006 111.158 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -130.97 122.65 27.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 75.5 110.85 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -127.32 131.96 50.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 72.120000000000005 110.847 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.46 138.27 52.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 73.519999999999996 110.938 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -123.63 127.65 48.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 75.549999999999997 110.882 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 7.2 mt -139.23 106.85 5.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.040000000000006 110.901 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . 0.404 ' HA ' ' CG2' ' E' ' 18' ' ' VAL . 19.5 m -117.94 121.59 67.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 75.439999999999998 111.158 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' D' ' 19' ' ' PHE . 1.1 m-85 -111.93 139.27 47.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 75.230000000000004 110.879 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 15.2 m-85 58.54 27.46 15.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 72.310000000000002 110.899 -179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.71 139.92 30.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.497 . . . . 73.010000000000005 111.104 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 55.7 73.64 0.42 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 65.349999999999994 110.818 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 p -140.18 143.36 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 63.109999999999999 111.115 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.94 -57.85 6.72 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.698 -0.763 . . . . 53.310000000000002 112.486 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 36.2 m -160.28 139.63 10.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.357 . . . . 73.400000000000006 110.877 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -107.75 107.7 18.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 74.209999999999994 110.868 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -114.85 164.48 14.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 74.239999999999995 110.886 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.93 -141.69 42.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 62.140000000000001 112.461 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.25 114.18 26.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.728 0.299 . . . . 73.040000000000006 111.114 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -129.05 129.31 67.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 74.340000000000003 111.139 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 mt -129.36 122.65 56.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 70.439999999999998 111.121 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.82 -61.11 6.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.721 -0.752 . . . . 73.239999999999995 112.512 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.611 ' N ' ' CD1' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -153.58 148.93 27.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 74.209999999999994 110.922 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -129.39 122.25 29.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 71.329999999999998 110.92 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 32.6 t -125.1 110.81 25.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.431 . . . . 74.209999999999994 111.104 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.65 37.98 51.75 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.704 -0.76 . . . . 73.530000000000001 112.454 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.47 -165.95 14.25 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 65.430000000000007 112.463 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 11.5 p -158.98 148.17 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 74.019999999999996 111.161 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 73.409999999999997 111.139 179.915 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.808 0.337 . . . . 73.019999999999996 110.889 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.15 76.36 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 74.510000000000005 111.087 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.72 -30.27 21.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 72.140000000000001 110.9 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -162.99 116.65 1.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 74.519999999999996 110.89 -179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -125.97 110.73 13.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 73.409999999999997 110.894 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -107.09 108.98 20.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 72.400000000000006 110.889 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -111.06 100.62 9.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 70.400000000000006 110.872 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 16.7 p -155.88 169.1 25.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 74.340000000000003 110.811 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.51 -27.98 56.25 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.696 -0.764 . . . . 74.549999999999997 112.513 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 29.3 p90 -172.37 146.79 1.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.864 0.364 . . . . 75.340000000000003 110.908 -179.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -104.31 122.38 45.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 74.430000000000007 110.883 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 94.2 t -130.87 113.94 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 75.329999999999998 111.13 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -130.18 121.58 26.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 74.310000000000002 110.825 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -127.67 130.76 49.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 73.25 110.897 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.79 140.47 52.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 73.239999999999995 110.949 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -123.62 124.4 42.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 75.25 110.86 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 mt -141.19 105.22 4.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 75.209999999999994 110.905 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . 0.404 ' CG2' ' HA ' ' D' ' 18' ' ' VAL . 15.6 m -113.92 125.31 71.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 72.430000000000007 111.139 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' E' ' 19' ' ' PHE . 1.0 OUTLIER -112.0 140.38 46.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 74.409999999999997 110.894 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 53.12 27.62 6.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 74.299999999999997 110.853 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.87 140.82 29.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 72.400000000000006 111.069 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 55.23 75.42 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 71.430000000000007 110.875 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 p -141.28 142.7 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 60.229999999999997 111.114 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.18 -57.54 6.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 73.129999999999995 112.481 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 35.8 m -159.45 138.97 11.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 62.140000000000001 110.839 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -107.02 105.12 14.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 73.540000000000006 110.897 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -115.01 163.3 15.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 73.400000000000006 110.875 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.63 -142.11 45.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.691 -0.766 . . . . 72.420000000000002 112.51 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.57 114.39 26.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.775 0.321 . . . . 75.510000000000005 111.084 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -128.07 130.39 69.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 74.209999999999994 111.115 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 12.5 mt -128.6 120.45 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.099999999999994 111.147 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.75 -58.41 10.37 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 73.310000000000002 112.464 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.522 ' N ' ' CD1' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -153.64 151.58 29.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.8 0.333 . . . . 74.109999999999999 110.897 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.2 mtp -132.22 120.47 22.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 73.430000000000007 110.932 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 28.5 t -128.64 109.94 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 75.430000000000007 111.111 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.15 38.14 39.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 64.219999999999999 112.503 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.97 -165.04 13.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 54.420000000000002 112.465 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 p -158.33 147.86 8.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 73.120000000000005 111.128 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 35.3 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 71.120000000000005 111.155 179.899 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.843 0.354 . . . . 75.140000000000001 110.835 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.42 75.6 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 72.140000000000001 111.108 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.87 -30.89 25.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.400000000000006 110.898 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -163.88 115.39 1.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 73.099999999999994 110.924 -179.911 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 -126.77 109.91 12.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 74.219999999999999 110.861 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -108.6 108.23 19.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 74.400000000000006 110.842 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -114.8 102.03 9.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 73.129999999999995 110.877 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 17.2 p -150.21 175.24 11.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 73.439999999999998 110.888 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.96 -28.16 54.92 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.74 -0.743 . . . . 74.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 29.6 p90 -174.0 148.74 1.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 75.340000000000003 110.924 -179.812 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -107.67 119.2 38.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 61.340000000000003 110.833 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 98.1 t -134.56 113.95 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 72.150000000000006 111.145 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -128.87 121.85 29.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 74.129999999999995 110.871 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -129.03 125.92 38.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 75.019999999999996 110.847 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.15 135.82 51.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 72.310000000000002 110.84 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -127.52 128.15 45.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 73.109999999999999 110.907 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 7.8 mt -125.8 108.12 11.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 71.099999999999994 110.94 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 29.0 m -115.18 119.43 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 70.549999999999997 111.139 179.828 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 -111.78 142.96 43.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 71.230000000000004 110.853 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 60.86 30.05 19.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 72.049999999999997 110.919 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.66 136.29 33.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 75.540000000000006 111.098 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 61.11 73.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 72.430000000000007 110.893 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 6.8 p -140.91 145.53 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 73.430000000000007 111.127 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.87 -58.98 5.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 60.229999999999997 112.498 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 35.5 m -159.95 141.47 12.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.938 0.399 . . . . 74.25 110.852 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -107.46 107.14 17.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 65.25 110.87 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -114.58 163.38 15.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 73.310000000000002 110.906 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.71 -140.27 38.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 71.219999999999999 112.494 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.83 114.17 25.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 72.049999999999997 111.102 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -129.58 131.57 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 74.129999999999995 111.132 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 17.5 mt -135.39 122.73 36.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.349999999999994 111.13 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.75 -59.36 7.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 70.040000000000006 112.479 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.592 ' N ' ' CD1' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -160.13 153.0 21.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.789 0.328 . . . . 73.310000000000002 110.959 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -133.86 127.61 32.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.319999999999993 110.856 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 32.6 t -121.76 114.82 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 75.030000000000001 111.131 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.08 36.02 72.33 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 72.129999999999995 112.518 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.21 -167.29 14.01 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.793 -0.718 . . . . 71.109999999999999 112.486 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 15.0 p -161.68 149.43 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.887 0.375 . . . . 74.340000000000003 111.106 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 35.8 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 73.200000000000003 111.126 179.923 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.811 0.338 . . . . 75.019999999999996 110.857 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.58 76.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 72.430000000000007 111.054 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.61 -30.76 14.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 74.230000000000004 110.904 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -162.95 115.69 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 75.340000000000003 110.884 -179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 -125.52 111.35 14.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 73.120000000000005 110.857 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -108.13 109.33 20.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 73.25 110.834 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -115.58 100.99 8.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 60.109999999999999 110.93 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 17.0 p -151.61 174.94 12.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 73.109999999999999 110.901 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.44 -29.02 54.31 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 73.010000000000005 112.47 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 27.8 p90 -174.31 147.52 1.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.832 0.349 . . . . 65.219999999999999 110.964 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -103.98 119.8 39.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 71.519999999999996 110.913 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 88.1 t -133.76 113.41 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 65.510000000000005 111.138 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -129.57 123.79 32.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 75.340000000000003 110.872 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -128.85 129.75 45.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 71.109999999999999 110.856 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.06 135.1 49.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 71.409999999999997 110.908 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -125.05 129.03 49.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 74.129999999999995 110.899 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 7.9 mt -132.03 107.28 8.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 73.430000000000007 110.874 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 29.7 m -116.81 119.83 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 74.099999999999994 111.17 179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -112.35 141.59 45.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 74.439999999999998 110.851 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 60.53 28.42 18.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 74.200000000000003 110.901 -179.924 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.18 135.86 33.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 71.409999999999997 111.164 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 60.91 73.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 75.109999999999999 110.882 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 p -140.61 144.63 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 71.430000000000007 111.121 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.41 -58.45 5.98 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 73.299999999999997 112.516 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 35.2 m -159.31 140.38 12.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.389 . . . . 73.329999999999998 110.84 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -108.11 107.11 17.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 73.209999999999994 110.922 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -114.08 164.13 14.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 71.099999999999994 110.914 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.72 -141.37 39.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.692 -0.766 . . . . 73.530000000000001 112.499 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.16 114.09 25.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.726 0.298 . . . . 74.420000000000002 111.112 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -127.81 129.43 69.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 74.099999999999994 111.138 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 12.9 mt -132.41 122.44 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 75.409999999999997 111.115 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.85 -58.71 8.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 73.140000000000001 112.452 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.579 ' N ' ' CD1' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -156.53 153.96 29.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.79 0.328 . . . . 73.510000000000005 110.88 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 2.5 mtp -132.94 123.01 25.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 73.200000000000003 110.927 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 26.1 t -121.61 112.19 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 74.219999999999999 111.119 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 54.01 37.23 57.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 62.350000000000001 112.53 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.99 -167.28 14.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 64.150000000000006 112.481 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 12.9 p -160.69 148.58 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.884 0.373 . . . . 74.319999999999993 111.155 179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 34.9 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 62.450000000000003 111.166 179.937 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.88 0.371 . . . . 73.540000000000006 110.855 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.5 75.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 71.230000000000004 111.084 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.33 -30.85 19.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 74.140000000000001 110.899 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -162.92 115.85 1.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 73.25 110.907 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -125.64 111.4 14.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 72.129999999999995 110.83 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -107.91 108.78 20.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 75.319999999999993 110.853 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -114.69 100.51 8.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 75.409999999999997 110.901 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 16.9 p -152.63 174.55 13.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 62.140000000000001 110.827 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.44 -28.17 53.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.794 -0.717 . . . . 70.219999999999999 112.468 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 25.7 p90 -174.69 147.74 1.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.86 0.362 . . . . 70.239999999999995 110.929 -179.783 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -103.18 120.77 41.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 72.319999999999993 110.907 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 92.4 t -133.24 113.57 19.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 75.030000000000001 111.118 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -130.32 123.82 30.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 74.219999999999999 110.883 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -128.31 131.52 48.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 75.340000000000003 110.838 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.74 136.49 50.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 75.209999999999994 110.897 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -124.17 128.52 49.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 75.420000000000002 110.932 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 8.1 mt -135.73 106.32 6.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 75.439999999999998 110.923 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 25.9 m -117.74 120.98 66.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 75.140000000000001 111.083 179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . 0.425 ' N ' ' CD1' ' H' ' 19' ' ' PHE . 1.2 m-85 -112.8 141.11 46.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 60.200000000000003 110.88 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 17.5 m-85 59.37 27.81 17.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 72.430000000000007 110.846 -179.933 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.87 137.99 31.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 71.140000000000001 111.14 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 57.64 73.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 74.209999999999994 110.897 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 p -140.21 144.4 27.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 73.140000000000001 111.195 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.61 -58.13 6.09 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 74.329999999999998 112.514 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 35.3 m -159.82 139.82 11.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.9 0.381 . . . . 70.430000000000007 110.87 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -107.95 107.42 18.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 72.540000000000006 110.907 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -114.02 164.51 13.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 73.349999999999994 110.877 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.08 -142.14 39.3 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.748 -0.739 . . . . 64.549999999999997 112.446 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.93 114.22 25.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 74.019999999999996 111.057 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -127.92 129.43 69.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 72.519999999999996 111.14 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 12.2 mt -130.79 122.16 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 74.219999999999999 111.137 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.63 -59.07 8.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 54.0 112.499 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . 0.596 ' CD1' ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -155.38 150.98 27.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.744 0.307 . . . . 74.120000000000005 110.936 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -129.8 122.37 28.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 73.239999999999995 110.861 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 28.3 t -122.85 111.38 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 73.129999999999995 111.137 179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.02 37.83 46.0 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.751 . . . . 73.120000000000005 112.505 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.33 -167.09 14.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 64.450000000000003 112.499 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 12.4 p -159.52 147.72 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.89 0.376 . . . . 74.540000000000006 111.157 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 73.25 111.154 179.93 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.807 0.337 . . . . 73.329999999999998 110.871 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.11 75.57 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 62.130000000000003 111.123 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.79 -30.29 22.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 74.299999999999997 110.867 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -163.12 115.8 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 74.450000000000003 110.866 -179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -126.73 111.35 14.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 74.200000000000003 110.918 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -108.0 108.56 19.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 74.010000000000005 110.849 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -112.51 100.93 9.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 73.329999999999998 110.886 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 16.7 p -153.52 173.69 15.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 64.340000000000003 110.852 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.88 -27.7 49.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.753 . . . . 65.219999999999999 112.493 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 26.7 p90 -173.75 148.17 1.45 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.866 0.365 . . . . 75.209999999999994 110.932 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -103.94 121.93 44.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 75.510000000000005 110.885 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -133.29 113.69 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 64.219999999999999 111.074 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -130.73 122.51 27.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 72.140000000000001 110.895 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -126.93 131.92 50.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 64.129999999999995 110.902 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.35 138.06 52.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 64.420000000000002 110.892 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -123.73 127.47 48.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 70.319999999999993 110.85 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 7.3 mt -139.28 106.91 5.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 75.200000000000003 110.881 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . 0.408 ' HA ' ' CG2' ' J' ' 18' ' ' VAL . 20.0 m -118.05 121.65 67.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 72.209999999999994 111.151 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . 0.433 ' N ' ' CD1' ' I' ' 19' ' ' PHE . 1.1 m-85 -111.95 139.24 47.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 64.510000000000005 110.885 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 15.4 m-85 58.54 27.95 16.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 75.510000000000005 110.931 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.93 139.94 30.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 73.25 111.103 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 55.38 73.82 0.4 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 74.230000000000004 110.819 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 p -139.75 143.09 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 72.230000000000004 111.144 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.7 -58.47 6.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.775 -0.726 . . . . 74.209999999999994 112.504 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 36.4 m -159.5 138.6 11.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 75.430000000000007 110.833 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -107.1 106.78 17.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 73.129999999999995 110.872 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -114.32 165.25 12.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 75.540000000000006 110.852 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.57 -142.86 39.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.739 . . . . 73.450000000000003 112.473 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.91 113.94 26.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.794 0.331 . . . . 70.019999999999996 111.102 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -128.36 130.53 69.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 72.310000000000002 111.109 179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 12.2 mt -129.94 122.48 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 72.549999999999997 111.112 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.83 -61.29 6.2 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 64.239999999999995 112.507 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . 0.604 ' N ' ' CD1' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -153.37 148.55 26.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.34 . . . . 71.340000000000003 110.913 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -129.13 122.3 29.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 75.219999999999999 110.885 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 31.4 t -125.28 110.67 25.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 61.329999999999998 111.111 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.71 37.88 52.11 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.742 -0.742 . . . . 65.540000000000006 112.49 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.39 -166.08 14.34 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.752 -0.737 . . . . 71.329999999999998 112.455 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 p -159.2 148.22 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.351 . . . . 72.129999999999995 111.14 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 35.2 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 73.040000000000006 111.122 179.968 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.796 0.331 . . . . 62.25 110.901 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.52 76.11 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 63.119999999999997 111.054 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.6 -30.52 21.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 61.329999999999998 110.863 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -162.86 115.97 1.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 73.400000000000006 110.857 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -126.24 110.78 13.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 73.019999999999996 110.836 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -106.87 108.87 20.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 74.219999999999999 110.835 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -110.6 100.64 9.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 73.099999999999994 110.873 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 16.2 p -155.87 168.74 26.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 62.25 110.844 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.87 -28.37 56.87 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.778 -0.725 . . . . 73.120000000000005 112.475 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 28.4 p90 -172.47 146.81 1.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.869 0.366 . . . . 73.340000000000003 110.927 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -103.72 122.38 44.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 72.430000000000007 110.874 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 93.1 t -131.14 113.75 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 72.400000000000006 111.149 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -130.27 121.17 25.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 72.439999999999998 110.894 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -127.14 130.55 50.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 74.329999999999998 110.833 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.62 140.37 52.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 74.409999999999997 110.91 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -123.68 124.51 42.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 72.310000000000002 110.88 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 6.9 mt -141.15 105.17 4.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.420000000000002 110.922 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . 0.408 ' CG2' ' HA ' ' I' ' 18' ' ' VAL . 15.8 m -113.77 125.39 71.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 74.019999999999996 111.114 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . 0.441 ' CD1' ' N ' ' J' ' 19' ' ' PHE . 1.0 OUTLIER -112.1 140.71 46.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 74.349999999999994 110.933 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 52.88 27.7 5.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 74.400000000000006 110.842 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.89 140.65 29.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 74.200000000000003 111.109 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 55.38 76.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 75.010000000000005 110.848 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 p -141.72 142.2 28.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 65.409999999999997 111.126 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.88 -57.38 7.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.721 -0.752 . . . . 73.349999999999994 112.481 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 36.4 m -159.34 137.59 10.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.866 0.365 . . . . 64.400000000000006 110.839 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -106.7 104.48 14.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 72.219999999999999 110.873 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -114.81 164.18 14.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 73.299999999999997 110.887 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.8 -143.84 44.8 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.72 -0.752 . . . . 54.32 112.497 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.33 113.83 26.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 62.439999999999998 111.108 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -127.87 131.73 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 73.040000000000006 111.139 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 13.3 mt -128.39 120.84 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 63.530000000000001 111.125 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.72 -59.03 9.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 73.540000000000006 112.467 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . 0.54 ' N ' ' CD1' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -153.42 151.16 29.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 74.329999999999998 110.955 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 3.2 mtp -132.01 120.53 22.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 55.310000000000002 110.867 179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 25.5 t -128.66 109.95 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 74.510000000000005 111.158 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.4 37.79 40.65 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.766 -0.73 . . . . 70.200000000000003 112.512 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.97 -165.17 13.41 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 50.149999999999999 112.443 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 10.7 p -158.13 147.82 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.926 0.393 . . . . 74.019999999999996 111.138 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 34.9 m . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 64.010000000000005 111.151 179.924 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.846 0.355 . . . . 71.209999999999994 110.88 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.66 91.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 72.439999999999998 111.078 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -76.33 -25.81 55.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 71.310000000000002 110.905 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -162.86 115.1 1.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 72.049999999999997 110.858 -179.974 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -110.2 107.83 17.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 70.420000000000002 110.896 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -106.61 109.01 20.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 72.209999999999994 110.874 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -122.2 101.14 7.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 75.549999999999997 110.872 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.0 t -148.73 175.27 11.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 51.409999999999997 110.864 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.7 -12.13 33.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 73.140000000000001 112.497 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -171.64 119.06 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.892 0.377 . . . . 74.519999999999996 110.948 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -101.4 119.92 39.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 72.439999999999998 110.876 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.9 t -124.08 114.34 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 70.310000000000002 111.112 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -118.44 113.36 21.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 72.439999999999998 110.846 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -130.24 115.75 17.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 71.049999999999997 110.907 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.45 133.35 52.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 73.239999999999995 110.942 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -128.5 115.91 18.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 75.010000000000005 110.895 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -115.55 111.49 20.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 62.130000000000003 110.896 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.4 m -115.75 120.08 63.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 74.439999999999998 111.145 179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.7 m-85 -103.48 111.56 24.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 74.239999999999995 110.854 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 57.17 77.59 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 70.040000000000006 110.877 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.01 125.08 50.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 73.099999999999994 111.084 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.4 83.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 73.420000000000002 110.905 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.3 p -123.83 141.44 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 75.0 111.151 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.02 -56.39 25.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 21.219999999999999 112.515 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.4 m -159.93 130.61 5.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 72.450000000000003 110.859 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -101.61 109.95 21.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 71.349999999999994 110.875 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.45 163.25 14.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 63.450000000000003 110.922 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.75 -140.67 47.22 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 51.420000000000002 112.45 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.12 113.26 20.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.751 0.31 . . . . 74.109999999999999 111.06 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 1.8 mm -98.85 107.76 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 73.450000000000003 111.133 179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.2 mt -136.78 108.8 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 72.010000000000005 111.136 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.42 -51.01 12.66 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 51.130000000000003 112.516 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.58 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -158.8 155.62 28.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.783 0.325 . . . . 73.129999999999995 110.91 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -129.76 122.85 29.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 73.530000000000001 110.893 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.6 t -130.36 114.56 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 75.439999999999998 111.159 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.93 19.65 56.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 73.319999999999993 112.441 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.39 172.46 15.03 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.736 -0.745 . . . . 73.120000000000005 112.499 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.8 p -142.96 144.83 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.38 . . . . 74.420000000000002 111.115 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 71.219999999999999 111.171 179.862 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.849 0.357 . . . . 72.239999999999995 110.882 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.43 92.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 65.219999999999999 111.121 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -76.86 -21.78 54.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 75.200000000000003 110.886 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -162.96 114.79 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 72.450000000000003 110.893 -179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -111.39 107.2 16.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 75.319999999999993 110.918 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -106.55 109.29 21.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 74.219999999999999 110.837 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -120.38 100.51 7.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 74.310000000000002 110.849 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 9.1 t -147.53 175.01 11.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 74.5 110.811 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.92 -11.94 33.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 74.329999999999998 112.524 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.13 119.11 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 63.109999999999999 110.907 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -101.3 120.18 39.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 65.109999999999999 110.914 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -124.19 115.08 43.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 73.109999999999999 111.175 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -118.74 113.53 21.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 74.430000000000007 110.818 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -128.97 116.96 20.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 73.420000000000002 110.859 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.45 133.12 51.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 72.439999999999998 110.876 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -127.86 116.79 20.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 75.319999999999993 110.937 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -119.07 110.92 17.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 70.349999999999994 110.935 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 26.9 m -117.01 120.8 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 74.049999999999997 111.086 179.876 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 -102.31 114.52 28.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 75.129999999999995 110.835 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 56.95 76.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 74.099999999999994 110.884 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.82 124.89 49.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 72.510000000000005 111.128 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.42 83.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 73.540000000000006 110.855 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 3.3 p -123.82 139.1 51.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 73.25 111.091 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.12 -55.59 29.37 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.754 . . . . 52.409999999999997 112.494 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 74.1 m -159.18 129.73 5.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.898 0.38 . . . . 73.329999999999998 110.865 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -101.92 108.94 20.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 74.430000000000007 110.9 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -110.98 162.97 14.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 73.450000000000003 110.913 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.09 -140.65 45.59 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.74 . . . . 64.420000000000002 112.454 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.43 113.35 20.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.737 0.303 . . . . 60.32 111.097 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 2.0 mm -100.35 108.02 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 73.329999999999998 111.125 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 mt -134.74 110.08 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 75.340000000000003 111.156 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.42 -52.42 7.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 70.0 112.478 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.562 ' N ' ' CD1' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -157.74 154.44 28.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.791 0.329 . . . . 74.409999999999997 110.942 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -125.99 121.09 32.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 71.129999999999995 110.864 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 94.4 t -132.52 114.99 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 73.430000000000007 111.125 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.77 21.08 42.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 74.319999999999993 112.479 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.81 172.82 15.54 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 63.509999999999998 112.481 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -142.67 143.63 25.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 73.010000000000005 111.132 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 34.4 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 62.409999999999997 111.098 179.924 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.856 0.36 . . . . 73.129999999999995 110.857 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.57 93.04 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.462 . . . . 61.420000000000002 111.133 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -75.29 -19.67 59.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 74.329999999999998 110.868 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -163.26 114.65 1.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 75.129999999999995 110.836 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -112.04 107.0 15.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 74.340000000000003 110.834 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -106.23 110.01 22.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 65.510000000000005 110.847 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -120.21 100.44 7.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 75.019999999999996 110.866 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 9.2 t -147.54 174.84 11.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 72.5 110.88 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.14 -11.99 32.68 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 73.140000000000001 112.477 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.38 119.08 0.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.861 0.362 . . . . 74.310000000000002 110.941 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -101.08 120.09 39.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 75.129999999999995 110.89 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 93.8 t -124.94 114.84 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 64.319999999999993 111.132 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -119.34 113.48 20.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 63.030000000000001 110.882 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -127.58 117.73 22.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 74.420000000000002 110.865 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.29 132.75 51.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 73.129999999999995 110.905 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -126.32 115.87 20.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 74.150000000000006 110.901 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -119.86 111.06 17.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.426 . . . . 75.049999999999997 110.932 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 29.5 m -118.24 121.3 66.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 72.510000000000005 111.098 179.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . 0.4 ' CD1' ' N ' ' C' ' 19' ' ' PHE . 2.9 m-30 -101.91 113.94 27.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 72.319999999999993 110.871 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 11.1 m-30 56.68 75.93 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 75.439999999999998 110.924 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.93 124.43 48.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 61.109999999999999 111.094 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.87 83.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 75.329999999999998 110.928 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 3.2 p -122.66 138.86 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 73.140000000000001 111.091 -179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.04 -55.98 27.24 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.763 -0.732 . . . . 63.509999999999998 112.448 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 73.9 m -159.08 128.95 5.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 73.349999999999994 110.869 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -102.65 109.14 20.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 65.219999999999999 110.889 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -110.56 162.81 14.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 75.329999999999998 110.911 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.9 -140.61 44.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 63.399999999999999 112.509 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.45 113.63 20.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.759 0.314 . . . . 71.519999999999996 111.084 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.8 mm -101.2 107.98 22.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 71.219999999999999 111.159 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.1 mt -133.44 111.0 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 75.209999999999994 111.154 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.5 -52.84 7.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.763 -0.732 . . . . 71.430000000000007 112.49 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.551 ' CD1' ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -156.34 154.06 29.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.33 . . . . 72.549999999999997 110.924 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -126.6 119.59 27.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 75.209999999999994 110.853 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 93.8 t -133.31 115.33 22.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 74.140000000000001 111.123 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.19 21.65 40.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 64.219999999999999 112.471 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.08 172.87 16.06 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 64.219999999999999 112.471 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 7.3 p -142.49 143.39 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.936 0.398 . . . . 71.299999999999997 111.137 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 34.9 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 63.340000000000003 111.11 179.961 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.83 0.348 . . . . 74.420000000000002 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.48 91.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 72.030000000000001 111.052 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -77.93 -17.94 56.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 73.010000000000005 110.893 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -162.86 114.69 1.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 74.109999999999999 110.889 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -112.6 107.18 15.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 73.319999999999993 110.85 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -106.41 110.12 22.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 71.510000000000005 110.847 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -119.19 100.36 7.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 73.430000000000007 110.87 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 8.9 t -147.82 174.58 11.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 72.310000000000002 110.882 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.23 -12.28 31.75 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.742 . . . . 74.319999999999993 112.479 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -172.26 119.93 0.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.874 0.368 . . . . 74.209999999999994 110.936 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -101.65 120.18 39.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 72.219999999999999 110.89 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 88.7 t -124.22 114.92 43.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 74.329999999999998 111.138 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -118.98 113.43 20.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 75.540000000000006 110.872 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -127.19 116.95 21.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 73.019999999999996 110.85 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.39 132.79 51.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 74.099999999999994 110.909 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -125.77 115.88 20.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 75.230000000000004 110.911 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -121.32 110.69 16.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 74.310000000000002 110.901 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 26.8 m -118.32 122.58 69.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 73.140000000000001 111.131 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 0.422 ' N ' ' CD1' ' D' ' 19' ' ' PHE . 2.0 m-30 -101.97 113.61 26.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 71.450000000000003 110.91 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 56.04 76.07 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 75.349999999999994 110.88 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.96 124.53 48.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 75.420000000000002 111.148 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.9 83.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 65.310000000000002 110.871 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 3.4 p -122.56 138.14 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 75.340000000000003 111.139 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.53 -55.26 30.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 70.030000000000001 112.527 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 73.5 m -159.79 127.16 4.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 62.539999999999999 110.864 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -102.61 110.31 22.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 73.319999999999993 110.882 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -111.08 162.54 14.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 74.530000000000001 110.905 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.01 -140.51 42.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 75.230000000000004 112.547 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.78 113.9 21.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.731 0.301 . . . . 71.030000000000001 111.106 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 1.7 mm -102.37 108.75 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 74.120000000000005 111.196 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 mt -132.68 112.99 19.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 73.140000000000001 111.129 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.92 -53.75 7.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 71.400000000000006 112.477 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.517 ' N ' ' CD1' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -154.89 152.95 30.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.827 0.346 . . . . 72.420000000000002 110.908 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 2.8 mtp -126.93 119.14 26.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 71.099999999999994 110.882 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 87.1 t -134.76 114.77 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 72.540000000000006 111.121 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.53 22.03 44.17 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.709 -0.758 . . . . 63.25 112.458 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.66 173.59 17.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 60.240000000000002 112.496 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.21 143.85 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.882 0.372 . . . . 70.120000000000005 111.132 -179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 34.9 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 73.439999999999998 111.162 179.89 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.846 0.355 . . . . 75.409999999999997 110.875 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.83 95.41 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 75.450000000000003 111.124 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -75.41 -20.2 59.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 71.420000000000002 110.852 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -161.47 116.77 2.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 74.200000000000003 110.886 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -110.02 107.73 17.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 74.420000000000002 110.88 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -106.0 111.96 24.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 72.420000000000002 110.882 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -118.99 100.81 7.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 70.150000000000006 110.866 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 9.1 t -148.99 173.54 13.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 72.030000000000001 110.862 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.25 -12.68 33.01 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 72.230000000000004 112.468 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.11 120.07 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 75.129999999999995 110.923 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -101.91 120.42 40.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 72.010000000000005 110.925 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 98.0 t -123.31 114.76 43.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 73.109999999999999 111.135 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -119.19 113.8 21.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 74.230000000000004 110.875 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -127.7 117.21 21.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 71.439999999999998 110.844 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.01 133.34 50.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 74.219999999999999 110.879 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -124.96 115.06 19.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 65.400000000000006 110.907 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -121.72 107.93 12.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 71.310000000000002 110.916 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 30.2 m -115.27 123.71 71.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 64.340000000000003 111.127 179.856 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' E' ' 19' ' ' PHE . 1.3 m-85 -102.12 111.06 23.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 73.329999999999998 110.878 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 13.0 m-30 57.99 75.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 74.439999999999998 110.86 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.5 125.12 49.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 74.239999999999995 111.066 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.94 83.42 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 75.329999999999998 110.858 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 3.4 p -122.48 137.34 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 74.439999999999998 111.158 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.76 -55.2 29.89 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 34.229999999999997 112.494 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 73.4 m -159.54 125.18 4.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 72.299999999999997 110.859 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -102.18 112.54 25.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 75.319999999999993 110.89 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -112.53 164.08 13.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 75.340000000000003 110.928 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.86 -141.19 43.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 73.409999999999997 112.503 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.85 114.02 21.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.712 0.291 . . . . 62.100000000000001 111.142 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 1.8 mm -101.24 108.33 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 73.129999999999995 111.133 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 mt -129.38 112.88 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 74.439999999999998 111.136 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.04 -51.29 11.29 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 61.43 112.468 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.479 ' N ' ' CD1' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -154.91 154.42 32.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 65.439999999999998 110.899 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.2 mtp -130.96 118.43 20.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 73.140000000000001 110.859 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 94.1 t -138.43 114.96 10.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 75.530000000000001 111.129 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.78 21.93 38.61 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 70.030000000000001 112.478 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.14 173.99 17.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 74.319999999999993 112.532 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -142.12 143.52 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 73.010000000000005 111.125 -179.962 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 35.7 m . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 74.329999999999998 111.136 179.908 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.811 0.339 . . . . 72.019999999999996 110.863 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.59 92.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 71.329999999999998 111.128 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 25.4 mm-40 -76.26 -23.99 54.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 75.409999999999997 110.903 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.49 115.3 4.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 75.430000000000007 110.847 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -108.35 108.96 20.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 74.439999999999998 110.878 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -106.84 108.35 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 75.120000000000005 110.874 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -118.92 106.31 12.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 75.510000000000005 110.869 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 9.2 t -145.99 174.08 11.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 72.150000000000006 110.871 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.41 -13.52 32.73 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.716 -0.754 . . . . 60.439999999999998 112.493 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.46 119.92 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.853 0.359 . . . . 74.219999999999999 110.912 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -102.84 120.0 39.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 73.040000000000006 110.9 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 94.2 t -122.86 114.1 40.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 52.229999999999997 111.121 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -118.03 113.65 21.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 72.329999999999998 110.911 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -131.18 114.3 14.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 74.430000000000007 110.795 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.96 133.69 52.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 74.230000000000004 110.887 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -129.3 115.52 17.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 74.209999999999994 110.892 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -114.58 111.3 21.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 74.519999999999996 110.957 179.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 26.9 m -115.78 120.57 65.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 72.329999999999998 111.116 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -102.8 112.56 25.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 73.230000000000004 110.86 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 56.84 75.56 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 75.540000000000006 110.823 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.64 126.08 51.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 74.230000000000004 111.1 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.53 82.13 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 74.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 5.0 p -122.82 140.57 46.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 73.120000000000005 111.109 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.4 -55.81 27.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.791 -0.718 . . . . 74.439999999999998 112.455 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 75.6 m -161.73 129.43 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 72.109999999999999 110.836 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 1.9 m120 -100.39 107.35 19.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 74.299999999999997 110.882 -179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.69 162.15 16.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 74.319999999999993 110.878 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.83 -140.11 43.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.751 . . . . 53.329999999999998 112.478 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.22 113.69 20.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.768 0.318 . . . . 54.100000000000001 111.099 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 2.3 mm -101.62 111.82 32.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 75.310000000000002 111.153 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 13.2 mt -138.71 108.68 4.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 73.430000000000007 111.144 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.27 -52.17 10.81 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 70.099999999999994 112.467 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.574 ' N ' ' CD1' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -160.4 156.31 25.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.762 0.315 . . . . 73.349999999999994 110.913 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.8 mtp -130.38 122.65 28.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 62.329999999999998 110.897 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 94.4 t -130.49 116.12 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 71.109999999999999 111.146 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.21 19.67 52.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 71.219999999999999 112.485 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.91 173.14 15.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.747 . . . . 74.109999999999999 112.488 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 7.8 p -142.97 145.35 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 75.299999999999997 111.144 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 34.9 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 75.329999999999998 111.128 179.943 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.802 0.334 . . . . 73.010000000000005 110.9 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.96 93.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 61.229999999999997 111.094 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 28.2 mm-40 -73.94 -23.7 59.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 75.030000000000001 110.91 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.77 115.21 4.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 71.519999999999996 110.866 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -107.54 109.11 20.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 74.439999999999998 110.88 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -105.39 108.85 20.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 72.540000000000006 110.868 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -117.9 105.01 11.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 73.439999999999998 110.893 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 9.0 t -145.92 173.89 11.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 72.329999999999998 110.861 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.08 -13.2 32.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 51.420000000000002 112.488 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.6 119.28 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 75.430000000000007 110.895 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -101.47 119.62 39.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 71.25 110.921 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 90.5 t -122.7 114.32 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 73.049999999999997 111.142 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -118.24 113.84 22.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 74.420000000000002 110.878 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -130.06 115.89 17.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 73.319999999999993 110.838 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.5 132.79 51.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 71.239999999999995 110.957 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -127.64 116.27 20.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 75.400000000000006 110.93 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -117.67 111.52 19.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 73.129999999999995 110.927 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 33.8 m -117.7 121.47 67.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 73.109999999999999 111.132 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 -102.13 114.17 28.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 70.409999999999997 110.839 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 11.1 m-30 57.16 75.49 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 71.239999999999995 110.874 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.88 126.21 50.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 72.219999999999999 111.118 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.49 82.11 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 64.129999999999995 110.854 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 p -123.1 138.63 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 74.430000000000007 111.138 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.99 -54.9 33.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.748 . . . . 62.119999999999997 112.491 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 75.4 m -161.63 128.71 3.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.909 0.385 . . . . 73.140000000000001 110.845 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 2.0 m120 -100.78 106.96 18.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 72.400000000000006 110.901 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -111.34 161.14 16.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 72.439999999999998 110.925 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.24 -140.78 42.01 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.757 -0.735 . . . . 73.439999999999998 112.517 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.28 114.02 21.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.731 0.301 . . . . 64.540000000000006 111.082 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 2.3 mm -102.88 112.56 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 62.420000000000002 111.105 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 11.1 mt -136.43 110.22 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 74.120000000000005 111.134 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.04 -53.35 9.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.684 -0.77 . . . . 63.520000000000003 112.48 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.565 ' N ' ' CD1' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -158.05 154.89 28.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.785 0.326 . . . . 75.030000000000001 110.902 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -127.5 120.95 29.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 75.310000000000002 110.894 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 92.3 t -132.41 115.6 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 71.409999999999997 111.175 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.16 20.47 43.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 73.510000000000005 112.551 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.73 172.77 15.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 63.100000000000001 112.505 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -142.63 144.5 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.362 . . . . 74.230000000000004 111.119 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 35.3 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 72.349999999999994 111.121 179.924 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.814 0.34 . . . . 73.109999999999999 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.45 94.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 73.400000000000006 111.081 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 31.2 mm-40 -75.87 -22.99 55.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 53.439999999999998 110.839 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.28 115.71 5.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 72.239999999999995 110.928 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -107.53 109.14 20.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 75.329999999999998 110.903 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -105.0 109.13 21.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 74.519999999999996 110.867 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -117.33 103.88 10.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 75.409999999999997 110.848 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 9.0 t -145.62 173.77 11.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 73.5 110.868 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.58 -12.92 31.57 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 62.5 112.501 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.44 119.88 0.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 72.129999999999995 110.918 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -101.29 119.99 39.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 74.329999999999998 110.898 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 92.2 t -123.51 114.33 41.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 64.150000000000006 111.131 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -119.12 113.45 20.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 74.019999999999996 110.879 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -128.9 116.11 18.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 74.129999999999995 110.845 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.42 132.57 51.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 74.230000000000004 110.923 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -126.3 116.6 21.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 74.129999999999995 110.937 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -119.56 111.48 18.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 74.439999999999998 110.932 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 33.0 m -118.76 121.82 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 71.400000000000006 111.132 179.84 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 m-30 -101.76 113.4 26.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 75.019999999999996 110.867 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 11.3 m-30 56.56 74.85 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 70.349999999999994 110.893 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.99 125.89 49.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 70.150000000000006 111.131 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.92 82.34 0.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 72.439999999999998 110.92 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 p -122.67 138.56 52.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 74.019999999999996 111.15 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.2 -55.58 29.62 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.749 -0.739 . . . . 71.409999999999997 112.482 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 74.5 m -161.8 127.29 3.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.915 0.388 . . . . 65.530000000000001 110.867 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -100.49 107.56 19.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 75.329999999999998 110.856 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -111.31 161.14 16.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 74.430000000000007 110.913 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.87 -141.41 41.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.723 -0.751 . . . . 71.209999999999994 112.539 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.87 113.97 20.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.735 0.302 . . . . 73.019999999999996 111.099 179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 2.4 mm -103.46 113.21 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 73.010000000000005 111.136 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 9.5 mt -135.21 110.96 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 73.340000000000003 111.107 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.25 -54.06 8.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 74.430000000000007 112.498 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . 0.557 ' CD1' ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -156.34 153.89 29.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.783 0.325 . . . . 74.430000000000007 110.939 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -127.05 119.5 26.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 75.239999999999995 110.852 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 93.4 t -133.27 115.6 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 73.310000000000002 111.15 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.35 21.36 40.34 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 72.099999999999994 112.499 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.52 173.3 16.16 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 70.299999999999997 112.452 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -142.91 144.11 24.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.852 0.358 . . . . 73.129999999999995 111.14 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 35.1 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 72.140000000000001 111.135 179.917 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.803 0.335 . . . . 72.299999999999997 110.867 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.39 93.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 70.030000000000001 111.134 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -77.15 -20.15 55.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 74.099999999999994 110.949 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -150.93 116.31 5.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 73.230000000000004 110.938 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -107.19 108.91 20.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 73.439999999999998 110.872 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -105.68 108.98 20.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 74.420000000000002 110.891 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -117.25 104.5 11.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 71.400000000000006 110.893 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 8.9 t -146.35 173.51 12.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 71.319999999999993 110.885 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.48 -13.36 30.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 72.299999999999997 112.499 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -172.48 119.79 0.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 75.109999999999999 110.926 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -100.58 119.98 39.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 72.409999999999997 110.869 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 90.3 t -123.44 114.21 40.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 73.540000000000006 111.142 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -119.1 113.51 21.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 74.219999999999999 110.895 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -128.88 116.12 18.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 75.219999999999999 110.831 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.74 132.75 51.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 74.439999999999998 110.949 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -125.08 116.4 22.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.540000000000006 110.914 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -120.78 110.83 16.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.276 -0.42 . . . . 72.349999999999994 110.937 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 28.8 m -118.4 122.9 70.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 74.299999999999997 111.167 179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . 0.415 ' N ' ' CD1' ' I' ' 19' ' ' PHE . 2.2 m-30 -101.88 112.38 24.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 74.409999999999997 110.879 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 12.0 m-30 56.45 74.07 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 74.400000000000006 110.917 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.02 126.1 50.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 72.219999999999999 111.084 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.37 81.2 0.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 74.010000000000005 110.904 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 p -121.85 138.21 52.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 73.450000000000003 111.079 -179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.55 -55.65 29.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 73.239999999999995 112.457 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 74.4 m -161.82 125.47 3.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.371 . . . . 65.129999999999995 110.828 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -100.65 107.24 18.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 72.310000000000002 110.89 -179.999 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -111.87 161.54 16.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 74.140000000000001 110.883 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.41 -140.83 37.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.796 -0.716 . . . . 63.240000000000002 112.49 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.08 113.68 20.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.747 0.308 . . . . 62.399999999999999 111.126 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 2.3 mm -104.89 113.22 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 74.329999999999998 111.128 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 8.2 mt -133.99 112.3 16.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 72.25 111.105 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.39 -55.16 8.05 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 74.420000000000002 112.489 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . 0.52 ' N ' ' CD1' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -155.36 152.97 29.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 74.25 110.936 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.8 mtp -127.44 118.91 24.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 72.010000000000005 110.917 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 88.2 t -134.24 114.74 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 73.340000000000003 111.147 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.25 22.27 43.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 71.219999999999999 112.524 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.24 173.84 16.89 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.741 . . . . 52.130000000000003 112.455 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 7.4 p -142.51 143.89 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 72.120000000000005 111.125 -179.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 34.7 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 65.310000000000002 111.165 179.918 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.834 0.349 . . . . 74.319999999999993 110.877 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.44 94.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 70.129999999999995 111.125 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -73.34 -21.36 60.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 73.25 110.848 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.97 116.68 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 73.049999999999997 110.867 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -107.23 108.93 20.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 73.129999999999995 110.903 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -104.78 110.2 22.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 74.219999999999999 110.898 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -117.17 103.3 10.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 72.329999999999998 110.873 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 8.8 t -146.39 172.4 13.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 75.120000000000005 110.901 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.06 -13.4 33.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 54.509999999999998 112.494 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.35 119.8 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.795 0.331 . . . . 74.310000000000002 110.972 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -99.8 120.01 39.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 75.530000000000001 110.887 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 97.4 t -123.96 114.49 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.230000000000004 111.059 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -119.31 114.33 22.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 73.129999999999995 110.851 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -128.31 115.65 18.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 74.120000000000005 110.813 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.22 133.26 50.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 74.239999999999995 110.862 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -125.34 115.75 20.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 75.010000000000005 110.873 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -121.59 107.8 12.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 75.310000000000002 110.942 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 28.8 m -115.12 123.96 71.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 72.310000000000002 111.161 179.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . 0.432 ' CD1' ' N ' ' J' ' 19' ' ' PHE . 1.3 m-85 -102.21 110.33 22.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 75.430000000000007 110.909 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 13.2 m-30 57.59 74.55 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 65.430000000000007 110.89 -179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.85 125.89 50.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 74.409999999999997 111.106 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.01 81.8 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 73.209999999999994 110.862 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 p -121.09 138.08 52.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 75.319999999999993 111.101 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.62 -56.06 27.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.795 -0.717 . . . . 71.099999999999994 112.44 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 74.8 m -162.0 121.63 2.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.896 0.379 . . . . 75.140000000000001 110.883 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 2.2 m120 -100.98 108.42 20.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 74.230000000000004 110.926 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -112.37 163.88 13.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 74.540000000000006 110.921 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.72 -141.32 38.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 74.040000000000006 112.544 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.24 113.83 20.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 75.120000000000005 111.081 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 2.1 mm -104.53 113.76 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 74.299999999999997 111.136 179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 6.9 mt -130.71 111.61 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 73.0 111.124 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.35 -53.14 12.37 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 64.219999999999999 112.448 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . 0.483 ' N ' ' CD1' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -154.8 153.62 31.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.779 0.323 . . . . 73.319999999999993 110.927 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 3.1 mtp -131.24 118.25 20.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 73.340000000000003 110.88 179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 84.1 t -138.25 114.73 10.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 73.439999999999998 111.104 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.33 21.72 41.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.807 -0.711 . . . . 72.420000000000002 112.444 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.97 174.18 18.13 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 74.0 112.514 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -141.61 142.93 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 75.230000000000004 111.14 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 35.7 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 70.040000000000006 111.157 179.898 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.822 0.344 . . . . 72.239999999999995 110.875 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.62 98.34 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 65.329999999999998 111.107 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.8 mp0 -52.29 -29.69 24.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 71.450000000000003 110.903 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -150.58 112.66 4.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 75.430000000000007 110.939 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.9 108.41 6.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 74.450000000000003 110.897 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -114.69 129.22 56.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 75.109999999999999 110.846 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -133.42 101.7 5.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 64.439999999999998 110.841 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 90.3 p -152.87 128.34 9.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 73.450000000000003 110.8 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.03 -27.47 10.48 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.69 -0.766 . . . . 64.120000000000005 112.524 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.47 114.91 5.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.872 0.368 . . . . 71.209999999999994 110.881 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -114.25 119.67 37.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 71.239999999999995 110.835 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.7 t -136.16 119.54 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 73.5 111.103 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -121.54 112.38 18.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 74.230000000000004 110.858 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -119.19 123.94 45.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 74.329999999999998 110.871 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -126.17 135.92 52.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 75.219999999999999 110.925 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -132.32 121.83 24.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 74.329999999999998 110.921 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -113.52 107.01 15.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 74.209999999999994 110.882 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 18.6 t -105.81 109.54 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 74.200000000000003 111.127 179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -102.26 111.45 23.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 74.310000000000002 110.912 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 54.29 90.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 75.450000000000003 110.924 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.46 147.77 43.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 52.200000000000003 111.097 179.933 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 53.11 82.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 73.439999999999998 110.867 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.8 p -132.14 128.3 58.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 64.430000000000007 111.12 -179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.33 -47.0 63.12 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 70.230000000000004 112.467 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.2 m -164.29 135.79 4.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 75.310000000000002 110.846 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 13.6 m120 -107.18 103.31 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 73.099999999999994 110.886 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 tptp -114.06 154.26 28.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 72.540000000000006 110.92 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.82 -139.79 26.85 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.743 . . . . 72.510000000000005 112.521 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.77 114.16 24.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.768 0.318 . . . . 74.409999999999997 111.122 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -112.83 109.01 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 72.510000000000005 111.132 180.0 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.0 mt -131.77 108.9 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 72.140000000000001 111.124 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.31 -49.23 20.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 71.409999999999997 112.504 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.577 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -158.36 153.72 25.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.323 . . . . 74.450000000000003 110.91 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.01 121.93 34.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 71.420000000000002 110.867 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 89.9 t -125.45 112.04 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 72.040000000000006 111.144 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.92 15.51 49.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 61.140000000000001 112.453 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.01 154.43 23.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 74.409999999999997 112.48 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 15.8 m -128.57 -176.49 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 64.109999999999999 111.124 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 75.329999999999998 111.15 179.888 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.814 0.34 . . . . 75.129999999999995 110.921 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.25 98.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 73.409999999999997 111.056 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 39.9 mp0 -53.06 -28.25 23.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 73.219999999999999 110.862 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -151.72 112.16 4.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 74.319999999999993 110.86 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.4 108.55 8.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 73.430000000000007 110.885 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -115.01 129.05 56.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 74.109999999999999 110.877 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -133.8 102.31 5.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 74.510000000000005 110.884 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' C' ' 8' ' ' SER . 88.8 p -154.49 127.67 8.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 75.299999999999997 110.847 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.85 -26.3 10.83 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 71.310000000000002 112.491 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.31 112.83 5.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.826 0.346 . . . . 75.129999999999995 110.961 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -111.31 119.95 40.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 71.230000000000004 110.859 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 31.3 t -134.36 121.42 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 73.219999999999999 111.141 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -121.46 112.54 18.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 74.25 110.838 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -116.04 123.79 48.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 74.299999999999997 110.861 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -125.2 132.07 53.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 75.140000000000001 110.874 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -128.97 122.28 29.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 73.540000000000006 110.895 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -116.75 102.12 9.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 65.219999999999999 110.933 179.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 18.2 t -102.66 108.86 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 73.040000000000006 111.135 179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 9.8 m-30 -102.79 108.85 20.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 73.409999999999997 110.849 -179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 8.5 m-30 56.01 90.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 73.040000000000006 110.889 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.72 148.15 42.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 71.310000000000002 111.093 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 53.06 82.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 71.25 110.882 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 p -133.41 127.4 53.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 75.530000000000001 111.119 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.9 -45.05 87.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 32.229999999999997 112.511 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 34.2 m -164.07 135.54 4.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 72.409999999999997 110.867 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 11.6 m120 -107.57 103.55 12.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 75.400000000000006 110.899 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -114.08 155.66 25.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.140000000000001 110.921 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.38 -139.03 26.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 65.329999999999998 112.498 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.55 114.04 24.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.76 0.314 . . . . 72.340000000000003 111.109 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -111.3 108.21 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 72.409999999999997 111.147 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 mt -131.14 109.42 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 71.420000000000002 111.157 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.58 -49.85 20.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 72.400000000000006 112.513 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.574 ' N ' ' CD1' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -156.2 151.87 27.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 64.140000000000001 110.902 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -124.07 119.84 30.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 74.319999999999993 110.906 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 86.3 t -127.55 112.12 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 64.140000000000001 111.143 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.53 17.86 42.17 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 62.32 112.524 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.35 154.68 22.54 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.798 -0.715 . . . . 74.439999999999998 112.523 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 11.4 m -126.83 -176.45 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.886 0.374 . . . . 74.200000000000003 111.105 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 74.120000000000005 111.161 179.892 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.853 0.359 . . . . 72.409999999999997 110.901 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.32 98.67 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.140000000000001 111.088 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 37.8 mp0 -52.41 -28.32 19.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 74.140000000000001 110.922 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -151.54 112.21 4.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 64.540000000000006 110.868 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.94 108.35 8.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 75.420000000000002 110.833 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -116.04 127.36 54.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 75.200000000000003 110.892 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -131.81 102.27 5.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 73.099999999999994 110.887 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 8' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' B' ' 8' ' ' SER . 89.3 p -154.3 127.28 8.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 73.450000000000003 110.879 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.12 -25.99 11.66 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.735 -0.745 . . . . 73.239999999999995 112.489 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.37 112.9 5.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.856 0.36 . . . . 75.129999999999995 110.928 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -109.9 119.7 40.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 73.450000000000003 110.873 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 33.2 t -133.46 121.31 41.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 71.230000000000004 111.103 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -121.62 112.76 18.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 75.120000000000005 110.836 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -115.6 123.03 47.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 72.25 110.84 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -124.13 131.54 53.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 72.540000000000006 110.936 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -127.79 123.21 34.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 71.340000000000003 110.861 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -119.79 100.81 7.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 74.010000000000005 110.927 179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 17.6 t -101.78 109.31 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 75.439999999999998 111.139 179.818 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 8.4 m-30 -102.77 106.77 17.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 73.329999999999998 110.886 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 56.81 90.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 74.439999999999998 110.855 -179.892 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.31 148.04 42.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 73.209999999999994 111.051 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 52.8 82.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 74.420000000000002 110.835 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 p -133.39 126.33 52.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 73.209999999999994 111.101 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.19 -44.79 84.03 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.741 . . . . 73.420000000000002 112.469 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 33.8 m -164.05 135.84 4.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 71.209999999999994 110.866 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 m120 -107.51 103.85 13.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 74.510000000000005 110.887 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -114.51 155.76 25.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 74.25 110.904 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.43 -139.1 26.13 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 60.210000000000001 112.471 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.34 113.8 24.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.725 0.298 . . . . 62.229999999999997 111.144 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -110.98 107.87 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 74.400000000000006 111.157 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -130.62 109.94 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 72.129999999999995 111.087 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.49 -50.21 18.92 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 72.239999999999995 112.452 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.567 ' N ' ' CD1' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -154.88 151.95 29.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 74.230000000000004 110.884 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -124.83 118.49 26.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 75.129999999999995 110.85 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 85.8 t -129.41 111.5 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 71.540000000000006 111.142 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.18 18.59 35.54 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 73.540000000000006 112.483 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.4 154.42 22.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 71.25 112.506 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 m -129.87 -175.81 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 72.349999999999994 111.109 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 72.439999999999998 111.103 179.89 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.861 0.363 . . . . 74.549999999999997 110.891 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.65 98.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 72.140000000000001 111.067 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 38.9 mp0 -52.79 -28.26 21.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 62.539999999999999 110.898 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -150.87 112.06 4.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 74.25 110.861 -179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.95 108.05 9.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 74.430000000000007 110.842 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -117.11 125.52 51.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 52.329999999999998 110.84 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -129.64 102.22 6.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 64.519999999999996 110.88 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 90.2 p -154.61 127.38 8.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 74.109999999999999 110.867 -179.758 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.99 -25.66 17.42 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.747 -0.739 . . . . 74.409999999999997 112.486 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.26 113.71 5.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.833 0.349 . . . . 73.420000000000002 110.961 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -109.37 120.04 41.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 73.420000000000002 110.863 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 31.8 t -132.79 121.43 44.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 74.140000000000001 111.109 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -122.1 112.49 18.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 74.340000000000003 110.868 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -115.2 124.39 51.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 72.129999999999995 110.861 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -125.16 131.28 53.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 75.439999999999998 110.914 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -126.3 122.25 34.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 75.540000000000006 110.878 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -121.49 100.72 7.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 74.209999999999994 110.937 179.909 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 21.1 t -102.23 109.7 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 74.329999999999998 111.163 179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 m-30 -101.96 105.07 15.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 74.519999999999996 110.863 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 57.09 90.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 74.349999999999994 110.887 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.24 147.95 42.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 73.450000000000003 111.107 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 53.17 82.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 60.100000000000001 110.865 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 p -133.57 126.13 51.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 52.32 111.155 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.28 -44.29 84.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.677 -0.773 . . . . 72.230000000000004 112.532 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 34.7 m -164.21 135.73 4.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.374 . . . . 71.329999999999998 110.912 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -107.07 103.29 12.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 73.239999999999995 110.887 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -114.26 156.47 24.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 74.510000000000005 110.861 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.13 -138.43 25.42 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.731 -0.747 . . . . 63.340000000000003 112.52 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.13 113.96 25.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 74.219999999999999 111.092 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -110.61 107.91 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 65.25 111.145 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 mt -130.32 110.35 18.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 72.349999999999994 111.119 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.76 -51.54 17.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 72.430000000000007 112.464 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.55 ' N ' ' CD1' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -152.81 150.76 29.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.759 0.314 . . . . 75.239999999999995 110.967 -179.883 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -124.97 117.57 24.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 74.450000000000003 110.87 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 93.3 t -132.68 111.09 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 75.219999999999999 111.181 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.67 17.36 41.34 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.722 -0.752 . . . . 64.420000000000002 112.447 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.84 156.81 23.03 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 74.329999999999998 112.488 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 5.7 m -131.51 -176.01 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.375 . . . . 73.329999999999998 111.161 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 18.0 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 75.319999999999993 111.122 179.912 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.797 0.332 . . . . 74.340000000000003 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.51 98.47 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 70.019999999999996 111.063 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 39.3 mp0 -52.83 -28.24 21.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 75.349999999999994 110.869 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 2.5 m-85 -150.46 113.84 4.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 72.129999999999995 110.888 -179.898 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.05 107.55 9.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 73.439999999999998 110.841 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -118.16 123.83 46.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 70.420000000000002 110.889 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -127.35 101.34 6.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 63.409999999999997 110.882 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 90.3 p -155.51 128.1 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 73.230000000000004 110.895 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.78 -23.45 37.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 74.409999999999997 112.485 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.87 113.24 5.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 74.450000000000003 110.884 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -109.41 120.22 41.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 74.109999999999999 110.874 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 34.5 t -132.54 122.52 47.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 75.030000000000001 111.131 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -122.32 112.82 18.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 71.340000000000003 110.856 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -113.33 127.7 56.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 63.340000000000003 110.845 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -128.56 132.68 48.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 75.140000000000001 110.923 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -127.62 120.44 28.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 74.040000000000006 110.905 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -122.69 100.97 7.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 75.540000000000006 110.887 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 17.2 t -100.93 111.52 30.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 73.209999999999994 111.099 179.853 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 8.9 m-30 -102.13 100.71 10.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 75.129999999999995 110.889 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 8.8 m-30 57.66 90.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 71.420000000000002 110.865 -179.929 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.16 149.97 40.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 53.340000000000003 111.105 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 51.57 82.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 75.549999999999997 110.892 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 7.0 p -132.92 124.92 51.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 75.349999999999994 111.166 -179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.22 -44.29 84.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 64.0 112.449 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 30.6 m -163.89 134.48 4.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 65.329999999999998 110.819 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 m120 -105.58 102.95 12.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.310000000000002 110.897 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -114.2 157.57 22.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 74.129999999999995 110.889 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.52 -138.49 26.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 74.129999999999995 112.473 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.51 113.76 25.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.765 0.317 . . . . 75.209999999999994 111.104 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -109.05 107.31 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 71.409999999999997 111.188 179.966 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 mt -127.59 109.87 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 74.310000000000002 111.119 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.76 -49.33 28.37 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 71.109999999999999 112.519 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.512 ' N ' ' CD1' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -153.11 151.0 29.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.841 0.353 . . . . 75.409999999999997 110.903 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -128.94 117.7 21.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 74.319999999999993 110.936 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 94.4 t -135.74 110.5 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 75.540000000000006 111.13 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.17 18.16 33.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.674 -0.774 . . . . 70.299999999999997 112.52 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.14 159.75 24.44 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.752 -0.737 . . . . 74.450000000000003 112.533 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 12.4 m -130.46 -175.66 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 70.409999999999997 111.113 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 75.219999999999999 111.105 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.781 0.324 . . . . 75.329999999999998 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.2 97.76 0.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 70.5 111.112 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 39.7 mp0 -52.51 -29.89 27.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 72.439999999999998 110.865 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -151.73 113.2 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 74.510000000000005 110.881 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.57 108.52 6.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 74.049999999999997 110.907 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -114.47 128.68 56.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 72.230000000000004 110.814 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -132.86 101.79 5.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 74.530000000000001 110.886 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 8' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' G' ' 8' ' ' SER . 91.0 p -152.68 128.15 9.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 72.099999999999994 110.862 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.5 -27.26 11.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 62.100000000000001 112.517 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.29 114.83 5.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.877 0.37 . . . . 62.439999999999998 110.907 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -113.66 119.65 38.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 72.450000000000003 110.921 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 31.0 t -133.73 120.7 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 71.450000000000003 111.099 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -121.2 112.62 18.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 73.120000000000005 110.87 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -121.15 122.09 39.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 72.340000000000003 110.887 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -125.85 134.54 51.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.219999999999999 110.947 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -131.62 122.38 25.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 75.299999999999997 110.898 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -115.17 106.3 13.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 75.140000000000001 110.905 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 19.0 t -105.26 109.89 29.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 74.409999999999997 111.103 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 11.7 m-30 -102.67 110.92 23.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 74.209999999999994 110.839 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 54.89 90.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 75.25 110.938 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.51 147.84 43.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 75.400000000000006 111.094 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 53.12 82.45 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 71.120000000000005 110.863 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 7.0 p -132.57 127.69 56.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 70.209999999999994 111.141 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.93 -46.94 67.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.671 -0.776 . . . . 74.439999999999998 112.546 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 34.0 m -164.0 134.7 4.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 74.439999999999998 110.872 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 13.2 m120 -104.82 104.01 13.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 75.430000000000007 110.842 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 tptp -113.25 155.0 25.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 73.230000000000004 110.935 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.7 -140.4 29.04 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.75 . . . . 71.239999999999995 112.458 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -87.91 113.97 24.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.324 . . . . 72.109999999999999 111.067 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -110.8 109.26 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 73.450000000000003 111.137 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mt -132.31 108.58 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 74.239999999999995 111.122 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.89 -49.8 16.54 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.688 -0.767 . . . . 54.140000000000001 112.468 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.577 ' N ' ' CD1' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -158.51 153.57 25.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.798 0.332 . . . . 72.120000000000005 110.965 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -125.74 121.27 32.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 73.319999999999993 110.839 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 87.8 t -124.53 111.74 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 75.340000000000003 111.076 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.16 15.9 46.22 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.729 -0.748 . . . . 75.5 112.48 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.87 153.45 22.21 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.79 -0.719 . . . . 70.099999999999994 112.489 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 15.5 m -128.87 -174.58 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.836 0.35 . . . . 73.200000000000003 111.108 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 18.5 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 72.200000000000003 111.142 179.918 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.79 0.329 . . . . 74.010000000000005 110.852 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.37 97.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 74.239999999999995 111.106 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 39.5 mp0 -52.56 -30.19 29.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 71.140000000000001 110.846 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -152.15 112.96 4.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 74.510000000000005 110.886 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.45 108.7 8.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 74.340000000000003 110.86 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -114.48 128.32 56.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 74.409999999999997 110.851 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -132.91 102.53 5.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 63.409999999999997 110.855 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 8' ' ' SER . . . . . 0.417 ' O ' ' HA ' ' H' ' 8' ' ' SER . 89.8 p -154.68 127.37 8.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 63.240000000000002 110.861 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.76 -26.63 11.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 73.530000000000001 112.481 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.09 112.86 5.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.813 0.339 . . . . 74.040000000000006 110.959 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -110.71 119.62 39.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 75.299999999999997 110.894 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 31.6 t -133.58 121.2 40.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 74.150000000000006 111.101 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -121.43 113.17 19.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 75.010000000000005 110.868 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -116.66 123.01 46.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 72.409999999999997 110.904 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -124.64 131.87 53.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 75.329999999999998 110.942 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -129.48 122.75 29.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 75.239999999999995 110.911 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -117.67 101.87 8.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 72.519999999999996 110.896 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 18.0 t -102.16 108.84 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 73.010000000000005 111.144 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 9.7 m-30 -102.74 108.52 19.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 73.510000000000005 110.939 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 8.3 m-30 56.5 90.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 74.299999999999997 110.886 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.29 148.65 42.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 73.340000000000003 111.063 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 53.01 82.81 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 75.430000000000007 110.831 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 p -133.61 126.85 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 71.230000000000004 111.178 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.73 -44.76 91.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 62.219999999999999 112.492 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 34.9 m -163.18 134.94 5.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.372 . . . . 75.219999999999999 110.868 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -106.52 103.46 12.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 74.140000000000001 110.909 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 tptp -113.46 156.85 22.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 75.310000000000002 110.887 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.24 -140.05 29.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.759 . . . . 61.539999999999999 112.463 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.43 113.85 24.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 74.129999999999995 111.083 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -109.41 108.07 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 73.420000000000002 111.123 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 mt -131.0 108.94 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 75.209999999999994 111.151 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.42 -49.99 19.03 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 65.219999999999999 112.455 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.57 ' N ' ' CD1' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -156.69 152.44 27.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.784 0.326 . . . . 75.329999999999998 110.93 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -124.39 119.4 29.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 75.310000000000002 110.846 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 86.5 t -126.51 111.72 27.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 74.239999999999995 111.105 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.44 18.36 36.41 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.685 -0.769 . . . . 54.109999999999999 112.492 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.33 153.5 21.58 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 72.409999999999997 112.479 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 11.1 m -127.18 -174.74 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 74.409999999999997 111.09 -179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 17.9 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 75.230000000000004 111.143 179.943 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.82 0.343 . . . . 71.430000000000007 110.868 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.54 98.14 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 73.239999999999995 111.083 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 39.8 mp0 -52.47 -29.55 25.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 75.209999999999994 110.923 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -151.84 112.73 4.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 75.140000000000001 110.828 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.13 108.44 8.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 74.129999999999995 110.852 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -115.76 126.9 54.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 73.400000000000006 110.857 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -131.35 102.63 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 74.150000000000006 110.849 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 8' ' ' SER . . . . . 0.417 ' HA ' ' O ' ' G' ' 8' ' ' SER . 90.4 p -154.45 127.32 8.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 61.310000000000002 110.866 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.91 -26.42 11.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 74.519999999999996 112.478 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.34 112.57 4.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.825 0.345 . . . . 71.030000000000001 110.94 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -109.09 119.83 40.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 72.340000000000003 110.922 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 32.0 t -133.51 121.38 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 73.340000000000003 111.157 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -121.63 113.17 19.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 73.040000000000006 110.867 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -115.98 123.03 46.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 74.25 110.911 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -124.37 131.48 53.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 75.109999999999999 110.927 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -127.96 122.55 32.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 75.219999999999999 110.907 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -119.52 100.65 7.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 74.239999999999995 110.877 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 18.5 t -101.57 109.19 25.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 72.010000000000005 111.144 179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 8.4 m-30 -102.5 106.57 17.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 74.230000000000004 110.889 -179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 8.5 m-30 57.24 90.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 74.329999999999998 110.861 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.54 148.24 42.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 63.5 111.096 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 53.05 82.7 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 72.239999999999995 110.839 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 6.4 p -133.53 126.0 51.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 71.329999999999998 111.134 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.92 -44.71 87.61 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 73.120000000000005 112.479 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 34.0 m -163.16 135.04 5.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.944 0.402 . . . . 63.409999999999997 110.829 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 10.9 m120 -106.17 103.21 12.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 73.109999999999999 110.92 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 tptp -113.63 156.93 22.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 74.209999999999994 110.901 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.28 -139.46 28.06 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.696 -0.764 . . . . 63.149999999999999 112.521 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.76 113.8 24.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.765 0.317 . . . . 74.329999999999998 111.061 -179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -109.34 107.9 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 72.420000000000002 111.18 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -130.93 109.64 16.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 72.349999999999994 111.132 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.58 -50.59 18.68 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 73.140000000000001 112.46 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . 0.566 ' N ' ' CD1' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -154.69 151.78 29.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 71.439999999999998 110.924 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -124.36 118.03 25.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 75.409999999999997 110.86 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 86.7 t -129.61 111.33 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 73.430000000000007 111.115 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.05 18.11 39.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.826 -0.702 . . . . 75.540000000000006 112.457 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.74 153.98 21.94 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 51.329999999999998 112.475 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . 0.413 HG22 HG13 ' I' ' 39' ' ' VAL . 5.3 m -130.49 -174.53 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 74.010000000000005 111.113 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 74.439999999999998 111.137 179.912 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.869 0.366 . . . . 74.150000000000006 110.866 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.4 98.22 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 64.519999999999996 111.089 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 40.4 mp0 -52.34 -29.93 26.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 74.239999999999995 110.854 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 2.7 m-85 -150.84 112.68 4.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 73.420000000000002 110.899 -179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.44 108.52 9.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.319999999999993 110.882 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -117.0 125.12 50.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 73.120000000000005 110.834 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -129.37 102.61 6.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 72.420000000000002 110.847 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 8' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' H' ' 8' ' ' SER . 89.0 p -154.91 127.19 7.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 73.340000000000003 110.853 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.97 -25.7 17.35 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.749 -0.739 . . . . 63.450000000000003 112.486 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.08 113.76 5.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.873 0.368 . . . . 73.420000000000002 110.881 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -109.24 119.84 40.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 75.319999999999993 110.885 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 32.1 t -133.39 120.86 40.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 74.120000000000005 111.105 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -121.9 113.15 19.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 73.340000000000003 110.875 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -115.27 124.06 50.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 73.25 110.858 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -124.95 131.41 53.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 72.420000000000002 110.929 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -126.53 122.43 35.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 71.409999999999997 110.875 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -121.56 100.61 7.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 73.5 110.889 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 20.9 t -102.29 109.86 27.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 73.230000000000004 111.113 179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 m-30 -102.06 104.96 15.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 75.420000000000002 110.878 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 8.5 m-30 57.34 90.56 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 75.409999999999997 110.881 -179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.74 148.84 42.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 73.200000000000003 111.112 179.934 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 52.78 82.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 73.409999999999997 110.856 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 p -133.41 125.87 51.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 75.319999999999993 111.166 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.98 -44.27 87.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 51.439999999999998 112.504 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 34.6 m -163.16 135.3 5.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 71.230000000000004 110.872 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 10.3 m120 -106.17 102.88 12.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 65.430000000000007 110.91 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 tptp -113.94 157.17 22.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 73.430000000000007 110.867 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.47 -139.59 28.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.707 -0.759 . . . . 72.519999999999996 112.512 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.78 113.65 24.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.75 0.309 . . . . 74.409999999999997 111.082 179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -109.13 107.97 24.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 64.140000000000001 111.157 179.954 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 mt -130.52 110.09 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 75.310000000000002 111.148 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.66 -51.9 16.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.761 . . . . 72.329999999999998 112.491 179.932 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . 0.552 ' N ' ' CD1' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -152.86 150.53 29.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.781 0.324 . . . . 72.019999999999996 110.937 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -124.55 117.74 25.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 73.209999999999994 110.891 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 92.5 t -132.02 111.14 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 72.040000000000006 111.103 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.71 17.6 35.23 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.75 . . . . 71.109999999999999 112.443 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.0 155.72 22.16 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 42.350000000000001 112.467 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . 0.413 HG13 HG22 ' H' ' 39' ' ' VAL . 5.3 m -132.35 -174.13 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 75.5 111.129 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 18.5 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 73.420000000000002 111.069 179.943 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.786 0.327 . . . . 75.349999999999994 110.846 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.96 98.12 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 74.450000000000003 111.05 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 39.4 mp0 -52.0 -29.66 21.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 75.540000000000006 110.916 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 2.6 m-85 -150.37 114.31 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 75.409999999999997 110.867 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.62 107.96 9.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 75.439999999999998 110.88 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -117.59 123.81 47.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 74.219999999999999 110.86 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -127.55 101.6 6.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 73.129999999999995 110.839 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 87.7 p -155.8 127.99 7.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 54.439999999999998 110.812 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.48 -23.81 36.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 73.420000000000002 112.478 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.86 113.55 5.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.833 0.349 . . . . 74.230000000000004 110.945 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -108.83 119.94 41.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 73.510000000000005 110.889 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 32.1 t -133.26 120.62 40.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 64.319999999999993 111.13 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -122.54 113.24 19.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 74.0 110.842 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -114.1 127.08 55.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 62.329999999999998 110.832 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -127.45 132.77 49.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 72.140000000000001 110.946 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 tttp -126.65 122.35 34.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 72.319999999999993 110.867 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -123.78 100.7 6.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 73.310000000000002 110.954 179.897 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 17.5 t -100.59 111.67 30.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 74.439999999999998 111.1 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -102.33 100.72 10.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 74.140000000000001 110.885 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 8.6 m-30 57.87 90.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 72.219999999999999 110.894 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.35 150.2 39.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 64.519999999999996 111.101 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 51.69 82.13 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 74.409999999999997 110.904 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 6.8 p -132.95 123.97 49.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 73.310000000000002 111.122 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.29 -43.21 84.37 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 71.319999999999993 112.5 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 34.2 m -163.91 134.02 4.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 75.430000000000007 110.876 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 9.7 m120 -105.06 102.26 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 74.209999999999994 110.93 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -113.95 158.22 21.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 65.140000000000001 110.882 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.93 -140.15 29.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 71.209999999999994 112.498 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -88.49 113.84 24.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 73.549999999999997 111.124 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -108.25 107.77 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 75.120000000000005 111.139 179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mt -128.03 109.39 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 74.109999999999999 111.115 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.81 -49.73 27.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.789 -0.72 . . . . 64.140000000000001 112.465 179.903 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . 0.517 ' N ' ' CD1' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -153.21 150.8 29.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.82 0.343 . . . . 75.239999999999995 110.928 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -128.93 117.4 20.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 72.450000000000003 110.888 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 90.5 t -134.82 110.08 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 75.209999999999994 111.143 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.37 18.31 28.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 44.009999999999998 112.521 -179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.88 156.68 22.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.734 . . . . 61.340000000000003 112.455 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 8.0 m -135.0 -175.26 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 74.129999999999995 111.135 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 74.099999999999994 111.143 179.909 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.835 0.35 . . . . 72.120000000000005 110.869 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.77 88.17 5.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 64.150000000000006 111.07 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -51.81 -33.25 34.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 75.319999999999993 110.907 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -168.59 124.27 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 73.400000000000006 110.867 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.0 mmm-85 -128.82 109.14 11.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 75.519999999999996 110.916 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -105.74 111.17 23.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 71.329999999999998 110.861 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -114.12 102.34 10.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 72.099999999999994 110.901 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 83.4 p -147.19 174.67 11.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 65.439999999999998 110.862 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.92 -22.65 5.58 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.7 -0.762 . . . . 50.420000000000002 112.449 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -151.29 101.95 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.841 0.353 . . . . 75.340000000000003 110.889 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.65 120.01 39.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 75.329999999999998 110.918 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.9 t -138.16 113.63 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 72.319999999999993 111.174 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -119.49 116.32 25.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 74.329999999999998 110.875 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -118.77 133.87 55.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 71.030000000000001 110.913 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.91 132.73 54.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 64.319999999999993 110.909 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -131.74 115.23 15.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 72.430000000000007 110.891 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -124.71 102.23 7.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 71.239999999999995 110.881 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -108.67 111.06 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 74.530000000000001 111.123 179.801 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -103.07 140.41 37.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 64.129999999999995 110.943 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 61.99 36.61 15.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 73.120000000000005 110.891 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.48 128.29 35.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 70.219999999999999 111.097 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.81 76.38 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 72.409999999999997 110.892 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.9 p -138.61 140.31 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 72.340000000000003 111.105 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.31 -46.21 94.21 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 72.040000000000006 112.511 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.07 147.58 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.382 . . . . 64.200000000000003 110.847 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -100.64 104.55 15.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.498 . . . . 73.329999999999998 110.914 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -114.15 158.9 20.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 75.540000000000006 110.873 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . 0.406 ' HA2' ' HB3' ' F' ' 3' ' ' GLU . . . 52.38 -136.19 35.87 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.757 -0.735 . . . . 71.120000000000005 112.485 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.59 113.05 25.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.722 0.296 . . . . 71.209999999999994 111.094 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -130.01 127.76 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 75.450000000000003 111.114 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.9 mt -133.39 119.42 34.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 73.340000000000003 111.12 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.56 -56.39 8.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 74.140000000000001 112.498 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.604 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -158.44 151.67 22.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 73.230000000000004 110.939 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.4 mtp -128.72 124.89 36.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 73.239999999999995 110.871 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 26.8 t -123.01 111.99 32.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 75.299999999999997 111.148 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.61 28.48 37.73 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 71.510000000000005 112.496 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.69 -163.87 26.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 62.240000000000002 112.477 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 9.7 p -163.94 146.0 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.88 0.371 . . . . 64.519999999999996 111.103 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 28.5 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 73.319999999999993 111.151 179.908 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.812 0.339 . . . . 70.310000000000002 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.24 89.55 4.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 61.420000000000002 111.09 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -51.49 -29.79 17.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 71.209999999999994 110.847 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -166.89 124.66 1.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.540000000000006 110.845 -179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 mmm-85 -127.18 108.76 11.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 74.150000000000006 110.848 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -106.73 109.36 21.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 73.120000000000005 110.805 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -114.32 101.59 9.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 72.450000000000003 110.866 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 83.5 p -146.31 174.43 11.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.310000000000002 110.921 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.04 -22.24 5.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 72.040000000000006 112.471 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -151.86 101.48 2.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 74.420000000000002 110.915 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.56 120.0 38.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 73.439999999999998 110.906 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 89.1 t -136.97 113.77 12.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 72.200000000000003 111.099 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -121.39 115.39 22.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 75.349999999999994 110.847 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -119.26 135.7 54.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 74.040000000000006 110.839 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.82 132.6 54.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 74.400000000000006 110.881 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -126.23 115.69 20.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 75.120000000000005 110.877 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.55 102.27 7.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 75.519999999999996 110.923 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 t -109.99 113.44 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 71.319999999999993 111.101 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -107.6 136.79 46.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 74.140000000000001 110.892 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 61.07 36.36 18.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 75.349999999999994 110.891 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.51 126.47 35.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.498 . . . . 71.230000000000004 111.08 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.47 78.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 73.230000000000004 110.899 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 p -139.59 140.19 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 75.140000000000001 111.113 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.85 -45.68 94.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 72.439999999999998 112.524 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.91 146.3 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.929 0.395 . . . . 62.229999999999997 110.826 -179.749 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 59.3 m-20 -100.55 105.06 16.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 74.109999999999999 110.886 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -114.61 160.0 19.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 74.430000000000007 110.899 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.76 -134.44 35.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 63.329999999999998 112.503 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.06 112.83 24.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 73.349999999999994 111.093 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -128.28 124.2 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.319999999999993 111.125 179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 8.0 mt -131.74 119.27 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 73.349999999999994 111.146 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.1 -56.97 10.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.798 -0.715 . . . . 73.439999999999998 112.486 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.594 ' N ' ' CD1' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -155.38 151.16 27.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.336 . . . . 54.210000000000001 110.922 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 7.6 mtp -129.23 122.78 30.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 71.319999999999993 110.89 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 39.0 t -122.97 111.88 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 75.129999999999995 111.143 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.15 30.0 22.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 73.150000000000006 112.507 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.43 -163.84 27.33 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 62.109999999999999 112.507 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 9.0 p -163.17 145.59 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 74.540000000000006 111.133 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 27.4 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 73.109999999999999 111.111 179.918 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.845 0.355 . . . . 74.140000000000001 110.819 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.84 88.66 5.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 64.310000000000002 111.103 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -52.82 -30.52 33.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 73.349999999999994 110.922 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -167.99 123.79 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 74.109999999999999 110.882 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -126.72 108.59 11.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 73.450000000000003 110.863 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -106.31 109.2 21.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 74.019999999999996 110.862 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -114.83 101.47 9.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 73.030000000000001 110.893 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 83.4 p -145.48 174.63 10.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 73.120000000000005 110.909 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.16 -22.42 5.58 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 62.420000000000002 112.497 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -151.9 100.66 2.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 61.43 110.967 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.93 120.17 39.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 72.099999999999994 110.915 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 90.8 t -136.5 113.85 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 75.319999999999993 111.074 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -121.12 114.15 21.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 73.209999999999994 110.869 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -118.98 136.6 54.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 64.010000000000005 110.841 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.53 133.28 54.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 75.120000000000005 110.907 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -123.76 115.61 21.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 74.319999999999993 110.904 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -127.93 102.73 6.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 74.209999999999994 110.903 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 1.3 t -111.97 114.46 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 71.230000000000004 111.088 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -107.94 136.37 47.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 73.140000000000001 110.885 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 59.9 36.95 21.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 71.109999999999999 110.891 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.72 127.57 35.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 73.439999999999998 111.092 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.85 80.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 73.150000000000006 110.883 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 6.4 p -139.01 139.67 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 75.519999999999996 111.16 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.24 -46.34 91.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 65.219999999999999 112.494 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.69 146.1 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.913 0.387 . . . . 73.010000000000005 110.849 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 51.4 m-20 -100.61 104.08 15.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 74.319999999999993 110.9 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -114.54 159.91 19.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 73.340000000000003 110.922 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.69 -135.55 38.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 52.140000000000001 112.427 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.71 112.53 24.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.331 . . . . 73.030000000000001 111.087 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -128.32 124.16 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 75.239999999999995 111.108 -179.995 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.6 mt -130.15 118.92 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 74.239999999999995 111.104 179.858 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.65 -57.23 9.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 62.420000000000002 112.496 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.6 ' N ' ' CD1' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -153.89 149.9 27.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 65.120000000000005 110.921 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 8.2 mtp -129.14 122.52 30.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 73.5 110.825 179.836 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 42.0 t -124.38 112.28 31.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 74.530000000000001 111.115 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.09 30.18 16.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 72.549999999999997 112.489 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.74 -163.66 28.03 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.696 -0.764 . . . . 71.310000000000002 112.517 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 7.9 p -162.62 144.95 3.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.844 0.354 . . . . 75.299999999999997 111.176 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 28.0 m . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 74.120000000000005 111.108 179.931 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.796 0.331 . . . . 72.140000000000001 110.879 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.59 88.32 5.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 74.230000000000004 111.095 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -52.82 -32.01 41.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 72.409999999999997 110.877 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -168.01 123.0 0.98 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 75.010000000000005 110.91 -179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -126.34 108.48 11.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 72.150000000000006 110.872 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -106.31 108.8 20.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 74.420000000000002 110.866 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -114.66 101.61 9.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 74.319999999999993 110.856 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 83.5 p -144.79 174.15 11.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 64.319999999999993 110.872 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.85 -22.26 5.74 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 71.120000000000005 112.483 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -152.12 99.63 2.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.358 . . . . 72.109999999999999 110.897 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -100.19 120.23 39.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 73.140000000000001 110.895 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 89.8 t -136.99 114.29 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 70.430000000000007 111.125 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -119.99 114.66 22.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 73.140000000000001 110.82 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -118.13 136.93 53.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 71.239999999999995 110.853 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.03 133.65 51.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 72.340000000000003 110.916 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -122.75 115.47 22.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 74.439999999999998 110.944 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -130.04 101.93 6.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 74.400000000000006 110.92 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.6 OUTLIER -112.17 117.04 54.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 63.520000000000003 111.118 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -108.89 136.25 48.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 73.349999999999994 110.901 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 18.7 m-85 58.55 35.76 24.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 74.030000000000001 110.872 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.44 127.78 36.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 75.129999999999995 111.074 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.49 79.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 72.319999999999993 110.852 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 p -138.82 139.6 40.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 75.340000000000003 111.118 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.82 -46.26 90.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 65.349999999999994 112.511 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.99 144.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.86 0.362 . . . . 74.420000000000002 110.89 -179.732 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 54.5 m-20 -99.27 103.39 15.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 75.019999999999996 110.855 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -114.58 160.2 19.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 74.409999999999997 110.89 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.88 -135.97 38.33 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.752 -0.737 . . . . 54.509999999999998 112.463 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.36 112.87 24.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.755 0.312 . . . . 52.420000000000002 111.104 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -128.85 125.15 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 74.25 111.104 -179.992 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 7.6 mt -129.42 118.96 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 73.430000000000007 111.119 179.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.08 -58.48 8.64 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.73 -0.748 . . . . 44.329999999999998 112.435 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.615 ' N ' ' CD1' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -152.1 147.49 26.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.866 0.365 . . . . 74.329999999999998 110.917 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 9.1 mtp -128.84 122.36 30.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 73.299999999999997 110.854 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 40.2 t -126.31 111.91 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 73.239999999999995 111.164 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.11 28.97 19.99 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 73.540000000000006 112.505 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.55 -163.83 29.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 51.219999999999999 112.506 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 9.1 p -162.17 145.06 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 72.25 111.102 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 28.8 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 71.140000000000001 111.179 179.87 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.851 0.358 . . . . 74.409999999999997 110.919 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.02 89.69 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 74.530000000000001 111.095 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -51.84 -30.54 24.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 73.420000000000002 110.881 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 t80 -166.61 125.58 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 73.239999999999995 110.87 -179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 7.6 mmm-85 -126.14 108.38 11.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 75.400000000000006 110.862 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -106.89 109.2 21.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 74.439999999999998 110.819 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -116.38 101.41 8.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 74.219999999999999 110.852 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 83.5 p -146.2 171.53 14.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 75.430000000000007 110.83 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.99 -21.15 6.44 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 70.200000000000003 112.488 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -151.06 98.6 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 74.120000000000005 110.958 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -100.23 120.12 39.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 75.420000000000002 110.906 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 84.0 t -137.4 114.22 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 73.25 111.107 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -119.24 113.66 21.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 70.150000000000006 110.819 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -118.1 135.68 54.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 75.299999999999997 110.789 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.84 137.91 52.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 74.319999999999993 110.908 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -123.93 114.81 20.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 75.109999999999999 110.861 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -130.54 101.44 5.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 74.150000000000006 110.931 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.89 120.86 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 72.219999999999999 111.135 179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' E' ' 19' ' ' PHE . 1.7 m-85 -111.53 136.2 51.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 51.530000000000001 110.89 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 55.27 35.06 24.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 71.099999999999994 110.886 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.01 129.77 37.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 74.099999999999994 111.098 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 57.19 81.26 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 55.229999999999997 110.832 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 5.7 p -139.54 138.43 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 71.310000000000002 111.126 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.28 -45.39 88.53 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 65.219999999999999 112.519 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.92 141.68 0.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.875 0.369 . . . . 71.340000000000003 110.832 -179.71 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -98.25 101.16 12.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 75.019999999999996 110.918 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -114.77 161.35 18.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 74.439999999999998 110.91 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.69 -137.53 39.16 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.693 -0.765 . . . . 75.129999999999995 112.484 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -92.92 113.03 25.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 63.439999999999998 111.134 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -128.75 125.3 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 64.420000000000002 111.132 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 7.6 mt -125.84 118.16 51.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 74.530000000000001 111.131 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.7 -55.6 16.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 43.310000000000002 112.443 179.977 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.553 ' N ' ' CD1' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -152.77 150.1 29.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.34 . . . . 75.040000000000006 110.931 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 10.9 mtp -132.13 120.48 22.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 72.430000000000007 110.939 179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 40.6 t -129.01 110.51 20.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 71.439999999999998 111.122 -179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.24 31.99 20.66 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.72 -0.752 . . . . 54.240000000000002 112.519 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.59 -162.83 25.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.716 -0.754 . . . . 65.120000000000005 112.491 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 12.1 p -161.59 145.79 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 73.450000000000003 111.111 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 29.8 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 74.010000000000005 111.154 179.934 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.863 0.363 . . . . 73.120000000000005 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.73 88.12 4.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 71.329999999999998 111.09 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . 0.406 ' HB3' ' HA2' ' A' ' 29' ' ' GLY . 4.6 mm-40 -52.21 -33.53 41.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 73.239999999999995 110.905 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -168.49 123.84 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 70.349999999999994 110.866 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -128.62 109.24 11.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 72.150000000000006 110.881 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -105.09 110.8 23.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 73.340000000000003 110.859 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -112.37 102.97 11.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 70.200000000000003 110.906 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 83.2 p -146.61 174.44 11.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 61.43 110.88 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.52 -22.97 5.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 72.239999999999995 112.473 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -151.44 101.39 2.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 72.140000000000001 110.903 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -99.77 120.08 39.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.501 . . . . 74.450000000000003 110.912 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 98.7 t -138.19 113.89 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 64.019999999999996 111.139 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -119.09 116.56 26.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 74.319999999999993 110.878 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -118.71 134.64 54.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 73.019999999999996 110.838 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.07 132.44 54.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 74.329999999999998 110.905 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -132.32 115.05 15.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 75.319999999999993 110.917 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -125.22 102.21 7.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 75.409999999999997 110.932 179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -108.59 111.27 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 74.239999999999995 111.081 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -103.01 140.76 36.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 75.239999999999995 110.882 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 16.7 m-85 61.57 37.02 16.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 74.409999999999997 110.902 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.48 127.78 35.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 63.32 111.158 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.03 77.28 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 74.010000000000005 110.91 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 5.8 p -139.0 140.68 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 74.299999999999997 111.134 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.74 -46.91 93.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.735 . . . . 62.399999999999999 112.489 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.19 146.2 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.384 . . . . 71.310000000000002 110.84 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 35.2 m-20 -99.35 104.14 16.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 61.119999999999997 110.878 -179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -113.52 159.29 19.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 72.340000000000003 110.85 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.23 -138.63 31.31 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 53.32 112.497 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.49 112.81 24.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.774 0.321 . . . . 74.310000000000002 111.052 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -129.38 129.51 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 74.150000000000006 111.155 179.928 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 8.6 mt -134.1 119.22 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 74.439999999999998 111.158 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.66 -56.59 7.28 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.748 . . . . 71.219999999999999 112.523 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.606 ' N ' ' CD1' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -158.44 151.62 22.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.763 0.316 . . . . 74.530000000000001 110.93 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 7.6 mtp -129.09 123.66 32.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 74.349999999999994 110.91 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 25.6 t -123.22 113.04 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 73.439999999999998 111.134 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.94 28.67 40.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 72.150000000000006 112.525 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.58 -163.47 25.25 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.764 -0.732 . . . . 63.020000000000003 112.524 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 p -164.71 146.73 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 74.120000000000005 111.13 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 29.7 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 73.5 111.138 179.931 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.852 0.358 . . . . 74.519999999999996 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.96 89.36 3.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 71.439999999999998 111.091 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -50.99 -30.58 15.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 73.340000000000003 110.885 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -167.44 124.85 1.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 73.040000000000006 110.92 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 8.1 mmm-85 -127.0 108.5 10.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 75.310000000000002 110.863 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -105.97 108.95 20.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 72.239999999999995 110.823 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -113.52 101.95 9.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 54.119999999999997 110.881 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 83.4 p -146.13 174.27 11.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 74.209999999999994 110.837 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.92 -22.55 5.62 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 73.319999999999993 112.499 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -151.77 101.25 2.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.916 0.389 . . . . 74.530000000000001 110.924 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.86 119.94 38.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 73.150000000000006 110.93 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 90.7 t -136.44 113.85 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 75.439999999999998 111.127 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -120.85 114.81 22.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 65.219999999999999 110.872 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -119.18 135.82 54.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 74.329999999999998 110.874 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.83 132.56 54.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 70.019999999999996 110.92 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -126.67 115.68 19.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 74.329999999999998 110.86 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.64 102.29 7.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 74.010000000000005 110.909 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 t -109.78 113.45 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 72.109999999999999 111.096 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -107.56 136.86 46.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.899 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 19.5 m-85 60.95 36.36 18.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 73.439999999999998 110.865 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.5 126.77 35.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 73.420000000000002 111.071 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.39 78.79 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 72.420000000000002 110.922 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 p -139.24 140.25 38.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 72.310000000000002 111.152 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.37 -45.95 94.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 64.230000000000004 112.452 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.1 145.29 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.372 . . . . 64.519999999999996 110.867 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 52.4 m-20 -100.18 104.12 15.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 74.030000000000001 110.888 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -113.82 160.79 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 73.140000000000001 110.911 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.45 -136.22 31.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 72.430000000000007 112.46 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.03 112.75 24.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.329 . . . . 63.520000000000003 111.094 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -127.36 125.76 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 72.340000000000003 111.156 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 9.0 mt -132.56 119.01 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 73.120000000000005 111.097 179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.15 -57.18 10.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.723 -0.751 . . . . 54.340000000000003 112.482 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.598 ' N ' ' CD1' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -155.36 151.36 27.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.846 0.355 . . . . 74.439999999999998 110.907 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 7.5 mtp -129.55 122.54 29.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 75.239999999999995 110.922 179.806 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 38.4 t -123.58 112.58 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 73.209999999999994 111.168 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.1 29.3 20.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.76 . . . . 73.230000000000004 112.513 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.24 -164.04 27.54 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 64.010000000000005 112.506 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 8.5 p -163.1 145.57 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.368 . . . . 72.019999999999996 111.149 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 28.8 m . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 70.439999999999998 111.138 179.936 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.858 0.361 . . . . 72.030000000000001 110.863 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.71 89.35 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 72.349999999999994 111.114 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.55 -31.02 22.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 73.439999999999998 110.872 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -168.42 124.66 1.01 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 75.129999999999995 110.871 -179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -127.34 108.38 10.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 74.150000000000006 110.899 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -106.04 108.65 20.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 75.420000000000002 110.825 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -113.88 101.86 9.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 72.329999999999998 110.843 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 83.4 p -145.02 174.32 11.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 55.420000000000002 110.838 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.94 -22.23 5.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 64.150000000000006 112.504 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -152.16 100.62 2.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 72.219999999999999 110.947 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.94 120.11 39.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 74.409999999999997 110.873 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 86.7 t -136.15 114.13 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 72.439999999999998 111.097 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -120.94 114.07 21.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 65.430000000000007 110.865 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -118.84 136.18 54.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 74.439999999999998 110.839 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.07 132.98 54.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 75.310000000000002 110.903 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -123.87 115.57 21.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 72.400000000000006 110.912 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -128.23 101.59 6.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 75.120000000000005 110.94 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 1.2 t -111.09 114.59 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 75.099999999999994 111.141 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -108.22 136.32 48.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 75.109999999999999 110.906 179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 59.76 36.84 22.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 72.239999999999995 110.857 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.54 127.73 35.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 73.230000000000004 111.106 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.63 80.28 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 72.400000000000006 110.889 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 6.4 p -138.65 139.68 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 74.349999999999994 111.152 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.59 -46.36 92.18 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.763 -0.732 . . . . 63.0 112.486 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.39 144.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 75.310000000000002 110.877 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 53.5 m-20 -100.26 103.22 14.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 74.430000000000007 110.917 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -113.81 160.81 18.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 75.540000000000006 110.935 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.34 -137.07 34.54 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.725 -0.75 . . . . 64.109999999999999 112.438 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.68 112.73 24.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.753 0.311 . . . . 61.310000000000002 111.113 -179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -128.06 125.64 64.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 74.239999999999995 111.186 179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 mt -130.7 118.64 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 71.019999999999996 111.12 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.6 -57.81 9.02 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.737 -0.744 . . . . 74.299999999999997 112.468 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . 0.604 ' N ' ' CD1' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -153.58 149.89 28.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 73.310000000000002 110.913 -179.888 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 8.3 mtp -129.08 122.02 29.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 74.109999999999999 110.872 179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 40.1 t -123.9 111.57 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 71.049999999999997 111.159 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.33 30.29 18.11 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.716 -0.754 . . . . 54.140000000000001 112.464 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.48 -163.74 28.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.675 -0.774 . . . . 54.030000000000001 112.484 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 8.3 p -162.43 145.35 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 75.540000000000006 111.094 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 29.4 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 73.519999999999996 111.169 179.961 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.798 0.332 . . . . 74.239999999999995 110.889 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.0 88.26 4.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 61.140000000000001 111.061 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -51.5 -31.74 24.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 73.299999999999997 110.878 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -168.3 124.19 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 75.030000000000001 110.875 -179.884 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -127.42 108.11 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 74.329999999999998 110.873 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -105.98 108.59 20.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 74.430000000000007 110.85 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -114.15 101.92 9.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 72.140000000000001 110.859 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 83.7 p -144.34 173.93 11.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 74.510000000000005 110.851 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.72 -22.24 5.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.706 -0.759 . . . . 70.319999999999993 112.483 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -152.1 99.24 2.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.85 0.357 . . . . 75.010000000000005 110.908 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.72 120.28 39.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 65.109999999999999 110.867 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 86.3 t -137.19 114.29 12.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 74.340000000000003 111.107 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -119.9 114.61 22.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 61.399999999999999 110.844 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -117.81 136.81 53.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 62.509999999999998 110.903 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.8 133.37 52.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 75.099999999999994 110.904 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -122.67 115.41 22.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 75.540000000000006 110.899 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -130.34 101.02 5.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 75.109999999999999 110.896 179.954 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -111.89 117.23 54.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 74.319999999999993 111.14 179.825 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . 0.413 ' CD1' ' N ' ' I' ' 19' ' ' PHE . 2.0 m-85 -109.23 136.54 48.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 75.519999999999996 110.885 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 58.46 35.68 24.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 74.519999999999996 110.891 -179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.21 127.47 36.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 73.319999999999993 111.085 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.54 81.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 72.230000000000004 110.838 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 p -138.83 139.23 41.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 75.310000000000002 111.161 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.23 -45.72 92.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.716 -0.754 . . . . 64.209999999999994 112.443 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.4 143.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.383 . . . . 62.140000000000001 110.866 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 55.2 m-20 -100.07 101.43 12.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 74.420000000000002 110.866 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -114.02 161.19 18.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 75.420000000000002 110.921 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.49 -138.07 37.45 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.729 -0.748 . . . . 74.150000000000006 112.512 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.3 112.89 24.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.733 0.302 . . . . 74.200000000000003 111.126 179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -128.94 126.44 64.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 74.540000000000006 111.145 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 7.6 mt -129.71 119.06 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 72.239999999999995 111.089 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.03 -59.12 7.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 72.329999999999998 112.525 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . 0.612 ' N ' ' CD1' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -151.91 147.61 26.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.77 0.319 . . . . 75.200000000000003 110.962 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 9.1 mtp -129.05 122.05 29.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 74.329999999999998 110.917 179.813 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 39.6 t -126.13 111.37 26.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.437 . . . . 71.219999999999999 111.131 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.33 29.52 23.03 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 63.340000000000003 112.499 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.83 -163.46 28.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.73 . . . . 55.119999999999997 112.53 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 10.5 p -162.15 145.42 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.362 . . . . 74.530000000000001 111.143 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 73.25 111.129 179.898 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.819 0.342 . . . . 63.009999999999998 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.07 88.94 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 64.049999999999997 111.098 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -51.53 -32.51 28.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 64.239999999999995 110.887 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -168.03 125.12 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 64.510000000000005 110.819 -179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -127.88 108.5 10.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 75.25 110.854 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -106.87 108.75 20.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 74.209999999999994 110.858 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -115.03 102.07 9.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 72.030000000000001 110.916 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 83.7 p -145.32 170.76 15.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 71.109999999999999 110.888 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.12 -21.35 6.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.76 . . . . 75.120000000000005 112.51 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -151.36 97.64 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 74.019999999999996 110.918 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -99.98 119.96 39.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.506 . . . . 73.329999999999998 110.853 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 87.2 t -137.65 114.29 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 75.239999999999995 111.121 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -118.79 113.71 21.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 74.340000000000003 110.848 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -117.99 135.35 54.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 71.409999999999997 110.844 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.51 138.13 52.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 75.219999999999999 110.883 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 4.2 tttp -124.02 114.84 20.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 73.409999999999997 110.916 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -130.37 100.9 5.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 74.510000000000005 110.904 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.79 121.17 63.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 71.519999999999996 111.121 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . 0.405 ' CD1' ' N ' ' J' ' 19' ' ' PHE . 1.6 m-85 -111.94 136.03 51.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 73.219999999999999 110.905 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 55.57 35.23 24.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 73.209999999999994 110.89 -179.886 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.02 129.99 37.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 74.310000000000002 111.072 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 57.21 81.76 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 73.340000000000003 110.842 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 5.6 p -139.03 137.63 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 71.319999999999993 111.143 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.89 -44.45 92.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.791 -0.718 . . . . 71.049999999999997 112.486 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.2 139.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 72.030000000000001 110.885 -179.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -98.94 99.36 10.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 70.430000000000007 110.901 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -114.86 163.54 15.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 74.409999999999997 110.861 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.22 -140.02 36.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.786 -0.721 . . . . 72.319999999999993 112.435 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.73 112.81 24.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.748 0.309 . . . . 74.310000000000002 111.08 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -128.63 127.21 66.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 73.049999999999997 111.114 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 mt -126.87 117.87 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.099999999999994 111.153 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.48 -56.71 12.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 63.210000000000001 112.452 179.938 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . 0.561 ' N ' ' CD1' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -152.36 149.68 28.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.839 0.352 . . . . 74.400000000000006 110.886 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 10.6 mtp -132.55 120.37 21.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 74.430000000000007 110.839 179.863 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 35.2 t -129.35 110.38 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 74.319999999999993 111.175 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.23 31.21 26.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 65.439999999999998 112.502 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.52 -162.9 25.28 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.719 -0.753 . . . . 73.420000000000002 112.474 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 13.9 p -161.54 147.08 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 74.319999999999993 111.168 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 29.1 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 73.439999999999998 111.114 179.926 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.782 0.325 . . . . 72.150000000000006 110.866 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.24 82.89 2.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 75.519999999999996 111.116 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -53.14 -48.17 68.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 64.530000000000001 110.924 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -147.9 115.45 6.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 74.450000000000003 110.883 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -133.33 109.01 9.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 70.450000000000003 110.872 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -104.61 109.96 22.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 72.420000000000002 110.825 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -111.13 102.24 10.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 74.230000000000004 110.9 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 t -148.91 174.53 12.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 74.310000000000002 110.821 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.42 -7.4 30.27 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.702 -0.761 . . . . 74.230000000000004 112.496 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -171.54 112.1 0.33 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.807 0.337 . . . . 73.439999999999998 110.929 -179.805 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -104.84 119.66 39.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 71.439999999999998 110.872 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 62.0 t -133.36 113.57 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 74.430000000000007 111.123 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.1 m170 -120.24 113.76 20.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 73.200000000000003 110.846 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -124.75 133.14 53.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 75.019999999999996 110.852 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.05 132.98 55.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 74.140000000000001 110.944 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -130.04 115.91 17.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 71.400000000000006 110.899 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.71 101.05 6.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 72.099999999999994 110.938 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.1 t -108.88 114.54 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 75.150000000000006 111.146 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.417 ' CE2' HD13 ' A' ' 34' ' ' LEU . 8.5 m-85 -117.75 109.87 17.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 73.329999999999998 110.869 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 60.38 78.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 72.439999999999998 110.938 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.52 118.55 32.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 74.450000000000003 111.141 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 64.09 107.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 75.239999999999995 110.892 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 92.9 t -124.38 126.19 71.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 73.420000000000002 111.12 179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.22 -51.85 56.3 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 54.420000000000002 112.493 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -149.61 121.42 8.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 73.439999999999998 110.871 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 16.6 m-20 -94.94 101.82 13.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 74.430000000000007 110.853 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 tptp -115.88 133.97 55.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 73.25 110.875 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.2 -143.18 28.23 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 74.019999999999996 112.505 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -84.11 115.28 22.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.758 0.313 . . . . 74.109999999999999 111.128 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 mm -120.56 110.54 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 73.319999999999993 111.103 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.8 mt -130.05 118.85 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 73.450000000000003 111.136 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.11 -44.39 42.4 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.776 -0.726 . . . . 72.239999999999995 112.509 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.526 ' O ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -171.95 151.81 2.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.784 0.326 . . . . 74.0 110.895 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' MET . . . . . 0.423 ' N ' ' CD2' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -114.34 119.86 38.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 75.450000000000003 110.91 179.787 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 4.2 p -136.31 117.76 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 71.120000000000005 111.138 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.53 15.8 47.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 52.340000000000003 112.477 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.72 -168.17 15.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.729 . . . . 73.219999999999999 112.536 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 p -168.86 130.83 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.887 0.375 . . . . 74.109999999999999 111.152 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 36.0 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 71.340000000000003 111.141 179.91 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.849 0.357 . . . . 74.409999999999997 110.88 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.72 82.51 2.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 61.039999999999999 111.131 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -52.79 -47.42 67.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 73.409999999999997 110.853 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.24 115.1 6.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 71.239999999999995 110.884 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -131.27 109.03 10.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 74.109999999999999 110.917 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -103.75 109.1 20.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 74.310000000000002 110.891 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -111.6 102.05 10.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 72.129999999999995 110.831 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 7.0 t -148.35 174.52 11.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 75.129999999999995 110.851 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.31 -8.49 30.98 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.788 -0.72 . . . . 64.430000000000007 112.489 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.39 112.35 0.27 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 74.209999999999994 110.927 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -104.32 119.65 39.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 74.340000000000003 110.894 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 61.2 t -130.57 113.66 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 64.129999999999995 111.148 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -120.83 113.94 20.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 71.120000000000005 110.894 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -125.89 134.15 51.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 72.209999999999994 110.846 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.88 133.03 55.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 75.519999999999996 110.921 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -125.54 117.16 22.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 73.439999999999998 110.886 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -126.63 102.06 6.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 74.420000000000002 110.935 179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 89.3 t -108.63 112.95 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 64.219999999999999 111.115 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -118.25 105.97 12.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 72.230000000000004 110.858 -179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 60.12 80.65 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 74.209999999999994 110.89 -179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.67 116.92 29.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 65.109999999999999 111.092 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 64.4 108.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 64.430000000000007 110.87 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 87.8 t -125.19 125.58 69.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 75.120000000000005 111.167 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.55 -51.26 58.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 73.120000000000005 112.487 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -148.93 122.72 9.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.91 0.385 . . . . 63.439999999999998 110.845 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 14.8 m-20 -94.79 100.68 12.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 75.25 110.879 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 4.4 tptp -117.94 135.76 53.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 73.230000000000004 110.859 179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.05 -142.15 27.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.778 -0.725 . . . . 70.109999999999999 112.484 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.67 114.48 21.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.742 0.306 . . . . 73.209999999999994 111.131 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 mm -119.08 107.67 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 74.349999999999994 111.187 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 32.4 mt -127.9 119.7 52.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 64.340000000000003 111.107 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.52 -43.84 53.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 74.049999999999997 112.512 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.534 ' CD1' ' HB2' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -171.85 150.28 2.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.845 0.355 . . . . 74.040000000000006 110.892 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' MET . . . . . 0.405 ' N ' ' CD2' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -114.06 116.16 28.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 74.019999999999996 110.894 179.798 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 4.0 p -136.57 117.8 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 65.329999999999998 111.112 -179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.06 17.0 43.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 74.519999999999996 112.525 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.24 -170.03 16.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.715 -0.755 . . . . 74.140000000000001 112.491 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 3.8 p -169.14 131.17 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.892 0.377 . . . . 73.219999999999999 111.103 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 30.1 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 74.310000000000002 111.137 179.924 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.837 0.351 . . . . 75.129999999999995 110.855 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.01 82.06 2.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 63.539999999999999 111.088 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -53.1 -46.75 68.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 73.129999999999995 110.857 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.58 114.73 6.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 74.420000000000002 110.912 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -131.73 109.03 9.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 73.140000000000001 110.875 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -103.89 108.9 20.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 65.409999999999997 110.816 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -111.96 102.05 10.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 64.010000000000005 110.837 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 6.9 t -146.91 174.35 11.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 75.019999999999996 110.897 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.65 -8.99 31.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.718 -0.754 . . . . 63.210000000000001 112.496 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.61 112.53 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 75.439999999999998 110.895 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -104.84 119.83 39.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 75.129999999999995 110.858 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 55.4 t -129.98 113.53 26.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 70.299999999999997 111.113 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -120.46 113.39 20.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 72.120000000000005 110.846 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -125.63 134.01 52.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 62.240000000000002 110.844 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.83 133.59 54.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 73.200000000000003 110.887 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -123.51 116.63 23.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 70.420000000000002 110.941 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -126.94 101.1 6.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 64.310000000000002 110.909 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 86.9 t -108.89 112.44 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 74.140000000000001 111.139 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -116.68 106.3 13.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 73.329999999999998 110.907 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 59.82 81.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.109999999999999 110.865 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.04 115.77 28.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 73.109999999999999 111.111 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.29 108.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 64.219999999999999 110.881 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 94.3 t -125.02 125.4 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 71.109999999999999 111.11 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.73 -50.57 62.87 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.776 -0.726 . . . . 74.230000000000004 112.495 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -149.2 122.7 9.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.886 0.374 . . . . 73.420000000000002 110.867 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -94.39 100.49 12.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 64.109999999999999 110.91 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -119.23 136.76 54.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 75.510000000000005 110.869 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.32 -142.01 26.61 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.766 -0.731 . . . . 62.219999999999999 112.505 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.95 113.74 20.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.795 0.331 . . . . 74.329999999999998 111.082 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 3.0 mm -118.06 106.98 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 72.519999999999996 111.194 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 25.7 mt -127.64 119.74 52.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 74.140000000000001 111.128 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.85 -44.72 55.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 54.219999999999999 112.485 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.562 ' C ' ' CD2' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -170.76 149.17 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.853 0.358 . . . . 72.400000000000006 110.899 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -115.17 114.1 24.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 72.400000000000006 110.895 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 4.6 p -135.64 117.32 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 74.439999999999998 111.119 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.76 17.7 43.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 54.409999999999997 112.468 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.08 -170.57 17.06 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 61.340000000000003 112.483 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 3.4 p -169.58 131.06 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.856 0.36 . . . . 70.25 111.113 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 27.3 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 73.540000000000006 111.159 179.893 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.875 0.369 . . . . 74.549999999999997 110.855 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.86 81.73 2.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 75.340000000000003 111.143 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.63 -45.21 66.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 72.310000000000002 110.865 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.11 114.84 6.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 73.049999999999997 110.865 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -131.62 109.09 9.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 75.310000000000002 110.852 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -104.28 108.71 20.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 75.340000000000003 110.839 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -112.55 102.22 10.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 74.549999999999997 110.906 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t -146.24 173.66 12.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 75.340000000000003 110.848 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.81 -8.66 31.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.755 -0.735 . . . . 72.230000000000004 112.488 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.3 111.26 0.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.851 0.358 . . . . 73.439999999999998 110.951 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -104.61 119.85 39.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 74.099999999999994 110.87 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 56.3 t -130.43 113.3 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 75.430000000000007 111.134 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -120.88 113.04 19.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 74.230000000000004 110.881 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -126.36 132.82 51.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 75.439999999999998 110.876 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.95 135.0 54.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 75.349999999999994 110.927 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -122.39 117.29 25.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 72.510000000000005 110.9 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -127.99 100.71 6.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 71.519999999999996 110.913 179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 87.8 t -108.59 113.58 44.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 74.439999999999998 111.117 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 5.2 m-85 -115.52 106.94 14.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 74.200000000000003 110.882 -179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 59.69 81.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 74.010000000000005 110.852 -179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.11 115.45 27.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 72.510000000000005 111.08 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.42 108.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 75.299999999999997 110.867 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 92.5 t -125.28 124.43 67.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 55.340000000000003 111.105 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.38 -50.35 63.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.694 -0.765 . . . . 63.130000000000003 112.528 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -149.71 123.12 9.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 73.450000000000003 110.875 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 14.0 m-20 -93.67 100.0 12.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 65.420000000000002 110.91 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 4.3 tptp -120.1 138.2 53.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 74.450000000000003 110.939 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.62 -141.31 25.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.747 . . . . 54.240000000000002 112.469 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.79 113.34 20.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.753 0.311 . . . . 63.119999999999997 111.117 179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 4.9 mm -117.19 107.62 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 74.540000000000006 111.148 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 25.6 mt -127.84 118.17 48.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 73.099999999999994 111.152 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.09 -45.29 51.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.74 . . . . 73.329999999999998 112.488 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.581 ' CD2' ' C ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -170.83 146.26 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 75.140000000000001 110.921 -179.846 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.36 113.83 23.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 73.409999999999997 110.873 179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 3.4 p -135.24 115.64 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 75.420000000000002 111.161 179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.61 18.15 43.84 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.784 -0.722 . . . . 72.310000000000002 112.504 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.33 -169.54 18.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.788 -0.72 . . . . 75.409999999999997 112.543 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 3.4 p -168.87 131.03 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 75.549999999999997 111.121 -179.943 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 32.9 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 72.349999999999994 111.155 179.906 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.836 0.35 . . . . 73.540000000000006 110.842 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.16 82.67 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 62.039999999999999 111.075 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -51.67 -45.75 63.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 73.310000000000002 110.861 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -146.21 115.75 7.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 74.400000000000006 110.871 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -128.95 109.1 10.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 74.409999999999997 110.876 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -103.83 108.74 20.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 72.450000000000003 110.887 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -113.03 102.18 10.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 72.540000000000006 110.839 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 7.0 t -147.32 171.13 15.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 63.299999999999997 110.867 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.09 -8.19 34.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 75.400000000000006 112.517 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -171.85 109.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 75.340000000000003 110.932 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -105.46 120.13 40.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 74.239999999999995 110.843 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 55.4 t -130.16 113.64 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 74.310000000000002 111.137 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -120.45 112.86 19.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 72.239999999999995 110.816 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -127.1 134.09 50.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 73.319999999999993 110.833 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.42 139.0 54.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 73.400000000000006 110.931 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -122.39 115.72 22.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 72.409999999999997 110.902 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -127.61 101.87 6.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 70.540000000000006 110.921 179.899 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 86.3 t -108.3 114.43 46.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 63.020000000000003 111.117 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -114.36 105.63 13.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 74.319999999999993 110.882 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 59.02 81.87 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 75.409999999999997 110.856 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.07 113.95 25.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 62.130000000000003 111.101 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 63.93 108.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 75.040000000000006 110.887 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 92.5 t -124.65 122.33 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 70.120000000000005 111.096 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.87 -49.63 66.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 74.120000000000005 112.502 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -151.8 121.55 7.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 71.140000000000001 110.85 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -91.37 99.7 12.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 72.239999999999995 110.902 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -121.96 138.98 54.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 72.430000000000007 110.904 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.91 -139.18 21.07 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.745 -0.741 . . . . 74.349999999999994 112.445 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.34 114.44 21.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 72.340000000000003 111.093 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 10.7 mm -114.73 107.76 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 74.040000000000006 111.127 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 31.7 mt -125.58 114.94 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 75.400000000000006 111.102 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.52 -40.21 77.14 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 55.219999999999999 112.515 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.552 ' CD2' ' C ' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -171.47 149.47 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.825 0.345 . . . . 74.409999999999997 110.92 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.41 115.08 19.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 71.430000000000007 110.888 179.832 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 4.4 p -141.26 114.39 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 75.340000000000003 111.161 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.74 18.91 33.72 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 71.420000000000002 112.506 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.98 -168.71 18.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 74.409999999999997 112.475 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 3.2 p -169.06 131.95 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.879 0.371 . . . . 73.019999999999996 111.097 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 34.5 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 72.310000000000002 111.093 179.933 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.825 0.345 . . . . 71.549999999999997 110.866 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.58 81.62 2.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 74.329999999999998 111.065 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -52.74 -47.79 67.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 74.209999999999994 110.859 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.99 115.53 6.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 74.239999999999995 110.838 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -133.02 109.26 9.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 75.239999999999995 110.876 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -104.44 110.03 22.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 75.430000000000007 110.871 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -110.71 102.48 11.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 74.439999999999998 110.809 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 6.6 t -148.76 174.14 12.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 71.219999999999999 110.868 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.38 -7.66 29.99 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 62.310000000000002 112.469 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -171.56 112.45 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.815 0.34 . . . . 74.219999999999999 110.912 -179.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -104.05 119.53 39.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 75.219999999999999 110.917 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 58.6 t -132.42 113.39 21.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 75.530000000000001 111.105 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 42.7 m170 -120.88 114.63 21.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 72.530000000000001 110.837 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -125.95 132.98 51.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 75.299999999999997 110.855 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.97 132.91 55.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 71.299999999999997 110.891 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 5.3 tttp -130.46 115.94 17.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 74.019999999999996 110.932 179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.71 101.0 6.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 75.239999999999995 110.898 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 91.8 t -108.99 114.74 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 74.329999999999998 111.132 179.831 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . 0.436 ' CE2' HD13 ' F' ' 34' ' ' LEU . 8.6 m-85 -117.66 109.29 16.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 74.340000000000003 110.918 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 60.87 78.25 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 75.310000000000002 110.895 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.28 119.32 33.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 64.5 111.117 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 64.07 107.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 73.099999999999994 110.895 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 99.6 t -125.0 125.47 69.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 72.409999999999997 111.135 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.9 -52.15 54.62 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 73.019999999999996 112.475 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -149.29 121.09 8.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.932 0.396 . . . . 71.349999999999994 110.87 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 16.1 m-20 -94.54 100.68 12.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 75.200000000000003 110.897 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 5.4 tptp -114.69 134.55 54.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 74.329999999999998 110.92 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.08 -144.89 30.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 73.310000000000002 112.446 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.54 114.73 21.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.732 0.301 . . . . 72.099999999999994 111.071 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 2.7 mm -119.55 112.21 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 73.239999999999995 111.108 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 38.1 mt -130.32 118.41 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.439999999999998 111.159 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.94 -44.81 41.22 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 64.519999999999996 112.469 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.53 ' O ' ' CD1' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -172.05 151.74 2.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.821 0.343 . . . . 73.230000000000004 110.962 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' F' F ' 35' ' ' MET . . . . . 0.418 ' N ' ' CD2' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -114.46 119.68 37.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 64.409999999999997 110.881 179.888 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 4.0 p -135.59 117.11 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.427 . . . . 73.450000000000003 111.147 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.27 16.34 48.66 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 61.409999999999997 112.528 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.92 -171.23 16.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 74.230000000000004 112.51 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 4.0 p -169.38 130.48 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 72.019999999999996 111.164 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 33.7 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 75.319999999999993 111.121 179.969 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.779 0.323 . . . . 63.299999999999997 110.887 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.43 82.03 2.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 65.200000000000003 111.091 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -52.31 -47.87 65.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 71.120000000000005 110.875 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.69 115.38 6.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 73.299999999999997 110.87 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -131.43 109.66 10.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 73.420000000000002 110.89 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -104.43 109.21 20.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 74.510000000000005 110.816 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -111.25 102.32 10.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 72.209999999999994 110.859 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t -148.29 174.32 12.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 64.409999999999997 110.859 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.38 -8.56 30.74 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 64.450000000000003 112.474 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.25 112.92 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.86 0.362 . . . . 72.239999999999995 110.942 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -104.07 119.52 39.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 75.549999999999997 110.886 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 60.2 t -129.74 113.53 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 73.049999999999997 111.13 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 39.5 m170 -121.32 114.59 21.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 73.109999999999999 110.889 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -127.2 133.56 50.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 73.209999999999994 110.834 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.36 132.87 55.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 65.219999999999999 110.907 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -125.7 117.15 22.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 73.230000000000004 110.86 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -126.5 101.55 6.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 75.219999999999999 110.962 179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 89.2 t -108.05 113.16 43.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 73.140000000000001 111.144 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -118.28 106.36 12.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 74.140000000000001 110.864 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 60.06 80.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 74.519999999999996 110.84 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.59 117.58 31.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 65.140000000000001 111.138 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.37 107.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 75.120000000000005 110.929 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 90.6 t -125.32 124.97 68.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 75.510000000000005 111.134 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.38 -51.7 56.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 75.219999999999999 112.511 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 3.4 p -148.64 121.73 8.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 74.409999999999997 110.837 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 14.4 m-20 -94.01 99.74 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 52.240000000000002 110.88 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 tptp -116.8 136.56 52.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 74.239999999999995 110.883 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.77 -143.8 29.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 72.209999999999994 112.523 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.9 114.25 21.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.76 0.314 . . . . 73.420000000000002 111.099 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 2.8 mm -118.08 109.55 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 73.400000000000006 111.11 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 35.2 mt -128.42 119.17 49.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 75.519999999999996 111.09 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.8 -44.35 55.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.714 -0.755 . . . . 64.109999999999999 112.482 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.54 ' CD1' ' HB2' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -171.56 149.9 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 71.409999999999997 110.895 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' G' G ' 35' ' ' MET . . . . . 0.403 ' N ' ' CD2' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -114.1 115.99 28.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 71.530000000000001 110.861 179.822 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 3.8 p -135.71 116.65 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 73.25 111.132 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.85 18.14 45.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 71.310000000000002 112.496 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.49 -171.08 16.96 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.793 -0.718 . . . . 53.229999999999997 112.508 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 3.4 p -169.27 130.35 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 74.450000000000003 111.109 -179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 27.0 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 75.519999999999996 111.127 179.918 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.805 0.336 . . . . 70.409999999999997 110.878 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.02 81.64 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 71.409999999999997 111.111 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -52.49 -46.98 66.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 74.450000000000003 110.892 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.54 115.23 6.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 73.319999999999993 110.876 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -131.74 108.84 9.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 73.549999999999997 110.907 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -104.15 108.88 20.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 71.129999999999995 110.889 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -111.91 102.16 10.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 65.510000000000005 110.879 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 6.9 t -147.02 174.21 11.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 71.329999999999998 110.865 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.96 -9.04 30.85 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 73.510000000000005 112.511 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.32 112.12 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.868 0.366 . . . . 74.349999999999994 110.92 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -103.87 119.78 39.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 71.109999999999999 110.896 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 53.8 t -129.37 113.7 28.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 73.450000000000003 111.144 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 41.4 m170 -121.34 113.72 20.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 73.120000000000005 110.884 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -126.88 133.73 50.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 75.310000000000002 110.867 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.14 133.3 55.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 73.319999999999993 110.968 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -123.3 116.43 23.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 75.450000000000003 110.934 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.85 100.88 6.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 71.420000000000002 110.945 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 87.1 t -108.58 112.27 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 64.209999999999994 111.088 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -116.35 105.95 13.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 73.540000000000006 110.865 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 60.28 80.85 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 75.409999999999997 110.888 -179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.55 116.32 28.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 74.319999999999993 111.119 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.37 108.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 73.230000000000004 110.893 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 95.7 t -125.59 124.09 66.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 74.120000000000005 111.099 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.24 -51.0 59.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.751 . . . . 74.040000000000006 112.492 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -148.5 121.9 9.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.861 0.363 . . . . 74.219999999999999 110.888 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 13.0 m-20 -94.32 99.95 12.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 70.340000000000003 110.906 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 5.1 tptp -118.28 137.71 52.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 72.040000000000006 110.88 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.94 -143.09 28.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 75.0 112.455 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.48 113.84 20.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.753 0.311 . . . . 75.540000000000006 111.09 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 3.2 mm -117.32 107.81 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 74.150000000000006 111.13 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 26.5 mt -127.44 118.93 50.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 64.200000000000003 111.177 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.91 -45.4 55.96 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 53.119999999999997 112.467 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . 0.551 ' C ' ' CD2' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -170.29 148.63 3.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 74.219999999999999 110.907 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -114.94 114.0 24.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 74.310000000000002 110.876 179.851 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 4.5 p -135.53 117.04 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 73.439999999999998 111.132 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.38 18.03 41.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 64.140000000000001 112.501 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.21 -170.9 17.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 54.32 112.486 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 3.2 p -169.54 130.48 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 72.109999999999999 111.157 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 23.9 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 72.099999999999994 111.155 179.87 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.812 0.339 . . . . 73.420000000000002 110.857 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.32 80.94 2.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 71.150000000000006 111.118 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -52.37 -46.68 66.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 64.129999999999995 110.913 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -147.1 115.12 6.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 74.319999999999993 110.875 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -131.85 109.34 10.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 74.439999999999998 110.827 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -104.29 108.7 20.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 55.009999999999998 110.875 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -112.4 102.28 10.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 72.420000000000002 110.89 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t -146.26 173.46 12.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 63.210000000000001 110.851 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.83 -8.59 31.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 73.510000000000005 112.496 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -172.24 111.29 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 74.140000000000001 110.92 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -103.66 119.8 39.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.065 -0.516 . . . . 75.099999999999994 110.853 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 55.1 t -129.82 113.28 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 73.319999999999993 111.113 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 41.8 m170 -121.09 113.14 19.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 75.209999999999994 110.883 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -126.06 133.26 51.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 72.430000000000007 110.888 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.88 134.15 54.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 74.150000000000006 110.929 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -122.43 116.48 24.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 74.450000000000003 110.871 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -128.22 100.35 5.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 73.510000000000005 110.937 179.909 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 88.1 t -108.75 113.46 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 72.409999999999997 111.122 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -115.73 106.9 14.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 74.129999999999995 110.86 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 59.67 81.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 75.140000000000001 110.887 -179.922 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.4 115.76 28.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 73.439999999999998 111.075 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 64.3 108.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 70.400000000000006 110.825 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 93.2 t -125.41 123.82 65.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 75.329999999999998 111.126 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.9 -50.68 61.62 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 74.310000000000002 112.436 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -149.24 122.09 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 74.530000000000001 110.846 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 12.1 m-20 -93.72 99.32 11.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 74.319999999999993 110.903 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -119.37 138.84 52.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 73.230000000000004 110.915 179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.75 -141.99 26.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 74.109999999999999 112.494 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -82.7 113.77 20.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.738 0.304 . . . . 75.549999999999997 111.124 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 4.8 mm -117.23 108.93 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 72.099999999999994 111.104 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 29.2 mt -127.86 118.18 48.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 71.409999999999997 111.133 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.53 -45.37 53.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 61.130000000000003 112.463 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . 0.591 ' CD2' ' C ' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -171.25 146.25 2.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.802 0.334 . . . . 74.329999999999998 110.927 -179.9 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -116.22 113.34 22.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 75.099999999999994 110.905 179.838 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 3.4 p -135.43 115.29 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 74.010000000000005 111.147 179.963 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.09 17.37 44.57 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.753 -0.736 . . . . 73.010000000000005 112.478 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.58 -170.16 19.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 62.43 112.482 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 3.2 p -169.18 130.88 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.356 . . . . 71.400000000000006 111.141 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 33.0 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 70.530000000000001 111.161 179.919 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.828 0.346 . . . . 74.310000000000002 110.908 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.1 82.67 2.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 75.420000000000002 111.068 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -51.96 -47.14 64.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 73.239999999999995 110.859 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.68 115.76 6.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 74.0 110.852 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -129.36 109.16 10.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 74.140000000000001 110.875 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -102.9 108.77 20.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.209999999999994 110.868 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -113.03 102.19 10.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 73.510000000000005 110.871 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 7.3 t -147.56 170.73 16.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.450000000000003 110.88 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.15 -7.92 34.56 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 54.43 112.462 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -171.7 109.3 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.859 0.362 . . . . 75.049999999999997 110.918 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -104.95 120.05 40.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 51.350000000000001 110.907 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 54.6 t -129.67 113.83 28.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 74.409999999999997 111.122 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 43.3 m170 -120.32 112.92 19.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 71.450000000000003 110.852 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -127.36 133.95 50.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 75.349999999999994 110.828 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.7 139.09 54.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 71.439999999999998 110.893 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -122.86 115.69 22.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 73.519999999999996 110.887 179.927 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -128.1 101.57 6.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 74.420000000000002 110.917 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 85.7 t -108.06 114.49 46.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 73.129999999999995 111.154 179.833 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -114.6 105.43 13.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 75.140000000000001 110.894 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 59.01 81.24 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 74.329999999999998 110.948 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.88 114.36 26.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 75.239999999999995 111.092 179.98 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 63.6 108.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 75.209999999999994 110.89 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 90.6 t -124.71 122.2 63.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 72.400000000000006 111.166 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.82 -49.94 64.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 45.43 112.514 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -151.17 121.36 7.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.929 0.395 . . . . 74.340000000000003 110.836 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 11.5 m-20 -91.85 98.95 11.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 65.310000000000002 110.851 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 tptp -120.6 140.09 52.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 75.109999999999999 110.915 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.01 -140.36 23.03 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 63.299999999999997 112.513 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.05 114.31 21.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 73.430000000000007 111.08 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 10.0 mm -113.55 108.04 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 62.43 111.155 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 36.3 mt -124.57 114.42 40.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 73.439999999999998 111.114 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.16 -41.31 78.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.749 -0.738 . . . . 74.140000000000001 112.478 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . 0.557 ' CD2' ' C ' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -171.34 149.15 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 72.109999999999999 110.906 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -124.96 114.83 19.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 71.439999999999998 110.89 179.826 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 4.4 p -140.89 114.28 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 75.5 111.141 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.47 19.42 33.77 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 75.430000000000007 112.508 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -112.01 -168.44 18.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 73.549999999999997 112.464 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 3.3 p -168.88 132.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 72.239999999999995 111.12 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 34.2 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 75.010000000000005 111.119 179.922 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.799 0.333 . . . . 74.0 110.869 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.62 91.66 4.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 52.409999999999997 111.103 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.35 -30.21 38.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 73.120000000000005 110.945 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -162.29 113.96 1.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 75.450000000000003 110.868 -179.897 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -135.53 108.51 7.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 75.450000000000003 110.865 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -111.71 109.2 18.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 75.120000000000005 110.861 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -111.3 102.45 10.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 72.430000000000007 110.816 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.8 t -149.14 176.82 10.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 75.430000000000007 110.88 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.09 -19.27 9.12 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.739 -0.743 . . . . 74.5 112.426 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -156.03 110.94 2.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.825 0.345 . . . . 74.209999999999994 110.924 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -103.2 119.69 39.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 74.019999999999996 110.848 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.9 t -130.74 113.73 25.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 74.340000000000003 111.135 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -118.36 118.72 32.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 62.509999999999998 110.856 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -130.12 114.45 15.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 74.230000000000004 110.882 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.34 133.48 55.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 72.530000000000001 110.875 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -133.62 115.56 14.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 73.319999999999993 110.907 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -113.22 109.81 19.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 74.329999999999998 110.937 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 39.6 t -105.05 111.22 33.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 73.209999999999994 111.128 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 -102.19 105.39 16.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 65.430000000000007 110.892 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 57.48 92.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 72.430000000000007 110.833 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.19 137.63 51.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 64.209999999999994 111.119 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.88 86.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.415 . . . . 64.340000000000003 110.843 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -122.86 129.63 75.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 74.239999999999995 111.116 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.91 -35.55 40.17 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.757 -0.735 . . . . 61.240000000000002 112.505 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.79 138.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.907 0.384 . . . . 61.350000000000001 110.859 -179.744 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -100.2 100.03 10.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 73.25 110.908 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.95 150.27 34.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 71.439999999999998 110.891 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.85 -129.74 27.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 63.109999999999999 112.503 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.71 113.93 27.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.756 0.312 . . . . 74.129999999999995 111.09 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.86 118.46 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 74.450000000000003 111.123 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mt -132.07 122.28 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.469 . . . . 73.319999999999993 111.104 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.01 -51.0 20.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 63.299999999999997 112.536 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.553 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -158.78 159.2 34.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 74.239999999999995 110.898 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttp -133.31 122.98 24.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 73.230000000000004 110.87 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.2 t -134.32 113.16 16.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 74.510000000000005 111.159 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.31 26.97 73.43 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.705 -0.76 . . . . 74.239999999999995 112.504 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.19 -173.82 15.18 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.776 -0.726 . . . . 74.439999999999998 112.449 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.5 p -164.24 151.0 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 72.150000000000006 111.141 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.1 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 73.340000000000003 111.144 179.944 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.87 0.367 . . . . 60.140000000000001 110.89 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.18 91.9 5.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 54.009999999999998 111.134 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -52.67 -28.33 21.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 71.209999999999994 110.886 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -162.72 114.32 1.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 74.200000000000003 110.863 -179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -133.09 108.5 8.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 74.310000000000002 110.858 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 68.1 t60 -111.15 110.44 20.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 75.430000000000007 110.838 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -112.42 101.83 9.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 74.340000000000003 110.856 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.411 ' O ' ' HA ' ' C' ' 8' ' ' SER . 7.7 t -148.14 176.4 10.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 62.200000000000003 110.843 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.35 -18.84 9.32 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.78 -0.724 . . . . 71.230000000000004 112.491 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -156.09 110.76 2.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.924 0.393 . . . . 73.209999999999994 110.942 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -101.6 119.0 38.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 74.310000000000002 110.866 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 30.3 t -129.61 114.03 29.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 64.329999999999998 111.118 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 67.1 m170 -119.51 120.18 36.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 73.120000000000005 110.895 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -128.18 116.78 20.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 73.420000000000002 110.873 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.74 132.29 55.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 75.540000000000006 110.919 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -131.77 115.99 16.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 75.219999999999999 110.846 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -115.59 106.68 14.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 74.239999999999995 110.897 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 40.7 t -103.23 109.85 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 70.219999999999999 111.139 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 12.5 m-30 -102.28 101.75 12.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 75.200000000000003 110.905 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 58.62 92.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 64.239999999999995 110.871 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.01 138.66 50.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 73.239999999999995 111.127 179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.14 86.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 73.329999999999998 110.868 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -123.8 127.77 73.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 72.319999999999993 111.1 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.37 -34.34 41.27 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 75.219999999999999 112.5 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.13 138.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 75.450000000000003 110.869 -179.745 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -100.96 99.56 10.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 75.25 110.889 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.45 153.58 30.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 71.310000000000002 110.939 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.65 -128.67 29.87 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 74.310000000000002 112.48 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.73 114.18 28.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 74.5 111.085 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.429 HG13 ' CG2' ' C' ' 31' ' ' ILE . 0.0 OUTLIER -121.59 115.19 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 74.049999999999997 111.169 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -131.27 122.05 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 64.120000000000005 111.126 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.74 -50.47 31.49 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 75.099999999999994 112.509 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.548 ' N ' ' CD1' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -158.49 155.93 29.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 75.439999999999998 110.924 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttp -128.1 120.84 28.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 75.219999999999999 110.858 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 63.8 t -137.06 112.83 11.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 74.329999999999998 111.101 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.38 28.62 73.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 70.430000000000007 112.456 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.03 -174.76 15.99 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 72.129999999999995 112.472 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 p -164.69 150.03 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.907 0.385 . . . . 74.329999999999998 111.103 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 13.8 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 72.549999999999997 111.125 179.938 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.814 0.34 . . . . 75.329999999999998 110.88 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.81 92.03 5.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 72.400000000000006 111.105 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.67 -28.12 31.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 74.409999999999997 110.892 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -162.54 114.12 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 74.439999999999998 110.902 -179.929 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -131.34 108.58 9.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 75.030000000000001 110.874 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -111.54 109.44 19.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 75.299999999999997 110.832 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -111.53 101.92 10.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 64.519999999999996 110.861 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 8' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' B' ' 8' ' ' SER . 7.7 t -148.58 176.02 10.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 74.209999999999994 110.873 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.66 -18.4 9.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.802 -0.713 . . . . 74.120000000000005 112.511 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -155.91 110.99 2.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.88 0.371 . . . . 72.439999999999998 110.895 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -100.97 119.12 38.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 71.349999999999994 110.898 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 30.2 t -128.17 113.91 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 70.209999999999994 111.106 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 66.6 m170 -120.28 118.56 30.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 72.430000000000007 110.841 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -127.5 117.06 21.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 64.239999999999995 110.882 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.67 131.98 55.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 74.140000000000001 110.931 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -128.86 116.28 19.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 74.25 110.879 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -117.95 104.96 11.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 65.549999999999997 110.952 179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 41.5 t -102.71 110.06 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 74.230000000000004 111.145 179.87 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 10.5 m-30 -102.37 100.94 11.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 73.329999999999998 110.908 -179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 57.83 92.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 74.230000000000004 110.825 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.7 138.28 51.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 73.019999999999996 111.089 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.49 86.81 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 73.230000000000004 110.821 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.63 127.31 72.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 72.219999999999999 111.142 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.68 -34.12 35.54 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 72.530000000000001 112.467 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.85 138.43 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.915 0.388 . . . . 74.25 110.807 -179.766 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -101.33 99.81 10.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.511 . . . . 73.299999999999997 110.859 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.18 154.34 30.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 74.430000000000007 110.9 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.85 -128.3 28.9 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.756 . . . . 53.350000000000001 112.49 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.47 113.53 27.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.748 0.309 . . . . 74.430000000000007 111.11 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . 0.463 HG13 ' CG2' ' D' ' 31' ' ' ILE . 0.0 OUTLIER -119.79 113.09 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 64.340000000000003 111.128 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -129.72 121.74 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 64.450000000000003 111.118 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.25 -51.23 31.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.735 . . . . 62.109999999999999 112.521 179.872 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.548 ' CD1' ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -156.64 154.81 30.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 62.240000000000002 110.88 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.5 ttp -127.82 119.46 25.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 64.450000000000003 110.898 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 72.7 t -137.57 112.01 9.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 75.5 111.127 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.4 30.05 75.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.707 -0.758 . . . . 72.439999999999998 112.537 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.29 -174.61 16.4 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.75 . . . . 75.340000000000003 112.507 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 14.6 p -164.42 150.24 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.922 0.391 . . . . 73.340000000000003 111.107 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 12.3 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 74.310000000000002 111.165 179.915 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.813 0.34 . . . . 74.349999999999994 110.874 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.91 91.95 5.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 72.319999999999993 111.11 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.92 -27.83 33.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 74.140000000000001 110.855 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.81 114.18 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 73.340000000000003 110.891 -179.869 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -130.4 108.32 9.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 74.5 110.913 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -112.47 108.99 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 75.040000000000006 110.869 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -110.6 101.88 10.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 73.120000000000005 110.852 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 8' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' C' ' 8' ' ' SER . 7.7 t -149.29 174.52 12.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 74.019999999999996 110.849 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.15 -17.08 10.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.785 -0.721 . . . . 74.109999999999999 112.509 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -155.77 110.39 2.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 70.150000000000006 110.911 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -100.29 119.69 38.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 73.430000000000007 110.928 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 30.2 t -127.18 114.24 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 74.299999999999997 111.158 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 66.1 m170 -121.51 117.4 26.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 73.040000000000006 110.884 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -127.39 117.68 22.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 72.340000000000003 110.853 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.0 132.44 55.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 55.509999999999998 110.943 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -127.18 115.68 19.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 72.010000000000005 110.874 179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -120.58 103.92 9.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 73.420000000000002 110.887 179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 40.0 t -102.92 112.01 34.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 62.240000000000002 111.155 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 0.406 ' CG ' HD13 ' D' ' 34' ' ' LEU . 9.4 m-30 -101.84 101.07 11.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 71.400000000000006 110.847 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 58.15 92.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 74.239999999999995 110.891 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.79 139.52 50.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 73.549999999999997 111.082 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.82 85.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 72.219999999999999 110.872 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p -125.39 126.7 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 73.310000000000002 111.121 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.21 -34.34 40.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 72.230000000000004 112.536 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.99 138.46 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 74.319999999999993 110.865 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -99.58 99.99 10.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 72.409999999999997 110.918 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.93 154.26 29.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 74.040000000000006 110.878 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.66 -128.54 29.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 65.329999999999998 112.438 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.41 113.3 26.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 51.439999999999998 111.13 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . 0.463 ' CG2' HG13 ' C' ' 31' ' ' ILE . 0.0 OUTLIER -117.56 113.5 42.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 74.430000000000007 111.109 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -129.41 121.16 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 62.210000000000001 111.13 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.65 -51.87 31.47 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 71.109999999999999 112.485 179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.517 ' N ' ' CD1' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -155.22 153.43 30.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 74.409999999999997 110.939 -179.886 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 2.6 mtp -128.33 118.53 23.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 73.409999999999997 110.892 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 76.9 t -138.18 111.53 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 70.5 111.093 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.88 30.3 76.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 74.420000000000002 112.476 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.23 -173.91 16.75 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.682 -0.771 . . . . 74.450000000000003 112.433 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 12.9 p -163.16 150.79 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.368 . . . . 71.140000000000001 111.125 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 12.7 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 63.399999999999999 111.099 179.926 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.822 0.344 . . . . 72.310000000000002 110.874 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.3 91.87 5.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 54.229999999999997 111.136 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.7 -27.77 29.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 71.299999999999997 110.89 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -160.67 115.24 2.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 73.120000000000005 110.876 -179.912 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -129.14 107.67 9.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 71.200000000000003 110.859 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -112.73 108.76 17.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 74.120000000000005 110.863 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -108.68 101.1 10.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 72.049999999999997 110.877 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 7.5 t -152.34 169.79 21.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 75.349999999999994 110.865 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.54 -14.15 15.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 74.109999999999999 112.511 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -153.37 108.77 3.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.345 . . . . 74.129999999999995 110.92 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -101.1 120.81 40.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 62.109999999999999 110.874 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 30.0 t -125.4 114.34 39.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 64.439999999999998 111.137 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 64.8 m170 -122.82 115.82 22.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 70.340000000000003 110.887 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -128.5 120.39 26.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 75.310000000000002 110.828 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.74 133.61 54.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 74.430000000000007 110.934 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -125.64 115.76 20.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 71.239999999999995 110.898 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -123.16 104.04 8.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 73.120000000000005 110.899 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 40.1 t -102.04 114.75 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 72.510000000000005 111.111 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -102.67 97.32 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 72.239999999999995 110.911 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 58.99 90.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 73.209999999999994 110.86 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.99 139.59 49.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 71.400000000000006 111.13 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.67 85.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 63.329999999999998 110.856 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -124.11 124.58 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 73.329999999999998 111.137 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.26 -32.96 37.73 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.751 -0.738 . . . . 64.200000000000003 112.498 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -179.0 136.58 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 74.510000000000005 110.909 -179.75 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 22.6 m-20 -98.91 99.43 10.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 72.519999999999996 110.902 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -115.91 155.07 28.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 73.400000000000006 110.892 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.13 -130.63 29.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.745 . . . . 52.32 112.481 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.82 114.64 28.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.746 0.308 . . . . 73.239999999999995 111.107 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . 0.404 ' CG2' HG13 ' D' ' 31' ' ' ILE . 0.0 OUTLIER -115.46 114.2 45.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 74.230000000000004 111.13 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -129.22 117.54 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 73.150000000000006 111.076 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.82 -48.19 51.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.673 -0.775 . . . . 74.549999999999997 112.492 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.483 ' N ' ' CD1' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -155.22 154.04 31.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 74.530000000000001 110.921 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -130.5 118.1 20.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 71.129999999999995 110.866 179.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 58.5 t -142.62 111.02 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 63.450000000000003 111.127 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.28 30.59 78.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 74.019999999999996 112.475 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.2 -173.39 16.53 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.726 . . . . 71.329999999999998 112.435 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 12.1 p -162.14 150.72 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 74.439999999999998 111.158 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 15.4 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 75.25 111.118 179.94 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.864 0.364 . . . . 71.340000000000003 110.862 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.83 91.55 5.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 74.030000000000001 111.088 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.59 -29.67 38.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 70.420000000000002 110.908 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.32 114.18 1.9 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 74.109999999999999 110.926 -179.946 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -134.1 108.73 8.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 75.019999999999996 110.867 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -111.05 109.14 19.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 74.430000000000007 110.897 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -111.21 102.27 10.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 72.239999999999995 110.866 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 7.8 t -149.51 176.54 10.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 74.530000000000001 110.892 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.4 -19.3 8.95 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 62.109999999999999 112.498 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -156.02 110.93 2.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.822 0.344 . . . . 74.430000000000007 110.969 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -102.59 119.44 38.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 71.140000000000001 110.87 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 29.8 t -129.8 114.07 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 62.43 111.163 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 66.6 m170 -117.95 118.96 33.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 73.540000000000006 110.877 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -131.46 112.91 13.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 74.530000000000001 110.86 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.52 133.51 55.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 75.329999999999998 110.893 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -133.9 115.65 14.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 75.049999999999997 110.912 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -113.12 110.13 19.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 74.310000000000002 110.922 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 39.2 t -105.44 111.68 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 74.239999999999995 111.178 179.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 14.2 m-30 -102.17 105.71 16.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 72.129999999999995 110.911 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 57.49 92.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 72.209999999999994 110.848 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -114.68 138.35 50.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 75.030000000000001 111.099 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.55 85.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 63.119999999999997 110.858 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -123.08 129.69 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 65.019999999999996 111.141 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.04 -35.92 42.1 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.724 -0.75 . . . . 63.409999999999997 112.5 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 179.98 136.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.872 0.368 . . . . 63.340000000000003 110.873 -179.809 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -98.91 99.7 10.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 75.219999999999999 110.866 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.45 150.62 32.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 73.019999999999996 110.874 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.57 -131.89 29.43 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.718 -0.753 . . . . 53.43 112.517 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.55 113.43 26.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.318 . . . . 73.25 111.134 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.67 119.16 56.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 74.420000000000002 111.131 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mt -132.49 122.36 47.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 72.530000000000001 111.164 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.95 -51.28 19.28 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 31.02 112.461 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.56 ' N ' ' CD1' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -158.85 158.86 34.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.79 0.329 . . . . 71.129999999999995 110.931 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttp -132.93 122.76 24.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 73.239999999999995 110.864 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 53.0 t -134.22 112.92 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 72.140000000000001 111.139 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.29 26.86 73.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 60.200000000000003 112.492 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.44 -173.74 15.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 64.439999999999998 112.454 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 12.1 p -164.85 151.85 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.353 . . . . 73.239999999999995 111.14 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 18.3 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 74.25 111.128 179.943 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.814 0.34 . . . . 73.400000000000006 110.853 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.54 91.48 5.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 73.540000000000006 111.115 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -52.7 -28.86 23.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 75.040000000000006 110.886 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -162.84 114.57 1.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 75.230000000000004 110.926 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -132.47 108.4 9.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 71.530000000000001 110.893 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -110.43 109.8 20.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 73.200000000000003 110.882 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -111.68 101.49 9.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 75.540000000000006 110.845 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 8' ' ' SER . . . . . 0.411 ' O ' ' HA ' ' H' ' 8' ' ' SER . 7.7 t -148.37 176.25 10.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 73.439999999999998 110.838 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.57 -18.81 9.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.731 . . . . 65.340000000000003 112.536 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -156.11 110.49 2.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.862 0.363 . . . . 75.400000000000006 110.944 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -100.92 118.94 37.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 70.209999999999994 110.859 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 30.6 t -128.66 114.06 31.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 74.230000000000004 111.158 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 67.3 m170 -119.2 119.45 34.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 75.510000000000005 110.845 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -128.89 116.33 19.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 73.030000000000001 110.879 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.72 132.41 55.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 75.340000000000003 110.903 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -131.8 116.31 17.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 64.219999999999999 110.882 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -115.47 106.99 14.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 73.420000000000002 110.934 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 41.2 t -103.55 110.35 29.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.479 . . . . 73.349999999999994 111.105 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 12.6 m-30 -102.32 102.21 12.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 61.43 110.87 -179.991 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 58.56 92.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 71.219999999999999 110.879 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -115.3 138.72 50.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 72.349999999999994 111.103 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.07 86.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.432 . . . . 70.25 110.86 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -123.7 127.62 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 73.150000000000006 111.111 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.29 -34.34 40.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 74.299999999999997 112.488 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.05 137.45 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 54.43 110.857 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -100.9 98.95 9.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 72.549999999999997 110.835 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.16 154.71 28.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 74.109999999999999 110.896 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.17 -129.42 31.86 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 74.040000000000006 112.488 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.02 113.84 27.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.322 . . . . 75.450000000000003 111.12 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . 0.431 HG13 ' CG2' ' H' ' 31' ' ' ILE . 0.0 OUTLIER -121.49 115.85 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 72.510000000000005 111.128 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -131.53 122.02 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 75.329999999999998 111.148 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.58 -51.08 28.93 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.715 -0.755 . . . . 50.43 112.502 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.548 ' N ' ' CD1' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -158.32 156.17 30.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.8 0.333 . . . . 75.340000000000003 110.921 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttp -128.43 120.73 27.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 62.32 110.895 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 66.4 t -136.79 112.26 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 73.329999999999998 111.101 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.43 28.94 73.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 64.120000000000005 112.535 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.11 -174.52 15.88 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 74.5 112.505 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 14.6 p -164.73 150.46 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.38 . . . . 75.409999999999997 111.102 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 13.6 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 74.209999999999994 111.103 179.965 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.856 0.36 . . . . 72.299999999999997 110.89 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.73 91.72 5.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 75.439999999999998 111.105 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.65 -29.07 36.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 73.439999999999998 110.925 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.85 114.75 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 74.030000000000001 110.894 -179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -131.45 108.56 9.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.430000000000007 110.859 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -111.34 109.28 19.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 75.319999999999993 110.851 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -111.45 101.85 10.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 70.299999999999997 110.839 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 8' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' G' ' 8' ' ' SER . 7.6 t -148.64 175.84 10.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 64.340000000000003 110.854 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.64 -18.48 9.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 70.209999999999994 112.457 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -155.99 110.75 2.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 75.329999999999998 110.965 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -100.44 118.99 37.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 74.120000000000005 110.874 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 31.1 t -127.73 114.26 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 73.209999999999994 111.137 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 66.2 m170 -120.09 118.55 30.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 75.030000000000001 110.885 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -128.28 116.75 20.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 75.409999999999997 110.822 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.02 132.28 54.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 71.25 110.932 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -129.36 116.45 19.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 73.129999999999995 110.871 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -117.15 105.25 12.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 74.239999999999995 110.869 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 41.7 t -102.8 110.06 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 62.509999999999998 111.098 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 10.9 m-30 -102.1 101.1 11.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 74.239999999999995 110.853 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 57.88 91.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 72.109999999999999 110.897 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.27 138.74 51.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 71.439999999999998 111.066 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.3 86.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 73.129999999999995 110.872 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 7.5 p -124.21 126.98 73.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 64.140000000000001 111.141 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.05 -33.92 38.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.71 -0.757 . . . . 72.310000000000002 112.502 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.6 137.39 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 45.030000000000001 110.831 -179.759 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 11.7 m-20 -101.15 98.98 9.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 75.219999999999999 110.892 -179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.32 155.35 27.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 75.150000000000006 110.924 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.23 -129.0 31.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 71.120000000000005 112.495 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.0 113.56 27.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.719 0.295 . . . . 72.430000000000007 111.098 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . 0.467 HG13 ' CG2' ' I' ' 31' ' ' ILE . 0.0 OUTLIER -119.43 114.0 42.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 75.450000000000003 111.104 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -130.28 121.45 51.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 73.310000000000002 111.137 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.06 -51.81 28.84 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.742 -0.742 . . . . 74.030000000000001 112.537 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . 0.55 ' CD1' ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -156.46 154.84 31.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.331 . . . . 75.430000000000007 110.928 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttp -127.99 119.39 25.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 74.239999999999995 110.92 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 71.8 t -137.27 112.07 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 74.129999999999995 111.149 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.7 30.41 77.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.783 -0.722 . . . . 73.510000000000005 112.495 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.3 -174.18 16.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 73.310000000000002 112.493 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 13.2 p -164.46 151.24 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 72.450000000000003 111.169 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 13.6 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 73.219999999999999 111.102 179.957 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.848 0.356 . . . . 74.310000000000002 110.84 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.42 91.69 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 71.329999999999998 111.048 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.47 -28.91 33.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 71.120000000000005 110.891 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.79 114.84 1.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 73.430000000000007 110.854 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -130.36 108.38 9.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 65.409999999999997 110.823 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -111.75 108.73 18.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 72.109999999999999 110.871 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -110.5 101.91 10.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 74.430000000000007 110.882 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 8' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' H' ' 8' ' ' SER . 7.7 t -149.41 174.49 12.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 64.120000000000005 110.857 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.82 -17.34 10.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 63.539999999999999 112.495 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -155.91 111.05 2.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.85 0.357 . . . . 74.510000000000005 110.93 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -100.42 119.81 39.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 73.109999999999999 110.867 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 31.7 t -127.12 114.26 36.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 74.129999999999995 111.124 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 65.9 m170 -121.56 117.92 27.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.168 -0.469 . . . . 73.209999999999994 110.807 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -128.72 117.74 21.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 61.520000000000003 110.839 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.11 132.06 54.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 75.25 110.9 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 12.6 tttp -127.07 116.22 20.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 75.340000000000003 110.908 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -119.19 104.23 10.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 73.219999999999999 110.937 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 40.4 t -102.52 111.89 33.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 74.049999999999997 111.155 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . 0.41 ' CG ' HD13 ' I' ' 34' ' ' LEU . 10.0 m-30 -101.7 99.97 10.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 73.409999999999997 110.885 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 58.99 91.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 73.310000000000002 110.895 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.19 139.31 50.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 71.530000000000001 111.095 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.61 86.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 73.150000000000006 110.87 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 7.1 p -126.02 126.19 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 72.219999999999999 111.129 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.89 -34.39 37.69 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.793 -0.718 . . . . 65.510000000000005 112.462 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -178.37 137.77 0.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.958 0.409 . . . . 73.150000000000006 110.84 -179.742 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 13.8 m-20 -99.59 99.4 10.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 75.230000000000004 110.928 -179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.51 155.36 26.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 74.230000000000004 110.863 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.97 -130.32 33.04 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 73.299999999999997 112.455 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.08 113.49 27.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.734 0.302 . . . . 75.219999999999999 111.065 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . 0.467 ' CG2' HG13 ' H' ' 31' ' ' ILE . 0.0 OUTLIER -117.31 114.47 45.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 72.239999999999995 111.111 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -129.96 121.07 51.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 74.540000000000006 111.107 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.55 -52.56 28.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 72.409999999999997 112.47 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . 0.526 ' N ' ' CD1' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -154.9 153.68 31.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.786 0.327 . . . . 75.129999999999995 110.949 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.6 mtp -128.64 118.63 23.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 73.430000000000007 110.917 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 73.8 t -138.49 111.12 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 62.340000000000003 111.132 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.14 30.11 76.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.78 -0.724 . . . . 72.430000000000007 112.494 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.7 -173.55 16.88 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.757 . . . . 74.129999999999995 112.514 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 12.2 p -163.76 151.35 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.891 0.377 . . . . 74.349999999999994 111.087 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 14.3 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 63.420000000000002 111.122 179.908 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.821 0.343 . . . . 74.430000000000007 110.822 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.8 91.67 5.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 72.439999999999998 111.089 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.05 -29.24 28.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 75.299999999999997 110.858 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -161.03 115.31 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 74.439999999999998 110.926 -179.918 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -129.45 108.11 10.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 74.430000000000007 110.892 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -112.79 108.59 17.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 75.430000000000007 110.9 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -108.91 101.39 10.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 72.319999999999993 110.841 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 7.7 t -151.73 169.54 21.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 62.039999999999999 110.881 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.37 -15.05 14.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.803 -0.713 . . . . 74.120000000000005 112.482 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -154.25 109.08 3.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 74.420000000000002 110.943 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -99.58 120.56 39.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 63.5 110.881 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 31.0 t -125.16 114.19 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 74.439999999999998 111.105 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -122.68 116.69 24.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 72.230000000000004 110.809 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -128.54 119.5 24.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 75.010000000000005 110.859 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.26 133.27 54.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 75.310000000000002 110.918 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 12.1 tttp -126.94 115.81 19.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 73.209999999999994 110.883 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -122.29 104.24 9.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 74.109999999999999 110.913 179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 39.1 t -102.0 114.92 42.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 73.420000000000002 111.143 179.846 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -102.75 97.18 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 71.120000000000005 110.891 -179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 59.39 90.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 70.340000000000003 110.862 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -116.09 140.53 49.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 71.049999999999997 111.089 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.44 85.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 71.140000000000001 110.905 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -125.12 124.76 68.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 74.549999999999997 111.109 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.03 -33.27 36.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.746 . . . . 64.150000000000006 112.498 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.94 135.89 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.872 0.367 . . . . 72.040000000000006 110.873 -179.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 19.8 m-20 -97.91 99.0 10.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 72.219999999999999 110.863 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.93 155.47 26.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 74.299999999999997 110.877 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.72 -132.26 31.8 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 70.510000000000005 112.442 179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.55 114.37 27.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.752 0.31 . . . . 74.420000000000002 111.13 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . 0.414 ' CG2' HG13 ' I' ' 31' ' ' ILE . 0.0 OUTLIER -115.0 115.57 49.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 73.349999999999994 111.121 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -130.04 118.32 43.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 72.140000000000001 111.152 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.84 -49.5 47.75 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.752 . . . . 74.409999999999997 112.515 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . 0.495 ' N ' ' CD1' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -154.8 153.58 31.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.757 0.313 . . . . 74.310000000000002 110.969 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -130.69 117.71 19.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 74.140000000000001 110.902 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 73.9 t -143.16 111.05 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 65.120000000000005 111.086 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.61 30.29 77.06 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.721 -0.752 . . . . 75.200000000000003 112.491 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.12 -173.06 16.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.8 -0.714 . . . . 73.420000000000002 112.488 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 11.9 p -162.99 149.97 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 73.430000000000007 111.159 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 16.5 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 74.420000000000002 111.119 179.931 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.815 0.341 . . . . 64.200000000000003 110.889 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.32 84.46 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 64.439999999999998 111.08 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -52.99 -31.78 42.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 64.349999999999994 110.897 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.2 m-85 -156.4 113.16 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 72.409999999999997 110.872 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.99 108.31 6.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 74.209999999999994 110.855 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -112.43 131.22 55.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 73.530000000000001 110.872 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -135.47 101.56 4.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 74.420000000000002 110.832 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.6 m -145.35 176.44 9.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 62.340000000000003 110.852 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.35 -9.98 49.35 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.79 -0.719 . . . . 72.519999999999996 112.502 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.25 114.73 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.88 0.371 . . . . 74.019999999999996 110.956 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -97.77 120.12 37.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 73.349999999999994 110.897 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.3 t -127.13 125.33 66.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 75.409999999999997 111.156 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -137.85 118.75 14.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 74.329999999999998 110.844 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -136.08 133.34 37.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 73.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -122.9 133.31 54.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 75.129999999999995 110.938 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.7 tptm -128.72 118.91 23.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 71.349999999999994 110.903 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.75 103.75 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 74.140000000000001 110.939 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -109.73 111.22 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 74.349999999999994 111.108 179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -103.32 141.12 36.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 75.310000000000002 110.901 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 17.2 m-85 62.64 36.18 13.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 74.430000000000007 110.898 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.6 125.92 34.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 71.140000000000001 111.051 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.36 72.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 62.420000000000002 110.808 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 p -139.36 139.95 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.310000000000002 111.108 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.79 -92.29 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 70.120000000000005 112.461 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.0 m -125.06 143.6 50.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 74.140000000000001 110.87 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 1.2 m-80 -100.13 99.48 10.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 62.549999999999997 110.91 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.39 168.59 10.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 74.340000000000003 110.866 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.31 -125.27 20.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 71.519999999999996 112.481 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.74 114.16 27.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.751 0.31 . . . . 61.420000000000002 111.108 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -129.25 117.8 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 63.509999999999998 111.124 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.3 mt -133.98 119.19 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 74.5 111.111 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.01 -54.37 18.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 54.420000000000002 112.503 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.595 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -159.45 152.11 21.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.794 0.331 . . . . 71.349999999999994 110.951 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 10.9 mtp -134.53 127.96 32.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 73.019999999999996 110.884 179.849 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 45.2 t -130.16 119.03 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 74.5 111.142 179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.31 25.21 64.5 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.711 -0.757 . . . . 65.420000000000002 112.516 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.24 157.48 22.01 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.767 -0.73 . . . . 42.409999999999997 112.512 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 m -123.8 177.74 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.842 0.353 . . . . 62.450000000000003 111.136 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 m . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 75.549999999999997 111.165 179.907 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.828 0.347 . . . . 71.209999999999994 110.853 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.37 84.38 2.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 74.129999999999995 111.078 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -52.54 -29.97 28.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 74.140000000000001 110.89 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -157.74 112.24 2.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 73.340000000000003 110.905 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.43 107.38 7.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 75.420000000000002 110.885 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -112.55 130.55 55.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 72.200000000000003 110.858 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -134.99 101.49 4.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.310000000000002 110.82 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 10.5 m -144.65 176.12 9.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 75.519999999999996 110.897 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.65 -10.11 48.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.786 -0.721 . . . . 75.329999999999998 112.514 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -172.44 113.0 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 74.329999999999998 110.94 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -95.4 120.38 35.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 74.439999999999998 110.863 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 56.5 t -125.85 124.01 65.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 75.409999999999997 111.15 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -138.19 117.41 12.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 65.530000000000001 110.877 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -136.05 133.32 37.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 75.25 110.866 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -120.19 134.11 55.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 62.340000000000003 110.935 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 8.7 tptm -124.75 118.92 27.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 73.349999999999994 110.915 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -127.74 103.72 7.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 74.439999999999998 110.912 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 t -110.76 112.99 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 72.109999999999999 111.175 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.6 m-85 -107.37 136.71 46.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 75.420000000000002 110.858 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 62.3 35.19 15.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 63.32 110.849 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.12 124.77 33.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 74.109999999999999 111.093 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.84 72.92 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 74.439999999999998 110.863 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 4.9 p -139.89 139.61 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 75.340000000000003 111.18 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.56 -91.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 74.230000000000004 112.53 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 27.0 m -124.12 143.6 50.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 70.25 110.83 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -102.02 99.92 10.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 74.319999999999993 110.925 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.77 169.77 8.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 75.439999999999998 110.888 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.76 -126.89 26.61 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.704 -0.76 . . . . 74.329999999999998 112.481 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.96 113.32 26.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.754 0.311 . . . . 75.239999999999995 111.09 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -127.31 116.84 45.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 74.25 111.101 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 5.6 mt -131.42 120.19 45.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.519999999999996 111.143 179.814 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.53 -55.53 16.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.684 -0.77 . . . . 55.240000000000002 112.505 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.583 ' N ' ' CD1' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -155.58 151.14 27.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 74.040000000000006 110.939 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 10.1 mtp -131.91 123.21 26.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 71.510000000000005 110.875 179.831 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 44.6 t -130.2 117.68 41.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 71.209999999999994 111.151 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.34 26.43 61.7 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.771 -0.728 . . . . 70.209999999999994 112.464 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.37 157.15 21.62 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 70.400000000000006 112.483 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 10.4 m -123.55 177.37 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 73.239999999999995 111.163 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 16.8 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 75.019999999999996 111.104 179.903 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.808 0.337 . . . . 72.530000000000001 110.875 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.15 84.03 2.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 73.530000000000001 111.135 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -53.49 -28.6 31.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 75.109999999999999 110.884 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 1.4 m-85 -157.41 112.46 2.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 75.420000000000002 110.919 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.59 106.75 7.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 73.150000000000006 110.914 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -113.04 131.13 55.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 75.400000000000006 110.865 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -135.43 101.52 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 73.239999999999995 110.879 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 10.4 m -144.24 175.78 9.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 64.230000000000004 110.88 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.68 -10.11 47.89 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.788 -0.72 . . . . 61.32 112.475 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -172.39 112.72 0.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.872 0.368 . . . . 74.299999999999997 110.935 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.95 120.36 35.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 74.430000000000007 110.926 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 56.9 t -125.06 123.59 65.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 72.129999999999995 111.102 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -138.26 116.64 11.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 75.129999999999995 110.839 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -135.31 134.87 40.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 71.219999999999999 110.84 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -121.44 134.62 55.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 74.430000000000007 110.903 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 8.5 tptm -123.15 117.88 26.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 73.010000000000005 110.896 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -128.91 103.25 6.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 73.140000000000001 110.893 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 1.4 t -112.01 114.33 46.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 74.319999999999993 111.106 179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 3.0 m-85 -107.89 136.2 48.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 72.319999999999993 110.897 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 21.9 m-85 60.87 35.56 19.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 71.430000000000007 110.919 -179.857 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.49 124.75 33.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 72.010000000000005 111.103 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.0 73.46 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 70.030000000000001 110.891 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 5.7 p -140.18 139.17 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 75.230000000000004 111.164 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.8 -91.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 64.239999999999995 112.487 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 26.7 m -123.82 143.1 50.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 50.329999999999998 110.882 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . 0.413 ' N ' HD21 ' C' ' 27' ' ' ASN . 1.3 m-80 -102.18 99.92 10.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 75.219999999999999 110.874 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.17 170.57 8.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 74.409999999999997 110.915 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.81 -127.79 28.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 73.25 112.453 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.0 112.95 25.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.736 0.303 . . . . 71.120000000000005 111.089 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.63 116.29 44.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 73.239999999999995 111.12 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 mt -130.35 119.78 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 74.340000000000003 111.099 179.859 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.87 -56.17 12.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 53.109999999999999 112.483 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.598 ' CD1' ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -154.16 149.73 27.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.812 0.339 . . . . 73.420000000000002 110.925 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 10.3 mtp -130.41 122.69 28.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 74.420000000000002 110.889 179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 47.5 t -131.58 117.87 36.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.267 -0.424 . . . . 73.439999999999998 111.089 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.12 27.2 57.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 71.209999999999994 112.524 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.53 157.06 21.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.742 -0.742 . . . . 72.349999999999994 112.531 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 9.0 m -123.32 177.16 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 71.25 111.17 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 16.7 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 74.129999999999995 111.138 179.925 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.821 0.343 . . . . 73.310000000000002 110.878 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.26 84.92 3.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 74.540000000000006 111.087 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.65 -27.47 27.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 72.430000000000007 110.855 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -156.92 112.82 2.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 75.150000000000006 110.887 -179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.56 107.18 8.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 65.230000000000004 110.905 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -114.39 131.21 56.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 70.430000000000007 110.855 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -134.67 101.57 4.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 73.409999999999997 110.858 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 10.0 m -144.39 174.67 10.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 71.239999999999995 110.853 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.02 -9.32 48.97 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.718 -0.753 . . . . 63.420000000000002 112.485 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -172.16 113.5 0.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 75.5 110.961 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.45 121.22 36.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 75.530000000000001 110.872 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 53.7 t -124.65 122.79 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 72.219999999999999 111.159 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -138.56 116.79 11.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 72.200000000000003 110.869 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -136.29 135.48 38.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 71.340000000000003 110.851 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -122.65 134.88 54.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 73.510000000000005 110.902 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -121.81 116.7 24.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 75.010000000000005 110.829 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -130.37 103.43 6.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 74.430000000000007 110.93 179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -112.91 117.1 54.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 73.239999999999995 111.094 179.867 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' D' ' 19' ' ' PHE . 1.9 m-85 -108.92 136.72 48.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 75.219999999999999 110.865 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 59.24 34.7 23.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 72.420000000000002 110.823 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.33 125.4 34.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 74.519999999999996 111.113 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.71 72.37 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 64.129999999999995 110.804 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 p -140.15 138.01 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 73.409999999999997 111.11 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.23 -91.2 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 62.340000000000003 112.502 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 26.5 m -123.72 142.75 50.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 73.439999999999998 110.901 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . 0.426 ' N ' HD21 ' D' ' 27' ' ' ASN . 1.4 m-80 -101.96 99.75 9.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 73.209999999999994 110.924 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.69 170.83 8.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 74.25 110.937 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.07 -127.83 29.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 71.150000000000006 112.489 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.52 112.83 25.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.714 0.292 . . . . 72.129999999999995 111.097 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.99 116.69 45.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 73.5 111.145 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -129.9 119.51 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 74.420000000000002 111.118 179.861 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.65 -57.48 9.47 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 45.219999999999999 112.506 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.615 ' N ' ' CD1' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -152.56 147.65 26.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.864 0.364 . . . . 74.540000000000006 110.898 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 10.8 mtp -130.99 122.41 26.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 73.239999999999995 110.874 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 48.3 t -132.58 116.39 27.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 74.519999999999996 111.142 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.53 27.51 61.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 71.129999999999995 112.498 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.88 158.4 21.39 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 71.519999999999996 112.492 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 6.4 m -122.43 177.35 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.865 0.364 . . . . 74.5 111.112 -179.944 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 17.7 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 73.219999999999999 111.116 179.896 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.833 0.349 . . . . 75.239999999999995 110.854 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.82 84.42 3.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 71.209999999999994 111.123 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.13 -27.92 23.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 64.019999999999996 110.895 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -155.56 114.01 3.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 74.430000000000007 110.913 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.89 106.57 8.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 75.299999999999997 110.849 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -116.21 131.28 56.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 75.120000000000005 110.869 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -132.86 101.11 5.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 75.109999999999999 110.905 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 9.7 m -145.44 170.86 15.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 72.109999999999999 110.876 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.78 -8.51 51.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 74.319999999999993 112.477 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -170.99 112.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 75.420000000000002 110.943 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -96.19 121.65 38.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 73.510000000000005 110.887 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -123.49 122.74 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 73.109999999999999 111.078 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -139.31 115.38 10.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 60.409999999999997 110.866 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -136.21 135.93 39.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 73.329999999999998 110.9 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -122.56 138.45 54.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 74.340000000000003 110.887 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -122.67 114.85 21.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 74.209999999999994 110.843 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -130.68 105.64 7.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 72.420000000000002 110.903 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -113.39 120.19 62.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 74.129999999999995 111.123 179.799 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' E' ' 19' ' ' PHE . 1.7 m-85 -110.85 134.84 52.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 73.439999999999998 110.836 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 22.4 m-85 57.01 35.3 26.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 74.0 110.884 -179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.6 127.17 36.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 74.540000000000006 111.117 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.99 72.56 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 73.230000000000004 110.849 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 p -140.78 136.02 34.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 74.329999999999998 111.092 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.28 -90.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 71.540000000000006 112.45 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 25.1 m -124.72 140.95 52.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.947 0.403 . . . . 73.519999999999996 110.798 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -101.32 99.71 10.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 74.340000000000003 110.857 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.59 170.8 8.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 75.030000000000001 110.909 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.71 -128.62 33.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 64.439999999999998 112.501 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.43 113.38 26.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 73.329999999999998 111.102 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -128.26 116.75 43.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 75.319999999999993 111.132 -179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 mt -126.16 120.61 57.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 62.130000000000003 111.128 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.47 -54.23 25.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.751 . . . . 64.129999999999995 112.516 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.575 ' N ' ' CD1' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -152.98 150.85 29.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 73.230000000000004 110.918 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 10.9 mtp -134.63 120.47 19.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 64.140000000000001 110.84 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 47.1 t -134.26 115.26 20.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 71.129999999999995 111.107 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.49 27.63 54.37 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 72.120000000000005 112.538 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.05 159.99 21.25 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 75.420000000000002 112.421 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 10.8 m -123.17 178.66 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.366 . . . . 70.430000000000007 111.14 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 18.2 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 74.450000000000003 111.14 179.921 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.824 0.345 . . . . 73.219999999999999 110.869 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.6 83.89 3.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 72.310000000000002 111.109 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -52.31 -31.69 34.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 71.319999999999993 110.884 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 1.5 m-85 -156.69 114.53 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 74.319999999999993 110.838 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.06 108.31 7.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 75.030000000000001 110.887 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -112.14 130.47 55.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 73.049999999999997 110.861 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -135.02 101.85 5.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 75.109999999999999 110.878 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 10.6 m -145.3 176.01 9.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 73.409999999999997 110.861 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.19 -9.9 50.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 74.230000000000004 112.49 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.23 114.74 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.878 0.37 . . . . 74.019999999999996 110.941 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -97.28 119.89 36.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 74.329999999999998 110.874 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 53.7 t -126.75 125.2 66.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 74.150000000000006 111.139 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -137.59 118.58 14.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 64.430000000000007 110.854 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -136.57 132.67 35.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 63.229999999999997 110.862 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -122.78 133.4 54.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 75.230000000000004 110.937 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 8.7 tptm -128.43 119.05 24.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 73.510000000000005 110.904 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.95 103.38 7.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 74.439999999999998 110.92 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -109.75 111.74 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 75.140000000000001 111.142 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -103.47 141.15 36.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 72.420000000000002 110.896 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 17.1 m-85 62.63 35.78 14.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 75.319999999999993 110.923 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.42 126.97 35.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 71.200000000000003 111.103 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.26 71.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 61.549999999999997 110.9 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 p -139.27 139.77 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 52.299999999999997 111.12 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.61 -92.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 72.340000000000003 112.444 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 26.8 m -124.05 142.63 51.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.911 0.386 . . . . 72.329999999999998 110.835 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -98.85 99.06 10.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 74.430000000000007 110.893 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.0 168.79 9.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 74.340000000000003 110.943 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.9 -127.29 23.79 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 73.099999999999994 112.51 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.59 114.19 27.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.719 0.295 . . . . 72.310000000000002 111.126 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -128.16 119.01 49.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 74.420000000000002 111.144 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 6.4 mt -134.32 118.65 27.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 75.019999999999996 111.134 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.61 -54.82 15.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 70.340000000000003 112.497 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.603 ' N ' ' CD1' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -159.24 151.93 21.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.791 0.329 . . . . 73.200000000000003 110.922 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 11.0 mtp -134.06 127.18 31.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 73.230000000000004 110.881 179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 45.8 t -129.99 119.18 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 72.310000000000002 111.135 179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.58 25.57 63.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 62.100000000000001 112.499 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.89 157.03 21.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 73.420000000000002 112.501 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 11.8 m -123.58 177.46 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 73.209999999999994 111.156 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 20.0 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 75.349999999999994 111.147 179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.816 0.341 . . . . 73.030000000000001 110.873 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.46 84.95 3.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 74.200000000000003 111.075 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -51.62 -30.6 22.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 74.349999999999994 110.904 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -157.46 113.94 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 73.319999999999993 110.846 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.62 107.44 7.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 73.109999999999999 110.866 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -112.17 129.95 56.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 63.329999999999998 110.862 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -134.71 101.62 5.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 74.030000000000001 110.866 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 10.4 m -144.68 175.84 9.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 74.549999999999997 110.878 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.79 -10.09 47.59 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.796 -0.716 . . . . 73.310000000000002 112.534 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -172.31 113.03 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.872 0.368 . . . . 74.430000000000007 110.924 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -94.87 120.08 34.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 61.439999999999998 110.901 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 56.6 t -125.54 123.73 65.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 75.219999999999999 111.142 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -138.29 117.85 13.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 73.420000000000002 110.835 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -136.8 133.26 35.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 75.310000000000002 110.835 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -120.31 133.89 55.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 73.209999999999994 110.892 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -124.61 118.61 26.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 71.340000000000003 110.889 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -127.71 103.74 7.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 64.150000000000006 110.89 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 1.7 t -110.99 113.4 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 74.150000000000006 111.124 179.809 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 4.4 m-85 -107.45 136.83 46.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 73.540000000000006 110.886 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 20.7 m-85 62.35 35.06 15.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 74.340000000000003 110.853 -179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.25 125.56 34.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 71.409999999999997 111.109 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.73 72.47 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 73.329999999999998 110.875 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 5.3 p -139.69 139.7 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 72.129999999999995 111.126 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.63 -91.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 60.539999999999999 112.462 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 27.3 m -123.32 142.77 50.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 71.519999999999996 110.836 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 -101.78 99.5 9.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 63.149999999999999 110.875 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.78 170.22 8.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 75.519999999999996 110.871 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.32 -128.07 26.75 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 73.219999999999999 112.503 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.22 113.71 27.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.747 0.308 . . . . 75.409999999999997 111.102 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.68 117.53 48.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 74.209999999999994 111.149 179.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 5.8 mt -131.47 120.12 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 62.020000000000003 111.134 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.01 -55.67 17.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.782 -0.723 . . . . 74.310000000000002 112.469 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.6 ' N ' ' CD1' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -155.54 151.09 27.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.885 0.374 . . . . 73.549999999999997 110.895 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 9.8 mtp -131.59 122.94 26.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 74.230000000000004 110.909 179.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 43.7 t -130.59 118.02 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 71.040000000000006 111.1 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.77 26.27 60.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 63.130000000000003 112.479 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.15 157.12 21.54 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 73.340000000000003 112.528 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 9.4 m -123.79 177.72 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 74.230000000000004 111.165 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 17.3 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 61.420000000000002 111.168 179.913 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.794 0.331 . . . . 75.430000000000007 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.23 84.83 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 65.329999999999998 111.067 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -51.06 -30.83 16.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 74.219999999999999 110.856 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -157.4 114.27 2.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 75.319999999999993 110.847 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.99 107.28 8.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 74.310000000000002 110.829 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -112.55 129.84 56.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 75.319999999999993 110.856 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -134.58 101.64 5.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 74.129999999999995 110.923 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 10.2 m -144.48 175.4 10.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 64.109999999999999 110.862 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.58 -10.17 48.05 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.815 -0.707 . . . . 73.549999999999997 112.497 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -172.37 112.88 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.834 0.35 . . . . 73.140000000000001 110.887 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.32 120.22 34.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 75.129999999999995 110.878 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 58.5 t -124.76 123.49 65.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 74.129999999999995 111.124 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -138.64 117.43 12.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 74.310000000000002 110.869 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -136.26 135.08 38.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 73.319999999999993 110.893 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -121.47 134.61 55.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 75.129999999999995 110.932 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 8.4 tptm -123.36 117.32 24.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 73.219999999999999 110.931 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -128.93 103.25 6.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 74.140000000000001 110.956 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 1.4 t -112.34 114.48 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 75.299999999999997 111.155 179.845 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -107.82 136.23 47.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 74.140000000000001 110.877 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 21.5 m-85 60.91 35.33 19.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 72.140000000000001 110.903 -179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -87.8 125.7 34.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 72.439999999999998 111.105 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.82 72.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 71.129999999999995 110.845 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 p -139.98 138.83 37.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 73.340000000000003 111.161 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.06 -91.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 73.239999999999995 112.482 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 26.7 m -123.26 142.36 51.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 72.219999999999999 110.835 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . 0.418 ' N ' HD21 ' H' ' 27' ' ' ASN . 1.3 m-80 -101.99 99.61 9.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 73.140000000000001 110.93 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.44 171.0 7.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 74.319999999999993 110.875 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.67 -128.8 29.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.73 . . . . 72.120000000000005 112.435 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.42 113.17 26.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 73.219999999999999 111.142 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.4 117.15 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 73.120000000000005 111.112 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 mt -130.42 119.64 46.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 74.439999999999998 111.168 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.89 -56.78 10.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.741 . . . . 75.099999999999994 112.506 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . 0.608 ' CD1' ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -153.89 149.25 27.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 73.319999999999993 110.934 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 10.7 mtp -129.87 122.26 28.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 73.239999999999995 110.86 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 45.6 t -131.61 117.84 36.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 75.109999999999999 111.163 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.27 26.88 57.08 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 72.439999999999998 112.445 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.28 156.95 21.09 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.735 -0.745 . . . . 75.329999999999998 112.505 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 6.3 m -123.55 177.12 4.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 74.140000000000001 111.119 -179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 17.0 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 74.129999999999995 111.088 179.952 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.818 0.342 . . . . 64.329999999999998 110.843 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.33 84.74 3.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 73.430000000000007 111.119 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -51.43 -30.49 19.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 74.409999999999997 110.866 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -157.28 114.13 3.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 75.040000000000006 110.892 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.02 107.68 8.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.230000000000004 110.883 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -113.53 130.17 56.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 72.120000000000005 110.853 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -134.16 101.81 5.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 72.109999999999999 110.883 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 10.2 m -145.05 174.68 10.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 73.140000000000001 110.857 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.48 -9.47 47.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.748 . . . . 63.109999999999999 112.532 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -172.22 113.12 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.857 0.36 . . . . 74.420000000000002 110.91 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -94.71 120.89 35.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 73.150000000000006 110.911 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 61.8 t -124.44 122.24 63.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 75.239999999999995 111.141 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -138.19 117.39 12.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.138 -0.483 . . . . 75.439999999999998 110.831 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -136.93 135.29 37.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 72.010000000000005 110.855 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -122.6 135.03 54.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 54.310000000000002 110.912 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 8.6 tptm -121.71 116.58 24.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 75.219999999999999 110.874 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -130.44 103.13 6.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 63.219999999999999 110.947 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -113.03 117.41 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 73.140000000000001 111.144 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' I' ' 19' ' ' PHE . 1.9 m-85 -109.08 136.38 48.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 75.310000000000002 110.915 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 59.67 34.23 22.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 74.129999999999995 110.911 -179.872 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.38 126.36 35.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 61.399999999999999 111.069 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.31 72.44 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 74.549999999999997 110.883 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 p -140.49 137.72 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 75.319999999999993 111.154 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.28 -91.41 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 75.109999999999999 112.519 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 25.9 m -123.19 141.74 51.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.359 . . . . 74.040000000000006 110.86 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . 0.403 ' N ' HD21 ' I' ' 27' ' ' ASN . 1.4 m-80 -101.61 99.49 9.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 63.509999999999998 110.884 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.38 171.4 7.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 55.109999999999999 110.918 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.96 -129.06 30.93 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 62.43 112.472 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.7 113.27 26.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.76 0.314 . . . . 74.319999999999993 111.075 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -126.73 117.22 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 73.340000000000003 111.145 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 mt -129.75 119.26 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 74.099999999999994 111.114 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.85 -58.14 8.88 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 74.319999999999993 112.454 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . 0.619 ' N ' ' CD1' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -152.29 147.61 26.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.793 0.33 . . . . 73.409999999999997 110.949 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 11.1 mtp -130.55 121.88 26.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 74.219999999999999 110.893 179.844 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 47.1 t -132.66 117.38 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 74.310000000000002 111.148 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.98 26.72 58.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 45.310000000000002 112.499 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.86 157.98 21.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.791 -0.719 . . . . 73.109999999999999 112.492 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 5.2 m -123.52 178.11 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.36 . . . . 74.319999999999993 111.143 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 16.9 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 74.200000000000003 111.126 179.889 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.826 0.346 . . . . 74.329999999999998 110.841 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.12 83.49 3.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 74.340000000000003 111.072 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -51.74 -30.06 21.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 73.129999999999995 110.916 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -157.55 114.61 2.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 75.140000000000001 110.875 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.98 107.34 8.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 70.409999999999997 110.883 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -115.73 130.48 56.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 73.140000000000001 110.867 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -132.78 101.55 5.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 74.200000000000003 110.857 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 10.2 m -145.66 170.6 16.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 70.5 110.824 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.01 -8.86 53.45 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.695 -0.764 . . . . 75.200000000000003 112.486 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -171.69 112.15 0.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.814 0.34 . . . . 73.129999999999995 110.912 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.32 121.68 37.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 75.129999999999995 110.915 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 57.2 t -123.61 122.6 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.239999999999995 111.134 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -139.07 116.21 11.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 71.540000000000006 110.871 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -136.84 135.66 38.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 74.120000000000005 110.873 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -122.63 138.34 54.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.540000000000006 110.906 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 8.2 tptm -122.53 114.87 21.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 73.200000000000003 110.892 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -130.67 105.48 7.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 71.5 110.892 179.9 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -113.36 120.66 63.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 73.140000000000001 111.132 179.801 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -111.21 134.27 52.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 62.32 110.898 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 21.6 m-85 57.57 34.99 25.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 74.209999999999994 110.842 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.89 128.33 36.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 70.450000000000003 111.082 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.49 73.14 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 74.439999999999998 110.825 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 p -141.63 136.03 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 75.439999999999998 111.182 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.4 -89.41 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 73.150000000000006 112.48 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 26.2 m -125.26 139.63 53.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 73.420000000000002 110.857 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -100.61 99.52 10.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 62.32 110.891 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.15 171.37 7.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 74.519999999999996 110.871 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.78 -130.46 35.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 72.319999999999993 112.421 179.897 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.67 113.07 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 63.240000000000002 111.107 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -127.74 118.26 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 74.340000000000003 111.125 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 mt -126.16 120.45 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 74.430000000000007 111.144 179.853 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.23 -54.72 22.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 73.519999999999996 112.481 179.937 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . 0.564 ' N ' ' CD1' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -152.9 150.57 29.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.348 . . . . 72.200000000000003 110.892 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 10.8 mtp -134.25 120.18 19.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 75.140000000000001 110.895 179.835 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 46.5 t -134.46 115.35 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 74.340000000000003 111.132 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.2 27.33 57.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 75.019999999999996 112.467 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.09 159.82 21.26 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 74.409999999999997 112.47 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 10.3 m -123.86 177.78 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.37 . . . . 71.519999999999996 111.13 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 18.2 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 75.299999999999997 111.117 179.899 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.83 0.347 . . . . 52.310000000000002 110.84 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.0 91.62 3.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 74.140000000000001 111.118 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.91 -38.73 83.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 65.420000000000002 110.865 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 4.7 m-85 -146.98 112.32 5.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 72.439999999999998 110.907 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.02 108.58 6.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 74.349999999999994 110.894 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -110.6 130.25 55.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 63.340000000000003 110.808 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -135.03 101.5 4.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 73.200000000000003 110.861 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' B' ' 8' ' ' SER . 54.9 p -148.8 177.38 9.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 75.310000000000002 110.883 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.97 -10.58 45.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 61.43 112.521 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.38 115.43 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 73.400000000000006 110.919 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -107.19 120.66 42.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 73.519999999999996 110.864 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 36.8 t -132.88 113.99 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 72.519999999999996 111.107 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 67.4 m170 -114.0 126.35 55.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 70.239999999999995 110.853 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -136.53 119.22 16.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 73.530000000000001 110.881 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.43 133.67 45.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 74.219999999999999 110.941 -179.916 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.84 116.59 18.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 75.040000000000006 110.885 179.978 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -112.86 112.59 24.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 74.109999999999999 110.92 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 27.6 m -115.88 120.53 65.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 74.400000000000006 111.107 179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 m-30 -102.99 114.98 29.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 72.209999999999994 110.87 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 50.44 74.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 64.420000000000002 110.888 -179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.75 130.86 39.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 71.120000000000005 111.064 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 63.09 88.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.209999999999994 110.854 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.7 p -126.13 137.28 58.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 74.329999999999998 111.187 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.07 -45.68 96.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.758 . . . . 73.540000000000006 112.497 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 m -166.97 133.71 2.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.364 . . . . 71.0 110.842 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.0 m-20 -102.08 101.21 11.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 70.549999999999997 110.909 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.81 159.55 20.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 65.310000000000002 110.895 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.95 -130.64 42.41 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 72.310000000000002 112.505 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.76 114.4 28.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.761 0.315 . . . . 74.030000000000001 111.097 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -121.5 111.61 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 75.129999999999995 111.114 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -128.5 111.26 23.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 74.310000000000002 111.106 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -45.21 -52.39 8.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.753 -0.737 . . . . 71.209999999999994 112.446 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.59 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -158.27 155.4 28.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.775 0.322 . . . . 74.400000000000006 110.928 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -133.62 126.06 30.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 72.200000000000003 110.931 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 3.2 p -134.49 111.64 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 70.0 111.138 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.63 18.49 70.13 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.724 . . . . 71.450000000000003 112.469 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.46 -165.19 27.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 54.100000000000001 112.522 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 6.8 p -168.57 142.84 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.881 0.372 . . . . 64.439999999999998 111.154 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 31.8 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 65.549999999999997 111.133 179.94 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.793 0.33 . . . . 73.530000000000001 110.921 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.81 91.62 3.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 74.450000000000003 111.09 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -59.27 -37.21 77.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 64.540000000000006 110.887 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -148.34 111.89 5.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 74.310000000000002 110.882 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.73 108.32 7.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 73.530000000000001 110.853 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -110.97 129.39 55.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 73.129999999999995 110.875 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -134.38 101.19 4.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 70.400000000000006 110.853 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.429 ' O ' ' HA ' ' C' ' 8' ' ' SER . 55.0 p -148.9 176.82 10.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 71.230000000000004 110.85 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.32 -10.98 43.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.684 -0.77 . . . . 74.439999999999998 112.498 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.44 113.88 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 73.420000000000002 110.897 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -104.74 120.33 41.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 71.310000000000002 110.88 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 36.1 t -131.37 113.87 24.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 74.409999999999997 111.136 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 67.5 m170 -114.53 126.36 54.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 74.510000000000005 110.848 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -136.61 120.03 16.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 73.140000000000001 110.8 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.06 133.13 45.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 71.310000000000002 110.923 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.85 118.73 25.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 74.099999999999994 110.917 179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -117.58 111.73 19.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 65.510000000000005 110.944 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 29.4 m -117.43 120.98 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 73.450000000000003 111.131 179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 -101.86 116.65 33.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 73.230000000000004 110.855 -179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 13.9 m-30 50.64 73.22 0.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 75.140000000000001 110.929 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.49 131.32 37.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 70.239999999999995 111.092 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.61 88.18 0.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 71.219999999999999 110.888 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 12.4 p -127.25 135.6 63.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 74.340000000000003 111.159 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.87 -44.5 97.35 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 74.209999999999994 112.46 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 9.4 m -166.59 133.75 2.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.908 0.385 . . . . 74.409999999999997 110.835 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -102.47 101.1 11.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 72.230000000000004 110.871 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.1 160.05 20.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 74.439999999999998 110.876 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.88 -131.12 39.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 73.140000000000001 112.468 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.79 114.19 28.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.74 0.305 . . . . 64.010000000000005 111.123 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -122.31 111.37 30.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 75.25 111.154 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 mt -127.03 112.97 30.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 74.129999999999995 111.146 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.2 -54.26 6.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.763 . . . . 74.439999999999998 112.501 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.582 ' N ' ' CD1' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -155.09 153.65 31.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.344 . . . . 71.150000000000006 110.873 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.8 mtp -128.13 122.44 31.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 72.140000000000001 110.861 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 3.4 p -137.0 111.61 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 75.019999999999996 111.124 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.64 18.67 66.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 52.520000000000003 112.488 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.09 -165.55 27.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.7 -0.762 . . . . 75.340000000000003 112.454 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 6.9 p -168.15 141.53 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.917 0.389 . . . . 64.200000000000003 111.104 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 24.3 m . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 72.319999999999993 111.139 179.936 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.837 0.351 . . . . 62.229999999999997 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.29 92.02 3.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 73.420000000000002 111.116 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -59.93 -36.21 76.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 74.049999999999997 110.927 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -148.29 111.87 5.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 74.310000000000002 110.888 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.26 107.87 8.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 75.430000000000007 110.867 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -112.27 128.75 56.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 72.420000000000002 110.864 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -133.71 101.58 5.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 74.230000000000004 110.847 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 8' ' ' SER . . . . . 0.431 ' O ' ' HA ' ' D' ' 8' ' ' SER . 54.8 p -148.78 176.38 10.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 75.129999999999995 110.838 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.73 -10.83 42.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 73.219999999999999 112.485 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.47 113.6 0.28 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.817 0.341 . . . . 73.230000000000004 110.941 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -105.02 120.7 42.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 71.420000000000002 110.851 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 38.3 t -131.99 114.16 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 74.439999999999998 111.127 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -114.14 126.78 55.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 74.239999999999995 110.872 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -136.29 120.35 17.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 75.219999999999999 110.863 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.76 132.87 44.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 72.530000000000001 110.939 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.92 119.31 28.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 71.140000000000001 110.877 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -119.41 111.01 17.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 73.420000000000002 110.879 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 26.8 m -117.87 121.5 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 74.120000000000005 111.162 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 -101.77 115.04 29.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 75.140000000000001 110.91 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 13.0 m-30 51.77 73.11 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 72.230000000000004 110.884 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.64 130.81 38.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 44.509999999999998 111.095 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.49 87.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 75.200000000000003 110.875 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 12.9 p -126.94 135.78 62.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 75.120000000000005 111.115 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.87 -44.89 96.76 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.702 -0.761 . . . . 73.129999999999995 112.468 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 9.6 m -166.5 133.7 2.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 73.439999999999998 110.852 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -102.48 101.02 11.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 74.400000000000006 110.847 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.93 160.22 19.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 74.450000000000003 110.922 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.42 -131.26 38.19 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 71.349999999999994 112.471 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.86 113.61 26.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 72.409999999999997 111.061 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -122.69 111.46 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 72.409999999999997 111.086 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mt -126.15 113.3 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 72.150000000000006 111.157 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -43.61 -55.0 5.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.8 -0.714 . . . . 74.040000000000006 112.482 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.575 ' CD1' ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -153.54 152.58 31.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 72.530000000000001 110.922 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -127.96 121.2 29.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 73.230000000000004 110.849 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 3.3 p -138.08 112.4 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 75.310000000000002 111.168 179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.89 19.29 65.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 73.0 112.498 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.84 -165.17 28.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 60.119999999999997 112.506 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 6.5 p -167.88 141.11 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.914 0.388 . . . . 73.340000000000003 111.111 -179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 25.0 m . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 75.230000000000004 111.137 179.925 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.787 0.327 . . . . 75.209999999999994 110.836 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.35 91.99 3.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 70.5 111.085 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -59.64 -35.81 75.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 74.420000000000002 110.889 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 5.8 m-85 -148.31 111.63 4.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 75.540000000000006 110.9 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.54 107.58 8.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 75.209999999999994 110.87 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -113.58 128.2 56.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 75.439999999999998 110.896 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -132.73 101.59 5.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 71.299999999999997 110.882 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 8' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' C' ' 8' ' ' SER . 55.0 p -148.74 175.41 11.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 65.439999999999998 110.905 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.91 -10.53 42.71 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.807 -0.711 . . . . 72.439999999999998 112.525 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.28 113.88 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.354 . . . . 65.430000000000007 110.923 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -106.48 121.17 43.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 74.310000000000002 110.922 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 38.8 t -132.6 114.41 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 60.43 111.137 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -114.1 126.54 55.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 75.200000000000003 110.889 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -135.3 121.4 20.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 74.310000000000002 110.895 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.55 133.22 43.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 73.150000000000006 110.918 -179.923 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.6 118.95 28.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 74.420000000000002 110.912 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -120.68 110.56 16.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 74.340000000000003 110.924 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 27.4 m -117.67 122.57 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 73.310000000000002 111.148 179.82 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 0.404 ' CD2' HD11 ' D' ' 34' ' ' LEU . 3.1 m-30 -102.16 112.94 25.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 74.340000000000003 110.903 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 52.67 72.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 65.219999999999999 110.866 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.54 130.4 38.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 55.439999999999998 111.079 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.49 87.31 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 73.450000000000003 110.819 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 12.5 p -126.83 135.73 62.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 75.049999999999997 111.151 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.47 -45.03 96.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 70.239999999999995 112.467 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 9.5 m -166.4 133.3 2.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.865 0.364 . . . . 72.540000000000006 110.832 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -102.41 100.5 10.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 73.319999999999993 110.902 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.96 160.53 19.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 74.129999999999995 110.92 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.85 -131.34 36.82 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.736 -0.745 . . . . 74.310000000000002 112.513 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.84 113.54 26.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.72 0.295 . . . . 74.129999999999995 111.121 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -122.99 111.44 29.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 74.340000000000003 111.128 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mt -125.44 114.01 37.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 73.010000000000005 111.095 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.33 -55.98 5.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 72.129999999999995 112.475 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.556 ' N ' ' CD1' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -151.42 151.97 32.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.766 0.317 . . . . 74.409999999999997 110.936 -179.887 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 3.0 mtp -128.52 119.93 25.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 74.329999999999998 110.888 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 3.2 p -138.36 111.6 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 74.040000000000006 111.112 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.14 19.78 66.4 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 71.030000000000001 112.499 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.45 -165.18 28.46 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.692 -0.766 . . . . 64.430000000000007 112.431 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 6.3 p -168.15 141.88 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.868 0.366 . . . . 55.43 111.115 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 25.8 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 75.140000000000001 111.123 179.912 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.875 0.369 . . . . 74.409999999999997 110.815 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.01 91.54 3.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 63.509999999999998 111.081 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -58.53 -35.36 72.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 54.409999999999997 110.882 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -148.89 113.37 5.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 73.450000000000003 110.901 -179.92 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.75 106.49 8.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 63.329999999999998 110.851 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -114.31 128.34 56.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 70.200000000000003 110.905 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -131.34 100.67 5.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 64.140000000000001 110.917 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 54.8 p -149.54 170.86 17.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 60.219999999999999 110.863 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.94 -9.21 49.59 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.727 -0.749 . . . . 73.329999999999998 112.526 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -171.02 111.97 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 74.439999999999998 110.91 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -109.29 120.5 42.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 65.409999999999997 110.896 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 34.1 t -132.16 116.72 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 73.319999999999993 111.102 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 66.4 m170 -114.54 126.47 54.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 73.120000000000005 110.828 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -133.02 123.13 25.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 75.129999999999995 110.818 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.87 134.22 42.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 64.349999999999994 110.89 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.96 117.27 24.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 74.25 110.911 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -120.82 107.38 12.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 70.040000000000006 110.89 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 30.9 m -114.23 124.36 70.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 74.030000000000001 111.128 179.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -102.68 112.92 25.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 75.400000000000006 110.898 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 14.6 m-30 51.89 71.93 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 74.230000000000004 110.87 -179.948 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.31 131.07 38.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 75.099999999999994 111.099 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.1 87.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 73.230000000000004 110.864 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 14.1 p -127.42 135.15 64.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 65.319999999999993 111.137 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.75 -45.09 96.47 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 72.430000000000007 112.479 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 9.4 m -166.38 132.52 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 73.439999999999998 110.873 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -102.1 100.02 10.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 71.140000000000001 110.883 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.94 161.26 18.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 65.109999999999999 110.88 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.5 -131.53 35.01 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 73.230000000000004 112.48 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.57 113.65 26.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.312 . . . . 75.010000000000005 111.122 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -122.05 110.36 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 65.219999999999999 111.125 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -121.72 110.79 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 75.420000000000002 111.156 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.09 -52.15 7.07 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 72.329999999999998 112.473 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.514 ' N ' ' CD1' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -152.23 152.85 32.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.813 0.339 . . . . 75.140000000000001 110.93 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.1 mtp -130.33 119.38 22.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 74.219999999999999 110.921 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 3.5 p -141.98 112.09 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 70.310000000000002 111.132 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.23 19.49 61.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.784 -0.722 . . . . 75.400000000000006 112.468 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.6 -165.64 29.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.686 -0.768 . . . . 63.32 112.498 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 6.8 p -167.82 141.85 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 73.329999999999998 111.161 -179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 28.0 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 72.319999999999993 111.123 179.933 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.833 0.349 . . . . 75.510000000000005 110.875 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.59 91.05 3.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 75.209999999999994 111.082 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.77 -39.84 78.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 62.119999999999997 110.881 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 5.3 m-85 -147.31 113.42 5.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 75.209999999999994 110.905 -179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.14 108.72 6.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 74.319999999999993 110.877 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -110.13 129.72 55.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 73.400000000000006 110.847 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -134.76 101.82 5.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 75.329999999999998 110.817 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 54.9 p -148.72 177.08 9.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 75.209999999999994 110.838 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.34 -10.18 45.53 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 63.409999999999997 112.465 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.36 115.46 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.885 0.374 . . . . 73.209999999999994 110.926 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -106.54 120.25 41.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 72.109999999999999 110.91 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 38.8 t -132.56 113.95 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 74.540000000000006 111.117 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 66.9 m170 -114.45 127.04 55.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 73.109999999999999 110.9 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -137.15 119.32 15.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 74.109999999999999 110.839 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.6 133.18 44.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 75.329999999999998 110.894 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.24 116.62 18.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 74.120000000000005 110.87 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -113.16 112.78 24.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 74.310000000000002 110.903 179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 27.5 m -115.95 120.66 65.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 64.430000000000007 111.159 179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 9.6 m-30 -102.79 115.21 30.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 71.420000000000002 110.886 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 14.4 m-30 50.46 74.08 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 73.329999999999998 110.866 -179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.01 130.71 40.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 72.430000000000007 111.106 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.66 88.12 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 65.040000000000006 110.872 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 9.4 p -125.98 137.0 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 71.549999999999997 111.144 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.65 -45.5 96.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 63.439999999999998 112.5 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 10.1 m -166.34 133.0 2.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.845 0.355 . . . . 73.510000000000005 110.893 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -100.33 99.82 10.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 73.040000000000006 110.893 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.44 160.09 19.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 71.400000000000006 110.917 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.38 -132.58 44.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.701 -0.761 . . . . 61.25 112.538 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.61 114.18 27.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.308 . . . . 74.319999999999993 111.099 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -120.53 113.23 39.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 73.340000000000003 111.14 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 mt -130.3 110.81 19.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 63.439999999999998 111.118 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.78 -53.1 7.42 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 53.140000000000001 112.482 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.59 ' N ' ' CD1' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -158.52 154.84 27.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 74.329999999999998 110.891 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -133.39 125.52 29.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 74.120000000000005 110.911 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 3.3 p -134.52 112.24 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 73.129999999999995 111.149 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.39 17.77 70.83 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.667 -0.778 . . . . 74.549999999999997 112.485 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.91 -165.11 26.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 70.099999999999994 112.486 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 7.7 p -168.96 144.31 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.382 . . . . 72.209999999999994 111.1 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 28.6 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 70.109999999999999 111.138 179.905 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.841 0.353 . . . . 72.510000000000005 110.865 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.33 90.67 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 73.329999999999998 111.084 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.89 -39.89 78.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 64.340000000000003 110.9 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -147.87 113.02 5.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 70.140000000000001 110.868 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.47 108.65 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 75.310000000000002 110.838 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -110.78 128.97 55.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 73.340000000000003 110.898 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -134.1 101.62 5.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 74.239999999999995 110.843 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 8' ' ' SER . . . . . 0.42 ' O ' ' HA ' ' H' ' 8' ' ' SER . 55.6 p -148.83 176.32 10.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 74.150000000000006 110.823 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.31 -10.72 44.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 64.209999999999994 112.459 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.4 113.74 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.811 0.339 . . . . 70.450000000000003 110.889 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -103.98 119.98 40.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 73.150000000000006 110.882 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 37.6 t -131.04 113.71 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 61.119999999999997 111.139 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -114.56 127.14 55.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 74.450000000000003 110.911 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -137.5 119.72 15.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 75.120000000000005 110.855 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.99 132.93 45.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 74.5 110.893 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.4 118.03 23.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 72.129999999999995 110.932 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 3.3 mm? -117.24 111.92 20.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 71.439999999999998 110.946 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 30.3 m -117.54 121.17 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 73.219999999999999 111.13 179.842 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 5.0 m-30 -101.94 116.51 32.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 74.109999999999999 110.874 -179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 13.8 m-30 51.15 73.28 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 73.230000000000004 110.899 -179.897 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.68 131.2 37.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 71.439999999999998 111.118 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.78 88.56 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 74.530000000000001 110.871 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 12.2 p -127.35 135.67 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 75.109999999999999 111.143 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.18 -44.32 97.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.756 . . . . 73.010000000000005 112.524 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 11.4 m -166.38 133.04 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 64.400000000000006 110.852 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -101.08 100.17 10.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 71.409999999999997 110.864 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.54 160.05 19.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 72.340000000000003 110.895 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.47 -132.91 41.73 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 71.450000000000003 112.503 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.6 114.21 27.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 71.219999999999999 111.085 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.86 112.07 33.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 75.329999999999998 111.174 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 mt -127.49 112.8 29.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 73.319999999999993 111.111 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.17 -54.84 6.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 75.340000000000003 112.492 179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.582 ' N ' ' CD1' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -154.94 153.51 31.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 72.420000000000002 110.89 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -128.24 122.41 31.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 73.209999999999994 110.853 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 3.5 p -137.14 112.62 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 73.349999999999994 111.122 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.23 18.35 64.95 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 62.420000000000002 112.459 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.23 -165.46 27.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.741 . . . . 74.430000000000007 112.47 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 6.9 p -168.77 142.83 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.897 0.38 . . . . 75.219999999999999 111.09 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 25.5 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 74.0 111.106 179.932 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.756 0.313 . . . . 72.319999999999993 110.869 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.89 91.23 3.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 73.349999999999994 111.152 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.9 -38.83 76.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 73.239999999999995 110.921 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -147.91 113.12 5.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 62.520000000000003 110.856 -179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.45 108.19 8.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 73.049999999999997 110.859 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -111.73 128.35 56.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 74.430000000000007 110.871 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -133.35 101.63 5.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 72.349999999999994 110.848 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 8' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' G' ' 8' ' ' SER . 54.7 p -148.68 175.97 10.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 70.239999999999995 110.856 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.67 -10.61 43.26 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.775 -0.726 . . . . 74.219999999999999 112.507 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.36 113.59 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 73.239999999999995 110.948 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -104.29 120.16 40.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 71.299999999999997 110.925 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 37.1 t -131.33 114.06 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 70.510000000000005 111.109 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -114.49 127.03 55.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 75.010000000000005 110.846 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -136.95 120.21 16.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 72.400000000000006 110.839 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.59 132.89 44.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 73.439999999999998 110.939 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.53 118.26 25.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 72.439999999999998 110.903 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -118.74 111.33 18.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 71.230000000000004 110.892 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 30.9 m -118.02 121.68 67.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 75.310000000000002 111.17 179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 -101.83 114.69 28.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 73.439999999999998 110.888 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 13.2 m-30 52.43 72.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 73.010000000000005 110.897 -179.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.49 131.06 37.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 74.450000000000003 111.086 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.29 88.09 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 62.329999999999998 110.855 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 12.6 p -126.9 135.26 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 70.040000000000006 111.156 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.86 -44.47 97.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 75.340000000000003 112.462 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 10.4 m -166.38 132.81 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 61.130000000000003 110.888 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -100.82 99.97 10.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 74.340000000000003 110.93 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.5 160.23 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 73.409999999999997 110.832 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.07 -133.48 39.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 73.129999999999995 112.483 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.53 113.78 26.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.765 0.317 . . . . 71.319999999999993 111.081 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -121.96 112.72 36.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 72.319999999999993 111.116 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mt -126.91 113.08 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 75.409999999999997 111.162 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -43.67 -55.75 5.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 74.420000000000002 112.496 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . 0.578 ' CD1' ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -153.22 152.37 31.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.806 0.336 . . . . 74.140000000000001 110.916 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -127.39 120.97 29.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 72.239999999999995 110.901 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 3.4 p -137.76 112.19 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 72.340000000000003 111.103 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.93 18.83 64.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.792 -0.718 . . . . 43.219999999999999 112.474 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.51 -165.65 28.46 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.727 -0.749 . . . . 72.239999999999995 112.48 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 6.4 p -168.54 142.33 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.348 . . . . 74.239999999999995 111.142 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 26.3 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 75.299999999999997 111.127 179.958 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.838 0.351 . . . . 74.040000000000006 110.892 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.83 91.29 3.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 54.210000000000001 111.106 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.68 -38.56 75.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 74.420000000000002 110.866 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -148.03 113.02 5.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 74.430000000000007 110.858 -179.892 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.05 108.01 9.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 73.010000000000005 110.861 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -112.95 127.78 56.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 63.329999999999998 110.848 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -132.49 101.69 5.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 73.030000000000001 110.9 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 8' ' ' SER . . . . . 0.42 ' HA ' ' O ' ' H' ' 8' ' ' SER . 54.8 p -148.91 175.03 11.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.030000000000001 110.833 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.85 -10.3 43.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 53.420000000000002 112.506 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.34 113.78 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 75.409999999999997 110.899 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -105.43 120.88 42.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 70.239999999999995 110.924 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 38.8 t -131.85 114.06 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 70.109999999999999 111.132 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 67.3 m170 -114.24 126.73 55.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 75.400000000000006 110.848 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -136.16 120.97 18.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 75.150000000000006 110.869 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.35 133.07 43.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 72.519999999999996 110.862 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.03 118.46 27.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 75.430000000000007 110.905 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -120.35 110.74 16.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 74.099999999999994 110.896 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . 0.402 ' HA ' ' CG2' ' J' ' 18' ' ' VAL . 27.2 m -117.69 122.76 70.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 73.319999999999993 111.133 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . 0.412 ' CD2' HD11 ' I' ' 34' ' ' LEU . 3.1 m-30 -102.15 113.05 25.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 72.120000000000005 110.893 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 13.7 m-30 52.9 72.11 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 75.319999999999993 110.846 -179.926 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.82 130.8 38.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 71.200000000000003 111.07 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.32 87.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 55.219999999999999 110.885 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 11.9 p -127.11 135.35 63.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 72.209999999999994 111.083 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.17 -44.8 97.22 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.743 -0.741 . . . . 70.209999999999994 112.466 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 9.5 m -166.52 132.78 2.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 74.420000000000002 110.876 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -100.83 99.84 10.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 75.409999999999997 110.897 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.57 160.36 19.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 74.239999999999995 110.94 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.77 -133.24 37.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 73.129999999999995 112.476 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.57 113.7 26.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 54.32 111.111 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -122.08 112.53 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 75.129999999999995 111.165 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mt -126.2 113.33 33.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 75.030000000000001 111.134 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.13 -56.79 5.15 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.727 -0.749 . . . . 50.43 112.463 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . 0.564 ' N ' ' CD1' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -151.26 151.56 32.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 74.140000000000001 110.908 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 3.0 mtp -127.87 120.17 27.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 75.120000000000005 110.861 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 3.2 p -138.58 111.52 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 71.420000000000002 111.135 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.46 19.33 66.59 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.716 -0.754 . . . . 64.010000000000005 112.451 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.26 -165.36 28.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 75.019999999999996 112.476 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 6.2 p -168.65 142.51 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.37 . . . . 73.450000000000003 111.145 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 70.329999999999998 111.159 179.901 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.867 0.365 . . . . 74.299999999999997 110.838 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.23 91.2 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 72.140000000000001 111.116 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -57.7 -37.88 74.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 73.239999999999995 110.93 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -148.35 114.07 5.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 75.450000000000003 110.874 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.16 107.24 8.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 64.349999999999994 110.837 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -113.69 127.27 55.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 75.420000000000002 110.892 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -130.64 101.33 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 74.099999999999994 110.853 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 55.1 p -150.16 170.22 19.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 62.210000000000001 110.887 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.87 -8.98 50.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 65.340000000000003 112.492 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -170.94 111.56 0.37 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.875 0.369 . . . . 73.150000000000006 110.919 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -107.76 120.37 42.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.51 . . . . 75.200000000000003 110.88 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 33.5 t -131.57 116.34 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 74.340000000000003 111.175 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 67.3 m170 -114.52 126.61 55.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 74.430000000000007 110.863 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -133.6 122.32 23.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 72.209999999999994 110.848 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.06 133.62 43.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 75.310000000000002 110.9 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.47 116.12 21.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 63.219999999999999 110.874 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -120.37 107.87 13.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 74.019999999999996 110.934 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . 0.402 ' CG2' ' HA ' ' I' ' 18' ' ' VAL . 30.8 m -114.54 124.19 70.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 73.120000000000005 111.125 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' J' ' 19' ' ' PHE . 2.5 m-30 -102.57 112.67 25.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 75.5 110.866 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 14.7 m-30 52.26 71.87 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 71.329999999999998 110.901 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.74 131.5 39.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 73.120000000000005 111.123 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.78 87.17 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 60.200000000000003 110.901 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 12.9 p -127.83 135.2 63.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 72.129999999999995 111.139 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.11 -45.05 96.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 64.439999999999998 112.483 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 8.6 m -166.88 132.17 2.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.92 0.39 . . . . 73.099999999999994 110.816 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 -100.61 99.81 10.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 64.340000000000003 110.891 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.49 161.24 18.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 75.099999999999994 110.894 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.17 -133.61 36.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 71.439999999999998 112.5 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -100.32 113.72 26.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.744 0.306 . . . . 72.120000000000005 111.06 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -121.75 112.42 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 74.420000000000002 111.168 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 mt -122.94 111.1 28.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 72.150000000000006 111.13 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -43.83 -53.25 6.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 71.319999999999993 112.495 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . 0.508 ' N ' ' CD1' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -151.78 152.97 33.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.821 0.343 . . . . 75.129999999999995 110.89 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 3.1 mtp -129.76 119.52 23.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 64.310000000000002 110.906 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 3.4 p -142.37 111.67 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 75.310000000000002 111.128 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.77 19.55 63.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 72.219999999999999 112.507 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.88 -165.55 29.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.728 -0.749 . . . . 74.340000000000003 112.467 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 6.5 p -168.29 141.74 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 73.150000000000006 111.127 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 71.450000000000003 111.151 179.931 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.84 0.353 . . . . 74.239999999999995 110.857 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.13 78.44 1.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 62.520000000000003 111.112 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -53.78 -34.14 58.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 70.450000000000003 110.878 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -150.82 112.49 4.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 55.130000000000003 110.898 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -137.81 108.03 6.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 73.230000000000004 110.861 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.27 130.01 55.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 70.310000000000002 110.897 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -135.75 100.69 4.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 63.450000000000003 110.861 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -156.03 127.86 7.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 75.430000000000007 110.776 -179.724 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.07 -26.64 12.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 73.120000000000005 112.481 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -146.03 109.24 4.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.846 0.355 . . . . 75.109999999999999 110.968 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -109.69 119.51 39.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 72.450000000000003 110.897 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 p -139.33 125.53 23.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 71.129999999999995 111.136 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -125.15 112.86 16.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 63.009999999999998 110.868 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -116.35 126.91 54.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 75.010000000000005 110.829 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -124.75 132.79 53.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 75.129999999999995 110.947 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -134.45 117.68 16.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 72.129999999999995 110.895 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -121.7 114.97 21.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 72.349999999999994 110.897 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.5 t -109.49 112.6 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 74.439999999999998 111.135 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.401 ' CG ' HD11 ' A' ' 34' ' ' LEU . 13.0 m-30 -102.69 106.16 16.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 74.420000000000002 110.863 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 59.04 91.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 71.430000000000007 110.898 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.48 143.43 46.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 61.310000000000002 111.122 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.7 t0 53.06 71.83 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 70.400000000000006 110.867 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 8.0 p -112.61 129.3 68.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 73.239999999999995 111.12 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.02 -36.39 42.98 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.8 -0.714 . . . . 62.43 112.498 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER 179.86 140.14 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.927 0.394 . . . . 73.329999999999998 110.809 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -98.59 103.86 15.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 72.140000000000001 110.865 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.6 155.62 25.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 74.310000000000002 110.916 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.83 -136.81 50.45 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.774 -0.727 . . . . 53.240000000000002 112.449 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -96.84 111.57 23.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.734 0.302 . . . . 72.530000000000001 111.07 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.408 HG13 HG22 ' B' ' 31' ' ' ILE . 0.0 OUTLIER -122.58 117.64 52.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 65.349999999999994 111.138 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.409 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 3.4 mt -132.92 118.86 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 73.219999999999999 111.118 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.05 -49.95 7.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 72.530000000000001 112.478 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.573 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -158.6 155.98 29.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 75.209999999999994 110.914 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 16.0 mtp -131.68 122.81 26.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 75.430000000000007 110.904 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 81.1 t -134.26 114.87 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 72.219999999999999 111.11 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.51 16.59 55.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 74.349999999999994 112.497 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.61 -174.39 22.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.688 -0.768 . . . . 72.099999999999994 112.479 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 13.2 p -155.93 149.39 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 72.420000000000002 111.132 -179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.1 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 74.430000000000007 111.13 179.935 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.77 0.319 . . . . 63.539999999999999 110.875 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.3 79.29 1.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 75.319999999999993 111.087 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -53.16 -31.13 41.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 74.420000000000002 110.831 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -153.8 112.87 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.219999999999999 110.914 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -135.7 108.73 7.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 73.329999999999998 110.906 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.41 131.1 55.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 71.25 110.851 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -136.22 101.69 4.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.319999999999993 110.836 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.404 ' O ' ' HA ' ' C' ' 8' ' ' SER . 2.8 p -156.55 127.2 6.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 75.450000000000003 110.835 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.93 -26.69 11.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 74.219999999999999 112.508 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.35 107.08 3.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 73.409999999999997 110.935 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -108.04 119.59 39.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 71.209999999999994 110.873 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 3.5 p -137.25 126.12 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 75.310000000000002 111.15 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -123.66 112.92 17.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 74.109999999999999 110.867 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -116.06 126.25 53.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 74.400000000000006 110.812 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -124.26 132.62 53.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 72.200000000000003 110.924 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -130.67 117.88 20.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 72.439999999999998 110.891 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -122.05 111.86 17.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 73.140000000000001 110.88 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 93.1 t -108.42 111.42 35.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 75.450000000000003 111.144 179.793 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 10.3 m-30 -102.88 104.61 14.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 73.420000000000002 110.903 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 58.81 91.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 75.519999999999996 110.865 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.93 143.89 45.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 74.230000000000004 111.083 179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 18.6 t0 52.49 72.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 73.25 110.878 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 8.1 p -113.54 127.94 70.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 75.040000000000006 111.115 -179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.13 -34.35 46.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.795 -0.717 . . . . 72.129999999999995 112.472 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.59 140.51 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.91 0.386 . . . . 63.530000000000001 110.835 -179.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -99.18 102.01 13.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 71.340000000000003 110.892 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.13 159.57 19.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 73.099999999999994 110.919 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.34 -133.15 51.45 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.745 -0.741 . . . . 63.219999999999999 112.468 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.31 112.21 24.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.782 0.325 . . . . 74.140000000000001 111.087 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.46 HG12 ' HA ' ' C' ' 31' ' ' ILE . 0.0 OUTLIER -118.77 114.13 43.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 73.340000000000003 111.121 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.409 ' O ' ' HA ' ' A' ' 32' ' ' ILE . 3.4 mt -131.35 118.33 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 72.140000000000001 111.128 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.42 -49.12 20.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 65.519999999999996 112.544 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.567 ' N ' ' CD1' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -157.93 154.08 27.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.759 0.314 . . . . 75.25 110.979 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 8.8 mtp -128.69 121.49 28.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 75.319999999999993 110.895 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 90.5 t -136.3 114.0 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 74.439999999999998 111.14 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.78 17.51 42.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 64.239999999999995 112.483 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.71 -174.8 23.05 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.723 -0.751 . . . . 74.030000000000001 112.471 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 13.3 p -156.13 151.07 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 73.329999999999998 111.147 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 14.5 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 74.140000000000001 111.136 179.932 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.803 0.335 . . . . 73.409999999999997 110.833 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.55 79.73 1.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 75.540000000000006 111.132 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 -52.93 -31.12 38.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 74.129999999999995 110.93 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -152.69 113.1 4.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 75.329999999999998 110.925 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -134.62 108.96 8.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 74.439999999999998 110.846 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.01 130.84 55.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 72.310000000000002 110.866 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -135.64 102.15 5.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 73.349999999999994 110.827 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 8' ' ' SER . . . . . 0.404 ' HA ' ' O ' ' B' ' 8' ' ' SER . 2.8 p -156.23 127.18 6.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 72.299999999999997 110.864 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.8 -27.16 12.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 70.310000000000002 112.499 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.82 107.12 3.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.864 0.364 . . . . 75.150000000000006 110.974 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -107.58 119.93 40.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 72.430000000000007 110.909 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 3.7 p -136.39 126.71 40.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 74.340000000000003 111.128 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -122.76 113.01 18.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 74.310000000000002 110.873 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -115.48 125.76 53.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 75.140000000000001 110.824 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -125.48 132.52 52.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 75.0 110.938 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -129.02 119.06 23.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 74.230000000000004 110.915 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -123.27 110.05 14.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 75.329999999999998 110.957 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 93.9 t -107.98 111.18 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 63.340000000000003 111.081 179.879 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 8.5 m-30 -102.6 104.4 14.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 74.319999999999993 110.867 -179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 56.42 91.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 75.5 110.882 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.77 144.06 46.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 75.230000000000004 111.051 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 18.6 t0 52.82 72.56 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 73.040000000000006 110.852 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 8.0 p -113.91 127.75 71.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 72.129999999999995 111.158 179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.63 -33.86 42.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 75.340000000000003 112.503 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.34 139.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.352 . . . . 72.310000000000002 110.884 -179.756 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -99.17 100.65 11.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 61.229999999999997 110.848 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.34 159.74 19.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 73.400000000000006 110.883 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.26 -131.49 52.08 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 72.219999999999999 112.49 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -99.69 112.09 24.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.749 0.309 . . . . 65.299999999999997 111.078 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . 0.514 HG12 ' HA ' ' D' ' 31' ' ' ILE . 0.0 OUTLIER -116.71 111.93 37.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 73.140000000000001 111.118 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.61 117.84 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 74.409999999999997 111.102 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.23 -49.04 31.97 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.676 -0.773 . . . . 71.239999999999995 112.51 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.563 ' CD1' ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -156.81 152.93 27.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 72.310000000000002 110.931 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 11.3 mtp -128.37 119.79 25.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 74.200000000000003 110.868 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 91.0 t -137.3 113.93 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 75.040000000000006 111.12 179.988 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.9 18.19 38.97 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 71.219999999999999 112.451 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -105.73 -174.49 23.86 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 70.209999999999994 112.49 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 12.0 p -156.32 152.1 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 65.450000000000003 111.118 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 74.209999999999994 111.178 179.926 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.802 0.334 . . . . 75.0 110.853 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.99 79.78 1.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 74.109999999999999 111.121 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 17.5 mp0 -52.56 -31.72 37.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 74.400000000000006 110.913 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -152.35 112.88 4.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 74.299999999999997 110.833 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -133.11 108.57 8.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 71.400000000000006 110.913 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.82 129.93 56.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 74.120000000000005 110.889 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -134.21 101.93 5.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 54.32 110.899 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -156.27 127.24 6.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 55.119999999999997 110.871 -179.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.9 -26.76 19.28 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.71 -0.757 . . . . 74.409999999999997 112.467 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.96 106.86 3.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.812 0.339 . . . . 72.340000000000003 110.942 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -108.23 120.65 42.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 74.430000000000007 110.872 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -136.42 127.08 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 74.099999999999994 111.142 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -122.03 113.08 19.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 75.409999999999997 110.853 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -115.23 125.59 53.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 74.129999999999995 110.871 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -127.0 132.76 50.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 74.129999999999995 110.897 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.74 120.65 29.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 75.450000000000003 110.899 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -124.75 108.91 12.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 75.239999999999995 110.903 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 92.6 t -108.03 111.5 36.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 75.219999999999999 111.125 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 0.402 ' CG ' HD11 ' D' ' 34' ' ' LEU . 7.9 m-30 -102.22 102.8 13.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 75.340000000000003 110.867 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 56.87 91.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 74.439999999999998 110.895 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.89 144.28 46.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 71.439999999999998 111.064 179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 18.8 t0 52.9 72.77 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 72.120000000000005 110.854 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 8.2 p -115.16 127.6 72.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 64.540000000000006 111.138 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.5 -33.76 48.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 71.409999999999997 112.484 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.23 139.65 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.893 0.378 . . . . 64.239999999999995 110.879 -179.753 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 17.2 m-20 -99.47 100.64 11.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 73.439999999999998 110.906 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.06 160.28 19.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 74.400000000000006 110.886 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.76 -131.27 51.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.795 -0.717 . . . . 53.340000000000003 112.455 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . 0.467 ' O ' HG12 ' C' ' 31' ' ' ILE . . . -99.03 111.26 23.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.322 . . . . 54.219999999999999 111.117 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . 0.518 HG12 ' HA ' ' E' ' 31' ' ' ILE . 0.0 OUTLIER -114.04 111.41 35.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 74.099999999999994 111.144 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.5 117.55 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 65.409999999999997 111.128 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.66 -49.73 39.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.762 . . . . 75.420000000000002 112.5 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.545 ' N ' ' CD1' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -154.62 151.86 29.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 74.5 110.96 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 11.9 mtp -129.02 118.65 22.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 73.099999999999994 110.884 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 84.4 t -138.1 112.73 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 73.400000000000006 111.084 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.75 17.69 43.14 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.749 . . . . 61.210000000000001 112.478 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.26 -174.32 26.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.666 -0.778 . . . . 64.530000000000001 112.491 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 13.2 p -156.54 151.03 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 74.150000000000006 111.167 179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 15.1 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 74.349999999999994 111.141 179.929 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.832 0.349 . . . . 73.129999999999995 110.844 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.98 79.91 1.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 75.140000000000001 111.055 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . 0.4 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . 17.6 mp0 -52.6 -32.17 40.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 72.409999999999997 110.848 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -151.65 114.3 4.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 65.25 110.841 -179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -132.61 107.37 8.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 73.329999999999998 110.896 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.35 127.2 56.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 72.319999999999993 110.869 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -130.37 101.07 5.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 72.010000000000005 110.885 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -156.75 127.62 6.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 74.400000000000006 110.841 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.84 -25.04 43.55 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.75 . . . . 74.510000000000005 112.494 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.34 103.77 3.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 75.109999999999999 110.922 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -109.36 120.98 44.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 62.32 110.862 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 5.5 p -136.28 128.75 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 74.430000000000007 111.137 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -120.68 113.63 20.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 72.040000000000006 110.884 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -114.15 126.91 55.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 73.109999999999999 110.875 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -130.06 133.14 46.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 63.030000000000001 110.922 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.71 120.44 27.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 74.140000000000001 110.906 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -125.71 112.96 16.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 73.409999999999997 110.897 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 87.9 t -107.77 113.05 42.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 74.349999999999994 111.153 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 9.3 m-30 -102.37 98.82 8.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 74.0 110.857 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 53.79 90.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 73.219999999999999 110.831 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.6 144.86 45.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 65.329999999999998 111.11 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 19.0 t0 52.7 72.35 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 72.409999999999997 110.882 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -113.87 126.67 71.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 74.409999999999997 111.121 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.6 -33.59 34.0 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.691 -0.766 . . . . 74.519999999999996 112.514 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.56 138.27 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 74.25 110.907 -179.743 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -99.14 99.7 10.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 73.010000000000005 110.925 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.28 160.27 19.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 74.129999999999995 110.873 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.45 -133.38 51.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 55.43 112.517 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . 0.481 ' O ' HG12 ' D' ' 31' ' ' ILE . . . -95.49 112.35 24.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.743 0.306 . . . . 75.040000000000006 111.075 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . 0.518 ' HA ' HG12 ' D' ' 31' ' ' ILE . 0.0 OUTLIER -112.8 111.94 38.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 75.530000000000001 111.151 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.39 114.6 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 73.230000000000004 111.155 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.89 -47.55 47.46 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.734 -0.746 . . . . 63.439999999999998 112.475 179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.506 ' N ' ' CD1' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -153.99 152.02 30.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.336 . . . . 74.430000000000007 110.94 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 10.7 mtp -130.46 117.26 19.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 72.450000000000003 110.848 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 95.6 t -141.44 111.31 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 74.030000000000001 111.151 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.47 17.96 42.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 75.200000000000003 112.508 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.02 -173.49 25.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 62.049999999999997 112.471 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 11.8 p -156.28 151.86 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.871 0.367 . . . . 73.239999999999995 111.136 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 17.8 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 72.430000000000007 111.125 179.958 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.857 0.361 . . . . 74.109999999999999 110.875 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.95 78.32 1.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 74.329999999999998 111.133 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -53.51 -33.77 55.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 72.129999999999995 110.913 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -150.81 112.95 4.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 74.319999999999993 110.884 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -138.21 108.31 6.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 75.010000000000005 110.896 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.92 130.13 55.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 75.400000000000006 110.885 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -135.63 101.14 4.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 74.099999999999994 110.879 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 8' ' ' SER . . . . . 0.402 ' O ' ' HA ' ' G' ' 8' ' ' SER . 2.8 p -155.92 127.5 7.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 55.399999999999999 110.876 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.17 -26.61 13.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 71.329999999999998 112.476 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -145.24 109.19 4.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.805 0.336 . . . . 73.420000000000002 110.937 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -109.35 119.5 39.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 75.510000000000005 110.844 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 4.2 p -138.96 126.15 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 72.430000000000007 111.113 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -124.82 113.13 17.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 75.209999999999994 110.904 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -116.98 125.84 52.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 75.349999999999994 110.843 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -124.8 132.79 53.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 73.239999999999995 110.882 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -135.15 118.18 16.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 75.540000000000006 110.946 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -122.53 114.19 20.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 71.319999999999993 110.937 179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 88.2 t -108.95 113.15 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 73.25 111.12 179.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . 0.403 ' CG ' HD11 ' F' ' 34' ' ' LEU . 12.9 m-30 -103.16 106.22 16.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 74.430000000000007 110.892 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 58.78 91.58 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 74.209999999999994 110.828 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.44 144.0 45.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 73.450000000000003 111.11 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 18.7 t0 52.75 72.04 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 74.519999999999996 110.931 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 8.1 p -112.53 129.27 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 71.140000000000001 111.105 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.03 -35.78 49.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 72.310000000000002 112.493 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.84 138.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.363 . . . . 74.510000000000005 110.846 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -97.9 102.26 13.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 71.319999999999993 110.867 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.02 156.84 22.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 74.239999999999995 110.871 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.51 -138.24 48.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 71.219999999999999 112.457 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -95.21 111.5 23.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.736 0.303 . . . . 62.210000000000001 111.116 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . 0.402 HG13 HG22 ' G' ' 31' ' ' ILE . 0.0 OUTLIER -122.38 117.34 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 72.129999999999995 111.097 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -132.94 117.72 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 73.099999999999994 111.122 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -42.92 -49.93 6.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 72.540000000000006 112.473 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.567 ' N ' ' CD1' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -159.58 156.11 27.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 75.409999999999997 110.911 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 13.6 mtp -131.17 122.46 26.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 64.099999999999994 110.852 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 70.8 t -134.17 114.46 19.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 75.239999999999995 111.165 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.03 16.64 53.33 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.746 . . . . 72.219999999999999 112.477 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.89 -174.4 22.86 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 63.329999999999998 112.493 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 12.4 p -155.26 150.23 11.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.933 0.397 . . . . 65.340000000000003 111.119 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 21.0 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 64.140000000000001 111.162 179.91 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.798 0.332 . . . . 71.120000000000005 110.85 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.75 78.18 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 60.210000000000001 111.128 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -53.8 -34.19 58.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 75.400000000000006 110.889 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -154.38 113.48 3.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 75.239999999999995 110.877 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -135.73 108.92 7.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 74.030000000000001 110.841 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.88 130.5 55.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 75.209999999999994 110.851 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -135.57 101.66 4.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 74.420000000000002 110.867 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 8' ' ' SER . . . . . 0.419 ' O ' ' HA ' ' H' ' 8' ' ' SER . 2.8 p -156.68 126.89 6.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 74.010000000000005 110.88 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.11 -26.87 13.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 52.32 112.482 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -146.93 106.96 3.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.828 0.347 . . . . 73.150000000000006 110.944 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -107.63 119.75 40.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 65.310000000000002 110.843 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 4.1 p -137.16 126.44 36.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 73.299999999999997 111.112 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -123.99 113.09 17.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 75.329999999999998 110.857 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -116.33 125.74 52.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 75.409999999999997 110.858 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -123.76 132.93 53.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 75.219999999999999 110.895 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -131.23 117.72 19.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 74.409999999999997 110.904 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -122.18 111.56 17.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 75.450000000000003 110.897 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 92.2 t -108.46 111.1 34.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 74.150000000000006 111.166 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 10.3 m-30 -102.52 104.31 14.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 71.420000000000002 110.915 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 58.83 91.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 72.329999999999998 110.823 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -117.41 144.37 45.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 74.519999999999996 111.1 179.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 18.6 t0 52.38 72.78 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.540000000000006 110.909 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 8.0 p -113.06 127.65 70.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 71.310000000000002 111.161 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.79 -34.22 50.61 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.688 -0.768 . . . . 73.129999999999995 112.452 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.56 139.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 73.219999999999999 110.882 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -99.51 100.28 11.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 74.530000000000001 110.867 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.78 160.45 18.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 73.340000000000003 110.864 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.67 -134.05 51.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 61.340000000000003 112.508 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.46 112.21 24.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.766 0.317 . . . . 72.310000000000002 111.133 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . 0.457 HG13 ' CG2' ' H' ' 31' ' ' ILE . 0.0 OUTLIER -118.87 113.76 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 74.310000000000002 111.137 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.91 118.03 40.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 73.109999999999999 111.155 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.48 -49.08 21.36 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 74.439999999999998 112.532 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.562 ' N ' ' CD1' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -158.24 153.99 26.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 75.340000000000003 110.89 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 8.7 mtp -128.31 120.98 28.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 74.400000000000006 110.867 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 96.4 t -136.18 113.6 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 73.140000000000001 111.137 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.89 18.01 45.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 75.519999999999996 112.484 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.26 -174.67 23.42 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 44.299999999999997 112.533 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 p -156.93 151.23 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 64.329999999999998 111.152 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 16.4 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 74.239999999999995 111.099 179.952 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.801 0.334 . . . . 74.109999999999999 110.902 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.35 79.04 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 73.319999999999993 111.064 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -52.46 -33.73 45.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 73.010000000000005 110.912 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 3.2 m-85 -153.4 113.92 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 73.319999999999993 110.908 -179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -134.8 108.92 8.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 64.209999999999994 110.853 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.83 130.17 55.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 72.25 110.93 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -134.96 101.87 5.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 75.439999999999998 110.84 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 8' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' G' ' 8' ' ' SER . 2.8 p -156.42 127.19 6.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 73.040000000000006 110.845 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.2 -26.99 13.96 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 71.430000000000007 112.481 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.8 106.62 3.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.882 0.372 . . . . 63.43 110.888 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -106.99 119.85 40.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 65.310000000000002 110.868 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 4.1 p -136.84 126.59 38.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 72.430000000000007 111.172 179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -123.79 113.22 18.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 72.010000000000005 110.895 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -115.81 125.36 52.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 72.239999999999995 110.809 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -124.31 132.68 53.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 63.350000000000001 110.851 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -128.8 118.86 23.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 74.230000000000004 110.904 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -123.13 109.92 14.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 74.019999999999996 110.897 179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 92.0 t -107.9 110.94 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 74.239999999999995 111.152 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 8.7 m-30 -102.3 104.01 14.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 74.319999999999993 110.882 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 57.23 91.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 60.049999999999997 110.828 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.36 144.15 46.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 64.140000000000001 111.091 179.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 18.7 t0 52.64 72.78 0.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 74.430000000000007 110.853 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 7.7 p -113.43 127.45 70.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 75.510000000000005 111.117 -179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.76 -33.74 49.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 63.229999999999997 112.457 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.35 138.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 62.439999999999998 110.9 -179.731 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -99.67 99.6 10.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 74.129999999999995 110.86 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.93 160.96 18.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 74.299999999999997 110.91 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.8 -132.79 52.73 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 74.219999999999999 112.52 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.88 111.73 24.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.743 0.306 . . . . 73.230000000000004 111.093 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . 0.511 HG12 ' HA ' ' I' ' 31' ' ' ILE . 0.0 OUTLIER -116.02 111.97 37.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 75.140000000000001 111.124 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.46 117.27 38.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 75.5 111.128 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.99 -49.27 29.88 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 74.299999999999997 112.449 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . 0.564 ' CD1' ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -156.62 152.76 27.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.777 0.322 . . . . 74.420000000000002 110.936 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 10.5 mtp -128.03 119.3 25.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 70.25 110.88 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 93.6 t -137.18 113.69 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 73.230000000000004 111.149 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.45 17.69 40.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 53.549999999999997 112.517 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.81 -174.71 24.69 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 71.120000000000005 112.45 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 12.4 p -157.08 152.3 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 71.109999999999999 111.114 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 14.4 m . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 75.040000000000006 111.15 179.898 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.881 0.372 . . . . 74.510000000000005 110.903 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.02 79.08 1.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 71.450000000000003 111.101 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -52.97 -33.21 50.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 73.239999999999995 110.887 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 -151.88 113.92 4.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 75.299999999999997 110.854 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -133.75 108.52 8.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 73.030000000000001 110.836 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.69 130.31 55.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 65.409999999999997 110.865 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -134.53 101.74 5.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 71.340000000000003 110.847 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 8' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' H' ' 8' ' ' SER . 2.8 p -156.5 126.98 6.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 75.329999999999998 110.883 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.6 -26.93 17.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 74.099999999999994 112.5 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.73 106.76 3.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.814 0.34 . . . . 74.120000000000005 110.979 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -107.71 120.09 41.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 75.129999999999995 110.876 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 4.1 p -136.69 126.42 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 74.319999999999993 111.139 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -122.95 113.38 19.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 63.43 110.847 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -115.25 125.76 53.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 74.140000000000001 110.849 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -125.84 132.76 52.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 72.510000000000005 110.896 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -126.99 120.37 28.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 73.319999999999993 110.911 179.962 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -124.9 109.44 13.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 71.150000000000006 110.892 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 91.2 t -107.95 111.82 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 72.439999999999998 111.13 179.804 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . 0.413 ' CG ' HD11 ' I' ' 34' ' ' LEU . 8.1 m-30 -102.17 102.9 13.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 74.310000000000002 110.855 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 56.45 91.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 74.5 110.857 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.42 144.35 46.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 70.430000000000007 111.077 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 18.7 t0 53.0 72.9 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 72.319999999999993 110.868 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 7.6 p -114.5 126.97 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 64.239999999999995 111.158 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.88 -33.53 50.08 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 54.310000000000002 112.497 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.43 138.16 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 62.43 110.864 -179.73 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 16.5 m-20 -99.46 99.75 10.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 74.400000000000006 110.906 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.8 160.9 18.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 73.430000000000007 110.886 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.94 -132.33 52.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 73.129999999999995 112.499 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . 0.471 ' O ' HG12 ' H' ' 31' ' ' ILE . . . -98.61 110.98 23.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.739 0.304 . . . . 73.439999999999998 111.132 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . 0.516 HG12 ' HA ' ' J' ' 31' ' ' ILE . 0.0 OUTLIER -113.44 111.58 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 74.340000000000003 111.102 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -130.27 116.74 37.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 74.519999999999996 111.162 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.03 -49.98 34.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 61.299999999999997 112.501 179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . 0.545 ' N ' ' CD1' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -154.73 151.84 29.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.843 0.354 . . . . 74.209999999999994 110.918 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 12.0 mtp -128.71 118.36 22.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 74.109999999999999 110.901 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 83.9 t -137.81 112.91 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 74.409999999999997 111.167 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.46 17.73 41.21 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 64.109999999999999 112.513 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.83 -174.29 26.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.794 -0.717 . . . . 70.420000000000002 112.486 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 12.7 p -157.2 151.97 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 74.019999999999996 111.152 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 14.9 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 71.409999999999997 111.139 179.911 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.826 0.346 . . . . 64.209999999999994 110.905 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.55 79.0 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 61.119999999999997 111.123 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -52.6 -33.35 45.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 74.409999999999997 110.916 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 2.8 m-85 -151.3 114.69 4.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 73.219999999999999 110.888 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -133.44 107.99 8.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 75.430000000000007 110.824 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.21 127.25 56.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 72.239999999999995 110.896 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -130.31 101.33 5.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 73.530000000000001 110.921 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -156.93 127.6 6.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 72.230000000000004 110.878 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.33 -25.96 42.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 74.209999999999994 112.476 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.35 104.37 3.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 74.129999999999995 110.916 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -108.93 121.23 44.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 74.209999999999994 110.905 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 5.0 p -137.02 127.12 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 70.120000000000005 111.133 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -121.16 113.57 20.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 72.409999999999997 110.838 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -114.24 127.12 55.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 73.430000000000007 110.911 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -128.3 133.09 48.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 74.329999999999998 110.942 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -127.11 120.27 28.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 75.530000000000001 110.889 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -125.78 112.26 15.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 71.129999999999995 110.879 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 91.9 t -107.55 113.17 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 65.340000000000003 111.11 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 9.1 m-30 -102.28 99.29 9.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 75.510000000000005 110.834 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 54.13 90.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 73.099999999999994 110.884 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.36 145.27 45.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 71.310000000000002 111.068 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 18.9 t0 52.25 72.49 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 73.540000000000006 110.901 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 7.8 p -114.13 126.26 71.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 64.319999999999993 111.145 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.39 -33.66 32.55 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 74.140000000000001 112.447 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.47 137.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.949 0.404 . . . . 64.219999999999999 110.812 -179.752 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -98.95 99.09 10.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 74.5 110.83 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.08 160.39 18.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 74.209999999999994 110.895 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' E' ' 3' ' ' GLU . . . 60.14 -134.84 50.51 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 72.319999999999993 112.438 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . 0.495 ' O ' HG12 ' I' ' 31' ' ' ILE . . . -94.46 111.65 23.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 74.5 111.082 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . 0.516 ' HA ' HG12 ' I' ' 31' ' ' ILE . 0.0 OUTLIER -112.36 112.76 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 71.230000000000004 111.098 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.52 114.25 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 75.340000000000003 111.145 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.64 -47.66 45.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.758 -0.734 . . . . 74.129999999999995 112.494 179.904 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . 0.512 ' N ' ' CD1' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -154.35 152.05 29.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.847 0.356 . . . . 75.310000000000002 110.892 -179.905 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 10.4 mtp -130.27 117.05 19.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 75.450000000000003 110.907 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 91.7 t -141.28 111.7 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 74.349999999999994 111.139 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.29 18.18 41.68 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.762 -0.733 . . . . 75.239999999999995 112.514 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.44 -173.77 26.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.69 -0.766 . . . . 62.409999999999997 112.503 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 12.3 p -156.6 151.82 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 73.019999999999996 111.188 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 17.5 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 75.439999999999998 111.084 179.966 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.788 0.328 . . . . 73.129999999999995 110.893 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.78 89.06 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 72.329999999999998 111.081 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -52.01 -31.21 28.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 71.209999999999994 110.834 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 1.6 m-85 -157.64 113.87 2.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 73.319999999999993 110.86 -179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -133.54 108.72 8.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 74.019999999999996 110.834 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -110.64 125.65 53.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 74.120000000000005 110.844 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -132.12 101.69 5.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 71.319999999999993 110.833 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 21.9 m -148.15 176.56 10.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 70.230000000000004 110.85 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.77 -8.97 38.75 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.821 -0.704 . . . . 71.329999999999998 112.497 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -172.36 110.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 74.540000000000006 110.903 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -101.29 122.43 43.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 72.319999999999993 110.874 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.7 t -138.79 113.8 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 71.109999999999999 111.159 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.4 m170 -108.72 133.85 52.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 73.150000000000006 110.836 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 18.0 m-70 -137.79 112.61 8.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 63.5 110.878 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.95 133.95 49.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 63.130000000000003 110.901 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -127.97 117.41 21.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 73.439999999999998 110.888 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -118.21 111.08 18.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 75.140000000000001 110.944 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 35.8 m -115.89 120.48 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 74.319999999999993 111.152 179.837 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 11.0 m-85 -111.72 100.97 9.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 70.049999999999997 110.918 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 62.3 65.95 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 75.430000000000007 110.924 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.08 133.1 42.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 73.519999999999996 111.106 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 61.21 77.91 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 75.109999999999999 110.894 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 40.8 t -112.25 147.87 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 75.230000000000004 111.157 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.93 -47.31 9.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.789 -0.72 . . . . 71.319999999999993 112.477 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -161.43 121.55 2.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.882 0.373 . . . . 75.140000000000001 110.866 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.7 m120 -96.94 100.15 11.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 75.140000000000001 110.853 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.46 139.76 49.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 72.530000000000001 110.897 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.78 -140.75 22.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 62.039999999999999 112.491 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.2 113.85 27.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.341 . . . . 71.450000000000003 111.053 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -128.23 122.66 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 63.420000000000002 111.131 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -136.05 115.03 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 71.150000000000006 111.129 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.76 -45.67 8.94 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 64.209999999999994 112.525 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.583 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -168.54 146.61 4.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 73.439999999999998 110.906 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.3 ttp -129.78 127.2 39.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 74.120000000000005 110.904 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 62.6 t -132.42 114.02 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 74.049999999999997 111.154 179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.59 6.07 83.98 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.731 . . . . 61.409999999999997 112.483 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.35 -170.17 43.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 74.319999999999993 112.499 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -168.71 146.16 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.356 . . . . 74.340000000000003 111.175 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.0 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 75.530000000000001 111.082 179.973 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.78 0.324 . . . . 73.519999999999996 110.875 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.82 88.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 65.420000000000002 111.111 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -52.91 -30.27 33.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 73.230000000000004 110.886 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -158.31 113.64 2.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 74.239999999999995 110.887 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.6 tpt85 -130.86 108.74 10.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 75.540000000000006 110.842 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -109.89 125.64 53.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 74.25 110.879 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -132.48 101.21 5.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 75.310000000000002 110.915 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.413 ' O ' ' HA ' ' C' ' 8' ' ' SER . 21.9 m -147.68 176.06 10.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 71.099999999999994 110.842 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.72 -8.89 39.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 63.109999999999999 112.468 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -172.36 109.81 0.23 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.827 0.346 . . . . 75.420000000000002 110.976 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -99.95 121.58 41.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 74.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.3 t -137.68 113.99 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 73.140000000000001 111.168 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -108.94 133.54 52.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 74.299999999999997 110.862 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -136.38 113.33 10.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 65.040000000000006 110.892 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.7 133.31 49.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 74.329999999999998 110.946 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 tptm -126.51 117.81 23.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 70.439999999999998 110.908 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -120.7 111.44 17.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 75.420000000000002 110.936 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 27.5 m -117.73 119.8 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 71.510000000000005 111.081 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -110.35 101.09 9.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 75.219999999999999 110.873 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 61.71 66.41 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 63.299999999999997 110.892 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.63 133.21 41.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 73.030000000000001 111.12 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 60.09 78.51 0.27 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 65.109999999999999 110.871 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 42.5 t -112.43 148.22 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 74.230000000000004 111.109 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.17 -46.78 8.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 74.049999999999997 112.477 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -160.73 121.99 2.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.858 0.361 . . . . 73.519999999999996 110.872 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -97.0 99.86 11.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 73.25 110.881 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.13 143.38 45.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 73.519999999999996 110.896 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.59 -138.82 21.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 71.219999999999999 112.479 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.97 113.28 26.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.825 0.345 . . . . 54.240000000000002 111.075 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.68 120.18 56.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 70.319999999999993 111.123 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -134.07 112.31 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 74.209999999999994 111.151 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.75 -44.66 8.64 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 72.150000000000006 112.473 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.589 ' N ' ' CD1' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -165.37 149.08 8.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.79 0.329 . . . . 74.129999999999995 110.949 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.5 ttp -130.77 126.09 35.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 72.340000000000003 110.861 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 72.5 t -136.12 113.94 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 74.349999999999994 111.174 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.91 7.45 66.19 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 74.239999999999995 112.499 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.01 -170.93 45.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 72.25 112.495 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -168.82 145.85 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 73.109999999999999 111.125 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 74.420000000000002 111.095 179.941 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.787 0.327 . . . . 75.219999999999999 110.854 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.73 89.13 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 75.430000000000007 111.085 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -52.61 -31.14 35.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 72.230000000000004 110.881 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 -157.84 113.82 2.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 75.430000000000007 110.892 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -129.75 108.98 10.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 74.120000000000005 110.87 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 35.9 t60 -110.42 124.52 51.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 75.319999999999993 110.873 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -131.36 101.48 5.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 71.329999999999998 110.865 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 8' ' ' SER . . . . . 0.413 ' HA ' ' O ' ' B' ' 8' ' ' SER . 22.0 m -147.93 175.71 10.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 75.5 110.863 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.01 -8.62 38.82 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.773 -0.727 . . . . 64.400000000000006 112.477 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -172.18 110.22 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.341 . . . . 74.099999999999994 110.934 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -100.08 121.9 42.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 73.400000000000006 110.917 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -138.1 114.13 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 73.340000000000003 111.144 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 56.9 m170 -109.17 132.98 53.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 75.409999999999997 110.879 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -135.38 113.78 11.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 74.510000000000005 110.83 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.08 133.33 49.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 70.349999999999994 110.902 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 7.4 tptm -125.69 117.7 24.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 74.430000000000007 110.892 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -122.26 111.15 16.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 75.420000000000002 110.917 179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 27.5 m -118.31 119.99 63.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 74.450000000000003 111.163 179.803 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 4.0 m-85 -109.2 100.58 9.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 75.209999999999994 110.885 -179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 61.11 66.89 0.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 74.129999999999995 110.901 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.69 132.62 42.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 71.430000000000007 111.089 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 60.51 78.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 71.420000000000002 110.874 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 41.6 t -112.36 148.54 15.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 71.420000000000002 111.097 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.08 -46.47 8.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.68 -0.771 . . . . 74.450000000000003 112.497 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -160.47 121.74 3.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.874 0.369 . . . . 73.349999999999994 110.825 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -96.76 100.06 11.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 72.519999999999996 110.868 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.49 144.32 45.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 75.329999999999998 110.909 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.33 -138.01 20.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 70.420000000000002 112.535 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.63 113.24 26.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 63.219999999999999 111.114 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.81 119.25 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 73.200000000000003 111.101 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -133.37 113.34 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 73.219999999999999 111.125 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.4 -45.62 22.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 70.420000000000002 112.489 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.609 ' CD1' ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -162.46 147.81 12.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.784 0.325 . . . . 71.430000000000007 110.926 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.9 ttp -129.3 124.17 33.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 63.409999999999997 110.841 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 80.6 t -136.81 113.33 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 74.299999999999997 111.105 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.68 8.03 62.62 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.766 -0.731 . . . . 75.319999999999993 112.521 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.97 -171.68 45.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 55.240000000000002 112.5 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -168.39 145.92 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 73.329999999999998 111.158 -179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 33.8 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.530000000000001 111.134 179.896 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.775 0.321 . . . . 72.340000000000003 110.838 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.2 89.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 73.150000000000006 111.115 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -52.62 -30.87 33.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 61.229999999999997 110.838 -179.889 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -157.87 114.01 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 75.010000000000005 110.9 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 4.6 tpt85 -128.68 108.78 10.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 74.209999999999994 110.837 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -110.58 123.94 50.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 74.439999999999998 110.853 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -130.64 101.42 5.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 74.439999999999998 110.836 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 22.2 m -148.44 174.49 12.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 73.329999999999998 110.841 -179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.95 -7.85 40.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 64.340000000000003 112.495 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -172.11 110.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 75.510000000000005 110.905 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -100.13 122.02 42.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 70.329999999999998 110.877 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -137.92 114.34 11.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 73.450000000000003 111.147 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -109.36 133.96 52.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.140000000000001 110.853 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -135.86 114.34 11.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 73.340000000000003 110.84 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.64 133.3 48.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 72.239999999999995 110.925 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 tptm -124.88 116.72 22.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 72.209999999999994 110.92 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -123.73 110.31 14.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 74.420000000000002 110.875 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 30.9 m -118.74 120.89 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 62.530000000000001 111.112 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 0.407 ' HB3' ' HA3' ' D' ' 33' ' ' GLY . 2.4 m-85 -108.41 100.49 9.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 72.540000000000006 110.892 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 61.29 67.87 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 73.540000000000006 110.848 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.52 132.69 42.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 62.149999999999999 111.098 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 60.73 78.26 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 64.140000000000001 110.863 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 46.0 t -112.83 147.03 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 73.450000000000003 111.114 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.84 -46.39 8.51 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 52.240000000000002 112.513 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -160.42 121.68 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 75.340000000000003 110.905 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -96.57 99.73 11.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 72.109999999999999 110.88 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.28 145.2 43.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 74.400000000000006 110.909 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.04 -137.54 20.07 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 73.319999999999993 112.482 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.31 112.97 26.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 72.430000000000007 111.114 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.29 119.01 56.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 74.109999999999999 111.158 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -131.53 111.92 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 74.329999999999998 111.136 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . 0.407 ' HA3' ' HB3' ' D' ' 19' ' ' PHE . . . -48.08 -43.27 24.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.757 . . . . 72.450000000000003 112.519 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.609 ' N ' ' CD1' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -163.27 147.08 10.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 73.519999999999996 110.864 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 3.2 ttp -130.48 122.97 28.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 75.420000000000002 110.907 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 74.1 t -136.77 113.26 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 71.310000000000002 111.104 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.46 8.92 60.48 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 63.340000000000003 112.509 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.55 -172.28 46.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 61.340000000000003 112.522 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -167.36 146.24 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 74.030000000000001 111.14 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 34.0 m . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 74.530000000000001 111.079 179.947 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.884 0.373 . . . . 73.409999999999997 110.891 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.47 88.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 75.010000000000005 111.068 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 5.2 mp0 -52.25 -30.89 29.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 74.140000000000001 110.904 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -157.72 115.0 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 64.239999999999995 110.899 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 tpt85 -128.07 108.17 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 70.150000000000006 110.864 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -111.16 123.34 50.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 73.099999999999994 110.887 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -128.82 100.96 5.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 74.150000000000006 110.878 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 22.6 m -150.02 170.88 17.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 74.099999999999994 110.811 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.27 -7.02 44.12 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 53.420000000000002 112.414 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -170.02 108.68 0.38 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.87 0.367 . . . . 74.209999999999994 110.904 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -101.12 121.45 41.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 74.299999999999997 110.872 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 21.3 t -137.77 115.57 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 64.219999999999999 111.098 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -108.89 134.26 51.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 75.439999999999998 110.836 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -133.81 113.96 12.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 73.310000000000002 110.843 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.9 133.12 46.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 75.230000000000004 110.901 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 tptm -124.96 115.72 21.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 74.019999999999996 110.934 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -124.41 110.06 14.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 72.439999999999998 110.912 179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 27.5 m -119.38 124.35 72.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 72.030000000000001 111.12 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' E' ' 19' ' ' PHE . 1.7 m-85 -109.5 99.29 8.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 74.329999999999998 110.892 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 62.81 69.69 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 73.319999999999993 110.845 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.36 133.18 43.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 65.450000000000003 111.129 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 59.71 79.63 0.22 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 73.209999999999994 110.885 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 48.6 t -114.11 147.5 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 65.329999999999998 111.103 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.73 -46.14 8.05 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.685 -0.769 . . . . 72.230000000000004 112.474 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -161.21 122.98 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 75.109999999999999 110.868 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 23.4 m120 -96.72 99.94 11.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 73.099999999999994 110.893 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.32 145.31 44.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 72.329999999999998 110.9 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.08 -139.47 22.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 70.310000000000002 112.486 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.95 113.44 25.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.759 0.314 . . . . 73.209999999999994 111.144 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.71 121.37 64.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 63.299999999999997 111.119 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 mt -133.1 110.64 15.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 73.120000000000005 111.125 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.96 -37.95 45.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 55.409999999999997 112.443 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.547 ' HA ' HD11 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -166.89 144.59 4.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.873 0.368 . . . . 65.120000000000005 110.876 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ttp -131.03 122.37 26.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 72.129999999999995 110.868 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 69.2 t -137.9 112.0 8.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 74.219999999999999 111.113 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.59 9.39 58.54 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.743 -0.741 . . . . 63.25 112.524 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -87.48 -171.33 47.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.724 . . . . 70.230000000000004 112.475 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 7.6 p -167.38 146.89 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 73.439999999999998 111.153 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 34.0 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 72.530000000000001 111.131 179.919 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.796 0.331 . . . . 72.549999999999997 110.854 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.06 88.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 72.230000000000004 111.102 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -52.67 -31.33 36.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 64.230000000000004 110.91 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -155.95 114.04 3.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 75.519999999999996 110.908 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 -132.48 108.55 9.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 73.230000000000004 110.862 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -110.39 124.89 52.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 55.210000000000001 110.845 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -131.38 101.65 5.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 74.319999999999993 110.907 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 23.1 m -148.37 176.31 10.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 64.430000000000007 110.872 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.72 -8.97 38.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 75.430000000000007 112.514 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -172.33 111.0 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.871 0.367 . . . . 73.049999999999997 110.898 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -101.17 122.44 43.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.504 . . . . 74.310000000000002 110.859 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 19.4 t -138.89 113.87 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 71.040000000000006 111.125 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 57.8 m170 -108.58 133.75 52.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 72.310000000000002 110.849 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -137.5 112.05 8.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 71.299999999999997 110.896 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.46 133.48 49.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 70.409999999999997 110.922 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -127.75 117.34 21.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 72.200000000000003 110.904 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -118.32 111.05 18.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 74.040000000000006 110.896 179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 35.7 m -115.9 120.53 65.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 72.010000000000005 111.142 179.832 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -111.69 101.09 9.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 73.540000000000006 110.889 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 62.33 65.83 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 75.329999999999998 110.89 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.83 133.11 41.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 75.519999999999996 111.092 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 61.51 78.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 74.340000000000003 110.88 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 43.4 t -112.66 147.66 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 62.210000000000001 111.125 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.65 -47.43 8.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.788 -0.72 . . . . 53.130000000000003 112.447 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.5 m -160.63 120.99 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 72.340000000000003 110.871 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 18.3 m120 -96.93 99.51 11.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 65.120000000000005 110.908 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.53 140.72 48.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 74.409999999999997 110.893 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.69 -141.13 22.44 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 71.310000000000002 112.459 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -101.74 113.37 26.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 75.319999999999993 111.105 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -127.89 123.25 60.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 75.129999999999995 111.157 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -137.15 114.51 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 75.450000000000003 111.129 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.34 -45.69 8.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 72.010000000000005 112.52 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.579 ' N ' ' CD1' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -168.7 146.48 3.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.821 0.343 . . . . 74.510000000000005 110.943 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 3.4 ttp -129.55 126.78 39.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 71.439999999999998 110.887 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 60.9 t -131.81 114.09 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 73.239999999999995 111.144 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.85 6.41 81.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 64.140000000000001 112.47 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.19 -170.66 43.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.732 . . . . 52.009999999999998 112.481 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -168.92 146.19 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 71.430000000000007 111.145 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 75.420000000000002 111.148 179.949 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.841 0.353 . . . . 74.209999999999994 110.9 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.83 88.9 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 75.319999999999993 111.128 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -52.62 -31.35 36.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 53.530000000000001 110.918 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -157.82 114.04 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 75.450000000000003 110.889 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 tpt85 -130.56 109.0 10.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 74.450000000000003 110.899 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -109.96 124.79 52.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 71.430000000000007 110.805 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -131.43 101.38 5.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 72.319999999999993 110.878 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 8' ' ' SER . . . . . 0.4 ' O ' ' HA ' ' H' ' 8' ' ' SER . 22.5 m -148.11 175.74 10.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 64.299999999999997 110.884 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.63 -8.57 39.93 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 72.349999999999994 112.492 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -172.68 110.24 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.89 0.376 . . . . 75.319999999999993 110.927 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -100.23 121.76 41.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 74.219999999999999 110.906 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 21.3 t -137.76 113.98 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 72.129999999999995 111.136 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 57.6 m170 -108.71 133.36 52.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 75.129999999999995 110.843 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -136.19 113.25 10.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 71.400000000000006 110.824 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.5 133.1 49.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 70.310000000000002 110.905 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -126.44 117.67 23.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 74.109999999999999 110.877 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -120.86 111.05 17.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 74.109999999999999 110.924 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 28.2 m -117.53 119.76 62.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 70.209999999999994 111.106 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 5.7 m-85 -110.26 101.17 9.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 71.209999999999994 110.866 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 61.74 66.18 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 73.019999999999996 110.894 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.58 132.79 41.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 65.030000000000001 111.128 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 60.98 78.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 74.030000000000001 110.875 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 43.4 t -113.38 147.86 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 75.519999999999996 111.113 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.55 -46.99 8.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 72.439999999999998 112.5 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 4.7 m -159.85 121.45 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 74.129999999999995 110.849 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 17.3 m120 -97.22 99.49 10.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 72.120000000000005 110.869 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.08 144.29 44.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 75.230000000000004 110.913 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.57 -139.18 22.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.703 -0.761 . . . . 71.129999999999995 112.51 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.79 113.23 26.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.785 0.326 . . . . 50.119999999999997 111.074 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -125.67 120.67 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 72.310000000000002 111.139 179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -134.53 112.1 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 73.329999999999998 111.134 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.77 -44.95 8.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.728 -0.749 . . . . 72.209999999999994 112.476 179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.595 ' N ' ' CD1' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -165.11 149.07 8.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.781 0.324 . . . . 74.129999999999995 110.904 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 2.5 ttp -130.44 126.02 35.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 75.439999999999998 110.863 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 74.7 t -136.06 113.8 14.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 75.129999999999995 111.131 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.44 7.7 64.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 73.200000000000003 112.53 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.1 -171.2 45.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.689 -0.767 . . . . 74.239999999999995 112.442 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 7.1 p -169.07 146.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 71.450000000000003 111.146 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 34.0 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 75.349999999999994 111.157 179.943 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.768 0.318 . . . . 72.439999999999998 110.84 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.29 88.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 75.310000000000002 111.083 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -52.14 -31.63 31.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 72.299999999999997 110.857 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -157.42 114.1 2.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 74.140000000000001 110.91 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -129.71 108.95 10.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 75.109999999999999 110.883 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -110.16 124.35 51.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 65.409999999999997 110.869 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -131.21 101.55 5.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 73.019999999999996 110.886 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 8' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' G' ' 8' ' ' SER . 21.7 m -147.98 175.44 10.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 74.219999999999999 110.855 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.72 -8.46 39.93 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.701 -0.761 . . . . 73.430000000000007 112.468 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -172.39 110.24 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.372 . . . . 74.340000000000003 110.909 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -99.89 122.12 42.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.136 -0.483 . . . . 71.120000000000005 110.932 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -138.39 114.19 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 71.439999999999998 111.093 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -109.22 133.22 53.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 72.439999999999998 110.876 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 18.2 m-70 -135.56 113.92 11.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 72.209999999999994 110.867 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.72 133.23 49.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 73.430000000000007 110.934 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 tptm -125.55 117.11 22.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 71.439999999999998 110.851 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -122.19 111.25 16.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 73.420000000000002 110.884 179.9 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 27.5 m -118.7 120.26 63.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 73.530000000000001 111.138 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 3.9 m-85 -109.45 100.58 9.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 75.430000000000007 110.842 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 61.11 67.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 75.040000000000006 110.852 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.8 132.53 42.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 74.219999999999999 111.055 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 60.73 79.01 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 53.32 110.875 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 41.9 t -112.85 148.21 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 74.450000000000003 111.118 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.21 -46.51 8.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 50.210000000000001 112.493 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -159.81 121.35 3.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.835 0.35 . . . . 72.140000000000001 110.876 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -97.22 99.39 10.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 73.109999999999999 110.87 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.04 145.38 43.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 75.530000000000001 110.876 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.1 -138.51 21.41 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.724 -0.751 . . . . 73.349999999999994 112.483 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.46 112.94 25.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.729 0.299 . . . . 74.400000000000006 111.132 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -124.42 119.58 56.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 75.209999999999994 111.08 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -133.59 113.06 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 72.010000000000005 111.083 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.38 -45.47 22.15 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.765 -0.731 . . . . 65.010000000000005 112.454 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . 0.602 ' CD1' ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -162.61 147.61 12.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.827 0.346 . . . . 73.430000000000007 110.943 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 3.0 ttp -129.27 123.65 32.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 74.310000000000002 110.917 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 80.4 t -136.4 113.79 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 73.540000000000006 111.122 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.3 8.14 61.68 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 61.240000000000002 112.46 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.72 -171.96 46.27 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.713 -0.756 . . . . 71.310000000000002 112.485 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -168.74 146.09 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 73.540000000000006 111.177 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 33.9 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 71.549999999999997 111.127 179.912 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.852 0.358 . . . . 72.219999999999999 110.891 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.82 88.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 72.430000000000007 111.127 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -52.14 -31.37 30.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 74.040000000000006 110.906 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -157.5 114.16 2.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 73.219999999999999 110.943 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -128.95 108.7 10.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 75.019999999999996 110.888 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -110.52 123.93 50.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 74.239999999999995 110.846 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -130.72 101.47 5.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 64.129999999999995 110.846 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 21.3 m -148.39 174.6 11.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 73.200000000000003 110.813 -179.754 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.75 -8.11 40.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.765 -0.731 . . . . 74.409999999999997 112.49 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -172.13 110.32 0.26 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.876 0.37 . . . . 75.409999999999997 110.905 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -99.77 122.04 42.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.491 . . . . 75.040000000000006 110.852 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 21.3 t -137.99 114.27 10.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 64.209999999999994 111.1 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 57.6 m170 -109.41 133.91 52.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 71.140000000000001 110.846 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 18.1 m-70 -135.61 114.31 11.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 73.450000000000003 110.83 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.4 133.16 48.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 74.25 110.88 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 tptm -124.92 116.45 22.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 74.439999999999998 110.937 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -123.68 110.38 14.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 75.319999999999993 110.914 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 31.3 m -118.83 120.86 65.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 73.519999999999996 111.108 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 2.4 m-85 -108.46 100.44 9.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 74.409999999999997 110.883 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 61.43 68.22 0.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 53.229999999999997 110.854 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.84 132.98 42.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 51.219999999999999 111.091 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 60.43 79.09 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 61.039999999999999 110.831 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 43.3 t -113.66 147.34 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 73.109999999999999 111.187 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.5 -46.49 7.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 62.229999999999997 112.527 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 4.7 m -159.65 121.18 3.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 62.310000000000002 110.846 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 18.1 m120 -97.04 99.19 10.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 74.140000000000001 110.893 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.4 146.48 42.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 72.409999999999997 110.869 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.79 -137.95 20.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.791 -0.719 . . . . 71.340000000000003 112.463 179.908 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.11 112.85 25.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.76 0.314 . . . . 64.420000000000002 111.15 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -123.13 119.82 58.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 74.319999999999993 111.115 -179.967 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -132.36 111.86 18.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 74.150000000000006 111.13 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.39 -43.07 26.77 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 65.400000000000006 112.499 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . 0.607 ' N ' ' CD1' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -163.6 146.95 10.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 64.530000000000001 110.896 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 3.1 ttp -130.12 122.96 29.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 70.420000000000002 110.901 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 71.3 t -137.18 113.61 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 65.239999999999995 111.139 179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.38 8.77 59.95 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.727 . . . . 73.140000000000001 112.444 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.0 -173.36 46.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 72.030000000000001 112.494 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 7.2 p -167.34 146.51 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 73.430000000000007 111.111 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 34.1 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 75.150000000000006 111.101 179.894 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.791 0.329 . . . . 73.319999999999993 110.879 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.82 88.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 75.109999999999999 111.053 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -51.96 -31.5 29.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.46 . . . . 71.530000000000001 110.953 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -157.88 115.04 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 75.129999999999995 110.867 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 4.4 tpt85 -128.6 108.55 10.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 75.450000000000003 110.849 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -111.0 123.06 49.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 75.109999999999999 110.857 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -128.88 101.12 5.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 73.129999999999995 110.832 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 23.8 m -149.52 170.4 18.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 72.400000000000006 110.845 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.41 -7.06 46.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 71.239999999999995 112.466 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -170.51 108.4 0.33 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.856 0.36 . . . . 74.530000000000001 110.951 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -100.18 121.16 41.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 74.099999999999994 110.857 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 21.3 t -137.73 115.01 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 65.349999999999994 111.12 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 57.5 m170 -108.46 134.72 50.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 75.010000000000005 110.882 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 18.3 m-70 -134.34 113.75 12.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 74.530000000000001 110.867 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.69 132.96 46.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 71.030000000000001 110.935 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 tptm -124.92 115.77 21.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 74.209999999999994 110.917 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -124.52 109.89 13.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 75.519999999999996 110.891 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 26.4 m -119.3 124.48 73.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 74.420000000000002 111.122 179.816 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' J' ' 19' ' ' PHE . 1.6 m-85 -109.89 99.25 8.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 73.120000000000005 110.895 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 62.82 70.06 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 74.319999999999993 110.89 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.05 132.83 44.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 74.409999999999997 111.117 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 60.12 79.76 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 73.200000000000003 110.84 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 47.4 t -114.48 147.79 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 62.219999999999999 111.144 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.07 -46.48 7.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 73.420000000000002 112.484 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 4.5 m -160.35 121.86 3.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 73.519999999999996 110.855 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 22.6 m120 -96.65 99.25 10.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 64.209999999999994 110.911 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.05 146.7 42.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 64.299999999999997 110.885 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.53 -140.56 24.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 73.430000000000007 112.538 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -98.4 112.91 24.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 72.230000000000004 111.108 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.44 121.96 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 65.219999999999999 111.101 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 mt -132.91 110.38 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 64.349999999999994 111.133 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.83 -36.85 42.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.746 . . . . 75.420000000000002 112.509 179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . 0.541 ' N ' ' CD1' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -168.23 144.7 3.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.76 0.314 . . . . 74.299999999999997 110.932 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 3.5 ttp -130.51 121.69 26.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 73.150000000000006 110.903 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 78.4 t -138.27 111.7 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 63.340000000000003 111.163 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.29 9.02 60.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 61.439999999999998 112.485 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.41 -170.78 45.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.789 -0.719 . . . . 64.25 112.465 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 7.6 p -167.96 147.02 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.389 . . . . 74.439999999999998 111.117 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 34.2 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 74.219999999999999 111.11 179.895 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.821 0.343 . . . . 71.409999999999997 110.857 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.08 91.72 7.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 73.219999999999999 111.12 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . 0.553 ' HB3' ' HA2' ' F' ' 29' ' ' GLY . 3.4 mm-40 -56.32 -40.41 74.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 74.310000000000002 110.93 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -169.92 116.34 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 73.329999999999998 110.892 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -103.51 108.28 19.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 71.549999999999997 110.873 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -109.29 114.91 28.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 74.219999999999999 110.806 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -135.16 100.76 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 73.329999999999998 110.847 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.478 ' O ' ' HA ' ' B' ' 8' ' ' SER . 80.0 p -147.91 127.91 13.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 64.439999999999998 110.871 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.57 -21.5 21.38 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.746 -0.74 . . . . 62.420000000000002 112.452 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -159.74 111.56 2.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 74.209999999999994 110.9 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -109.65 119.68 40.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 73.239999999999995 110.867 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.6 t -138.19 134.9 44.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 74.329999999999998 111.109 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -130.51 112.71 13.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 75.409999999999997 110.824 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -117.04 126.46 52.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 73.140000000000001 110.852 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.09 133.48 46.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 71.219999999999999 110.892 -179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.7 tttp -126.4 125.04 41.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 73.409999999999997 110.881 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -124.22 103.09 8.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 74.549999999999997 110.935 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -109.61 111.22 35.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 72.519999999999996 111.158 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 -102.94 138.83 39.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 73.519999999999996 110.812 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.408 ' CZ ' ' N ' ' A' ' 33' ' ' GLY . 16.7 m-85 62.02 39.97 12.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 74.540000000000006 110.906 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.35 121.91 33.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 72.239999999999995 111.083 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 60.49 75.49 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 65.209999999999994 110.878 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.0 p -129.28 142.64 43.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 72.150000000000006 111.112 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.91 -48.48 78.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 73.310000000000002 112.495 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.07 141.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 70.439999999999998 110.883 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 93.9 m-20 -101.22 107.83 19.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 75.030000000000001 110.869 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.81 159.92 18.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 74.299999999999997 110.916 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.93 -128.94 22.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 64.140000000000001 112.471 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.16 113.79 26.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.323 . . . . 62.130000000000003 111.065 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -128.42 124.81 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 71.140000000000001 111.145 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 mt -134.78 116.56 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 73.430000000000007 111.15 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.408 ' N ' ' CZ ' ' A' ' 20' ' ' PHE . . . -47.46 -53.08 12.97 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.719 -0.753 . . . . 64.129999999999995 112.458 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.598 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -159.01 153.31 23.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 74.409999999999997 110.926 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.1 mtp -132.98 131.32 40.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 74.230000000000004 110.851 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 50.6 t -121.11 115.61 47.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 72.030000000000001 111.143 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 54.18 27.89 40.44 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 42.43 112.497 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.97 -177.55 17.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.787 -0.721 . . . . 61.5 112.501 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 8.0 p -148.96 136.26 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.377 . . . . 70.510000000000005 111.139 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 22.0 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 74.140000000000001 111.095 179.984 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.821 0.343 . . . . 71.340000000000003 110.872 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.61 95.46 10.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 73.209999999999994 111.091 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . 0.517 ' HB3' ' HA2' ' G' ' 29' ' ' GLY . 4.4 mm-40 -54.28 -32.89 57.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 70.310000000000002 110.935 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -168.45 118.91 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 74.209999999999994 110.877 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -105.46 107.89 19.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 73.140000000000001 110.828 -179.898 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -108.69 116.24 31.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 74.239999999999995 110.862 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -131.98 100.98 5.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 65.219999999999999 110.884 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 8' ' ' SER . . . . . 0.504 ' O ' ' HA ' ' C' ' 8' ' ' SER . 79.5 p -148.0 126.43 12.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 75.109999999999999 110.86 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.88 -20.93 21.43 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.776 -0.726 . . . . 74.129999999999995 112.492 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -161.29 109.04 1.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.89 0.376 . . . . 71.400000000000006 110.961 -179.839 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -106.9 120.2 41.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 65.519999999999996 110.894 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 41.3 t -137.3 135.57 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 74.430000000000007 111.131 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -131.33 112.8 13.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 75.420000000000002 110.834 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -115.61 128.44 55.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 74.129999999999995 110.865 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.94 134.3 48.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 74.310000000000002 110.905 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 tttp -124.2 125.79 45.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 73.340000000000003 110.926 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -127.6 102.15 6.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 75.439999999999998 110.946 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 t -109.31 113.25 43.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 62.109999999999999 111.152 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 4.8 m-85 -107.7 134.3 50.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 71.439999999999998 110.892 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.4 ' CZ ' ' N ' ' B' ' 33' ' ' GLY . 20.5 m-85 62.13 39.45 12.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 75.150000000000006 110.84 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.24 124.3 35.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 64.120000000000005 111.069 179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 57.45 75.38 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 72.239999999999995 110.895 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 6.7 p -127.42 142.25 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 73.319999999999993 111.167 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.46 -47.08 92.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 52.109999999999999 112.527 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.97 140.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 72.540000000000006 110.856 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -101.85 107.96 19.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 72.109999999999999 110.901 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.67 161.17 16.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 72.200000000000003 110.882 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.11 -130.08 18.59 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 72.129999999999995 112.488 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.72 114.18 26.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.751 0.31 . . . . 72.140000000000001 111.091 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -127.56 121.9 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 72.430000000000007 111.162 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 mt -131.44 118.06 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 75.420000000000002 111.168 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . 0.4 ' N ' ' CZ ' ' B' ' 20' ' ' PHE . . . -48.07 -52.97 15.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 75.120000000000005 112.493 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.593 ' N ' ' CD1' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -155.83 151.65 27.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 73.400000000000006 110.904 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 5.4 mtp -129.23 124.92 35.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 74.109999999999999 110.868 179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 53.2 t -121.73 113.64 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 73.049999999999997 111.178 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.88 28.51 31.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.751 . . . . 72.120000000000005 112.527 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.35 -178.05 17.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 75.530000000000001 112.482 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 7.3 p -149.37 135.09 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.371 . . . . 71.299999999999997 111.151 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 74.329999999999998 111.088 179.962 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.812 0.339 . . . . 70.530000000000001 110.859 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.71 95.18 10.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 72.319999999999993 111.068 179.971 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . 0.417 ' HB3' ' HA2' ' H' ' 29' ' ' GLY . 4.2 mm-40 -55.82 -30.97 62.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 75.219999999999999 110.887 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -169.52 115.74 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 73.109999999999999 110.92 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 mmt85 -105.82 106.99 17.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 75.299999999999997 110.916 -179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -108.31 117.73 34.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 75.109999999999999 110.882 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -130.88 100.18 5.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 75.530000000000001 110.906 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 8' ' ' SER . . . . . 0.504 ' HA ' ' O ' ' B' ' 8' ' ' SER . 79.4 p -147.5 127.37 13.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 64.010000000000005 110.853 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.23 -20.95 23.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.697 -0.763 . . . . 73.400000000000006 112.51 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -162.01 110.94 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 63.439999999999998 110.922 -179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -108.19 120.37 42.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 73.200000000000003 110.874 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 41.6 t -136.87 135.69 48.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 71.230000000000004 111.148 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -131.07 113.09 13.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 74.209999999999994 110.849 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -114.14 130.37 56.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 74.310000000000002 110.862 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.1 134.12 47.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 74.450000000000003 110.931 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 tttp -123.46 123.96 41.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 72.540000000000006 110.905 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -129.34 101.95 6.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 74.549999999999997 110.946 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 1.4 t -110.51 114.48 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 75.129999999999995 111.138 179.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 -108.06 133.69 52.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 74.519999999999996 110.877 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 60.64 40.66 16.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 73.310000000000002 110.877 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.42 124.9 35.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 73.430000000000007 111.106 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 53.87 75.18 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 75.200000000000003 110.854 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . 0.417 HG13 ' HA ' ' D' ' 24' ' ' VAL . 9.3 p -123.3 140.55 46.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 70.420000000000002 111.126 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.17 -46.14 94.25 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.772 -0.728 . . . . 73.349999999999994 112.5 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.9 137.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 63.299999999999997 110.849 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 92.4 m-20 -101.56 106.62 17.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 74.430000000000007 110.897 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.45 161.21 15.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.230000000000004 110.911 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.92 -131.6 23.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.803 -0.713 . . . . 73.540000000000006 112.462 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.01 114.07 25.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 71.450000000000003 111.12 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -127.0 121.46 58.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 74.239999999999995 111.13 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.9 mt -130.51 117.99 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 72.510000000000005 111.128 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.45 -53.03 17.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 62.32 112.525 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.606 ' CD1' ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -154.41 149.64 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.349 . . . . 73.420000000000002 110.871 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 6.0 mtp -128.15 123.25 33.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 71.140000000000001 110.862 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 62.1 t -122.71 112.53 34.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 73.010000000000005 111.134 179.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.82 31.01 30.45 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.741 . . . . 72.319999999999993 112.506 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.23 -178.7 16.65 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 42.210000000000001 112.477 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 7.7 p -149.46 134.56 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 74.230000000000004 111.139 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.1 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 74.049999999999997 111.167 179.867 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.789 0.328 . . . . 73.140000000000001 110.851 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.12 93.87 9.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 73.0 111.066 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 4.1 mm-40 -55.21 -29.28 57.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 74.209999999999994 110.889 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -170.4 115.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 70.129999999999995 110.888 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -106.63 106.53 17.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 74.120000000000005 110.868 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -107.53 119.21 38.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 75.540000000000006 110.9 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -130.14 100.05 5.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 75.129999999999995 110.879 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 8' ' ' SER . . . . . 0.499 ' HA ' ' O ' ' C' ' 8' ' ' SER . 79.5 p -148.05 127.27 12.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 73.319999999999993 110.875 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.48 -21.1 26.23 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.752 . . . . 64.409999999999997 112.511 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -162.43 110.9 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.861 0.362 . . . . 73.340000000000003 110.928 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -108.02 120.81 43.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 75.299999999999997 110.934 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 41.7 t -136.67 135.76 48.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 73.430000000000007 111.102 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -130.38 114.11 15.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 75.299999999999997 110.858 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -113.5 131.69 55.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 75.549999999999997 110.862 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.01 133.76 44.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 74.109999999999999 110.91 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 tttp -122.6 121.69 37.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 64.409999999999997 110.867 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -130.48 101.44 5.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 65.329999999999998 110.952 179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.8 OUTLIER -110.57 116.41 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 75.420000000000002 111.12 179.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -108.06 133.58 52.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 74.409999999999997 110.852 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 58.5 40.67 23.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 74.299999999999997 110.882 -179.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.36 124.08 34.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 74.439999999999998 111.066 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 54.09 73.27 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 73.109999999999999 110.859 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . 0.417 ' HA ' HG13 ' C' ' 24' ' ' VAL . 9.9 p -119.11 138.03 51.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 74.340000000000003 111.13 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.91 -44.55 96.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.759 -0.734 . . . . 74.129999999999995 112.461 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.43 134.45 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 75.299999999999997 110.884 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 92.5 m-20 -101.23 106.43 17.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 72.519999999999996 110.851 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.83 161.46 15.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 72.140000000000001 110.92 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.73 -131.99 27.17 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 64.329999999999998 112.49 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.08 114.03 25.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.758 0.313 . . . . 73.540000000000006 111.119 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -127.62 121.36 56.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 72.530000000000001 111.149 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 6.9 mt -129.62 118.19 44.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 73.230000000000004 111.158 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.11 -54.11 16.32 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.689 -0.767 . . . . 75.25 112.457 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.624 ' N ' ' CD1' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -152.18 146.8 25.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.772 0.32 . . . . 75.239999999999995 110.902 -179.894 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 6.5 mtp -127.89 123.1 34.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 74.129999999999995 110.908 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 59.4 t -125.53 112.39 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 63.530000000000001 111.135 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.3 31.27 34.5 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.695 -0.764 . . . . 63.530000000000001 112.483 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.12 -178.85 16.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 61.119999999999997 112.519 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 9.0 p -149.53 134.08 9.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.918 0.39 . . . . 74.109999999999999 111.123 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 72.109999999999999 111.112 179.939 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.815 0.341 . . . . 71.150000000000006 110.897 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.69 93.31 9.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 75.439999999999998 111.086 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -55.44 -27.21 46.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 71.329999999999998 110.873 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 1.8 t80 -168.98 118.18 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 73.430000000000007 110.87 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -107.27 106.4 16.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 74.140000000000001 110.899 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -108.2 119.19 38.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 74.209999999999994 110.886 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -128.28 99.44 5.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 71.319999999999993 110.863 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 8' ' ' SER . . . . . 0.459 ' HA ' ' O ' ' D' ' 8' ' ' SER . 79.5 p -150.06 129.88 13.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 74.510000000000005 110.84 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.09 -20.25 48.9 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.742 . . . . 61.5 112.533 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -162.17 111.08 1.45 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.866 0.365 . . . . 72.510000000000005 110.931 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -110.03 120.29 41.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 64.030000000000001 110.895 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 37.6 t -136.89 137.55 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 74.150000000000006 111.082 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 36.9 m170 -130.94 113.58 14.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 72.329999999999998 110.852 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -111.17 132.02 54.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 73.540000000000006 110.839 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.96 137.5 47.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 73.099999999999994 110.925 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 7.6 tttp -123.24 120.04 31.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 75.120000000000005 110.878 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -132.09 101.97 5.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 74.209999999999994 110.937 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -111.14 120.52 61.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 75.129999999999995 111.116 179.877 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . 0.402 ' CD1' ' N ' ' E' ' 19' ' ' PHE . 1.8 m-85 -110.35 133.1 53.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 70.239999999999995 110.898 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 20.6 m-85 55.63 40.2 30.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 75.519999999999996 110.883 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.07 125.11 35.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 74.109999999999999 111.087 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 52.64 73.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 75.329999999999998 110.891 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . 0.409 ' HA ' HG13 ' D' ' 24' ' ' VAL . 9.9 p -117.01 135.93 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 71.239999999999995 111.122 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.5 -43.12 97.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 73.120000000000005 112.495 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.68 128.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 73.510000000000005 110.881 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 85.7 m-20 -99.0 107.81 20.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 61.140000000000001 110.858 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.44 162.94 15.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 74.109999999999999 110.895 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.84 -133.27 27.4 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 63.200000000000003 112.469 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.78 113.78 25.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 74.239999999999995 111.08 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -127.75 119.95 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 74.200000000000003 111.149 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 6.6 mt -124.66 117.48 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 75.129999999999995 111.1 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.02 -49.21 36.87 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.735 -0.745 . . . . 71.010000000000005 112.504 179.914 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.57 ' N ' ' CD1' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -152.95 149.91 28.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 75.439999999999998 110.906 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 7.4 mtp -132.03 121.65 24.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 65.349999999999994 110.855 179.869 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 69.7 t -128.41 110.63 21.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 72.120000000000005 111.131 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.22 30.98 18.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 61.399999999999999 112.477 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.11 -178.33 17.18 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.739 . . . . 75.409999999999997 112.477 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 9.1 p -149.52 135.67 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.37 . . . . 73.209999999999994 111.092 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 19.0 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 71.409999999999997 111.128 179.875 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.81 0.338 . . . . 63.229999999999997 110.896 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.24 86.48 6.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 71.420000000000002 111.12 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -51.83 -36.32 47.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 75.140000000000001 110.911 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -158.52 115.75 2.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 72.430000000000007 110.893 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 5.5 mmt85 -107.77 108.57 19.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.129999999999995 110.901 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -110.87 113.86 26.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 71.409999999999997 110.872 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -127.56 105.68 8.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 72.219999999999999 110.86 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 8' ' ' SER . . . . . 0.444 ' O ' ' HA ' ' G' ' 8' ' ' SER . 79.3 p -144.79 127.69 16.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 75.120000000000005 110.885 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.46 -20.62 24.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.707 -0.759 . . . . 75.5 112.529 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -160.07 111.27 1.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 75.409999999999997 110.926 -179.828 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -108.76 119.08 38.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.503 . . . . 72.430000000000007 110.918 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 39.1 t -138.53 136.66 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 73.409999999999997 111.156 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -132.26 113.16 12.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 72.420000000000002 110.872 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -118.28 125.46 50.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 73.329999999999998 110.845 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.71 134.78 47.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 75.230000000000004 110.944 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -126.55 123.64 38.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 74.030000000000001 110.943 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -122.61 102.74 8.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 72.349999999999994 110.996 179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -110.84 112.33 40.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 72.040000000000006 111.106 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 -102.05 137.46 40.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 75.209999999999994 110.916 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . 0.42 ' CZ ' ' N ' ' F' ' 33' ' ' GLY . 16.1 m-85 61.52 41.08 12.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 72.450000000000003 110.863 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.98 124.05 35.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 74.329999999999998 111.133 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 61.03 75.11 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 72.120000000000005 110.876 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 3.7 p -130.66 141.7 45.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 63.340000000000003 111.125 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.3 -47.49 87.5 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.731 . . . . 74.430000000000007 112.481 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.75 141.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 73.030000000000001 110.847 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 78.9 m-20 -99.78 104.83 16.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 73.319999999999993 110.886 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.49 162.05 16.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 72.430000000000007 110.899 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . 0.553 ' HA2' ' HB3' ' A' ' 3' ' ' GLU . . . 50.26 -134.66 28.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 73.409999999999997 112.479 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.78 112.96 24.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.724 0.297 . . . . 71.219999999999999 111.145 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -126.89 129.48 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.418 . . . . 75.120000000000005 111.154 179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 10.5 mt -135.91 116.2 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 62.149999999999999 111.204 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . 0.42 ' N ' ' CZ ' ' F' ' 20' ' ' PHE . . . -46.63 -55.24 8.24 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 74.530000000000001 112.465 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.6 ' N ' ' CD1' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -160.15 152.91 21.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.835 0.35 . . . . 74.409999999999997 110.894 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 5.5 mtp -131.66 128.2 38.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 71.310000000000002 110.88 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 52.2 t -121.37 115.93 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 72.439999999999998 111.134 179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.6 27.54 34.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 65.230000000000004 112.442 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.53 -177.79 16.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 70.409999999999997 112.451 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 9.9 p -149.14 137.47 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.916 0.389 . . . . 73.209999999999994 111.089 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 19.6 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 75.430000000000007 111.146 179.88 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.823 0.344 . . . . 73.140000000000001 110.833 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.88 84.72 6.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 72.299999999999997 111.11 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 3' ' ' GLU . . . . . 0.413 ' HB2' ' O ' ' H' ' 3' ' ' GLU . 3.1 mm-40 -50.55 -32.27 18.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 60.210000000000001 110.85 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -165.66 115.85 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 72.540000000000006 110.84 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -109.54 108.99 19.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 74.040000000000006 110.855 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -111.53 115.59 29.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 71.140000000000001 110.883 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -127.73 104.77 8.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 64.319999999999993 110.842 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 8' ' ' SER . . . . . 0.478 ' O ' ' HA ' ' H' ' 8' ' ' SER . 79.5 p -146.72 126.06 13.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 74.150000000000006 110.897 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.09 -20.1 26.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 53.329999999999998 112.524 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -161.31 107.85 1.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 74.430000000000007 110.906 -179.807 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -105.61 119.48 39.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 52.240000000000002 110.91 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 41.1 t -137.17 136.39 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 72.340000000000003 111.148 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -132.02 113.42 13.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 71.340000000000003 110.834 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -116.37 128.16 55.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 75.239999999999995 110.864 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.82 134.77 47.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 74.150000000000006 110.912 -179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 8.5 tttp -124.89 125.47 44.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 74.219999999999999 110.89 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -126.73 101.06 6.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 65.140000000000001 110.895 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 1.5 t -109.17 114.23 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 75.150000000000006 111.149 179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 4.3 m-85 -107.29 133.59 51.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 75.239999999999995 110.859 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . 0.411 ' CZ ' ' N ' ' G' ' 33' ' ' GLY . 18.1 m-85 62.38 39.39 12.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 75.519999999999996 110.86 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.47 127.31 36.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 71.310000000000002 111.105 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 56.43 75.72 0.33 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 72.010000000000005 110.859 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . 0.429 HG13 ' HA ' ' H' ' 24' ' ' VAL . 8.4 p -128.73 140.05 50.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 61.399999999999999 111.13 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.87 -46.01 92.91 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 62.109999999999999 112.451 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.82 140.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.909 0.385 . . . . 75.200000000000003 110.886 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 83.0 m-20 -102.1 103.83 14.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 62.25 110.897 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.25 163.98 13.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 73.439999999999998 110.892 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . 0.517 ' HA2' ' HB3' ' B' ' 3' ' ' GLU . . . 49.99 -134.62 27.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.743 . . . . 73.239999999999995 112.482 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.03 113.42 25.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.786 0.326 . . . . 74.420000000000002 111.109 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -125.88 127.73 71.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 61.43 111.181 179.978 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 10.0 mt -134.03 116.72 23.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 73.120000000000005 111.123 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . 0.411 ' N ' ' CZ ' ' G' ' 20' ' ' PHE . . . -48.65 -57.24 8.64 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 53.25 112.471 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.597 ' N ' ' CD1' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -155.3 151.69 28.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 75.049999999999997 110.87 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 5.2 mtp -129.83 123.13 30.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 65.019999999999996 110.882 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 56.7 t -121.1 112.95 37.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 63.219999999999999 111.136 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.19 28.62 34.75 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.743 -0.741 . . . . 64.019999999999996 112.477 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.6 -177.79 16.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 73.549999999999997 112.519 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 7.3 p -149.81 134.84 10.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 75.209999999999994 111.148 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 75.010000000000005 111.143 179.944 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.836 0.351 . . . . 73.239999999999995 110.815 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -81.79 87.31 6.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 72.219999999999999 111.095 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 3' ' ' GLU . . . . . 0.413 ' O ' ' HB2' ' G' ' 3' ' ' GLU . 3.9 mm-40 -49.66 -33.98 17.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 74.209999999999994 110.945 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.95 115.33 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 73.150000000000006 110.844 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -107.68 109.58 21.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 73.209999999999994 110.861 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -111.3 113.58 26.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 72.219999999999999 110.847 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -125.15 103.74 8.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 72.510000000000005 110.868 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 8' ' ' SER . . . . . 0.485 ' O ' ' HA ' ' I' ' 8' ' ' SER . 79.7 p -145.95 125.92 13.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 74.549999999999997 110.851 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.12 -20.24 27.07 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 72.5 112.499 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -162.07 107.65 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 64.239999999999995 110.946 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -105.43 119.71 39.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 62.149999999999999 110.89 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 40.7 t -136.83 136.42 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 72.439999999999998 111.148 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -131.76 113.27 13.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 73.340000000000003 110.886 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -115.16 128.99 56.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 64.25 110.862 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.29 134.58 47.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 74.109999999999999 110.919 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 8.2 tttp -123.5 124.12 42.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.446 . . . . 75.439999999999998 110.911 179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -129.19 101.16 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 74.409999999999997 110.936 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 1.2 t -110.6 115.39 49.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 65.030000000000001 111.091 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 2.9 m-85 -107.9 133.11 52.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 75.25 110.914 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 61.12 39.94 15.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 74.439999999999998 110.867 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.02 128.53 36.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 62.140000000000001 111.091 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 52.8 75.65 0.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 75.030000000000001 110.84 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . 0.429 ' HA ' HG13 ' G' ' 24' ' ' VAL . 9.5 p -125.04 138.77 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 74.530000000000001 111.108 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.09 -44.98 94.46 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.772 -0.728 . . . . 71.530000000000001 112.46 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.28 136.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 74.140000000000001 110.815 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -101.82 103.44 14.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 73.109999999999999 110.869 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.97 164.21 13.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 74.420000000000002 110.858 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . 0.417 ' HA2' ' HB3' ' C' ' 3' ' ' GLU . . . 50.92 -134.97 31.04 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.705 -0.759 . . . . 44.329999999999998 112.474 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.78 113.8 26.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.748 0.309 . . . . 72.530000000000001 111.074 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -127.14 127.39 69.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 73.310000000000002 111.118 179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 7.8 mt -131.83 117.37 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 72.219999999999999 111.162 179.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.57 -57.28 9.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 71.25 112.449 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . 0.609 ' CD1' ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -153.89 149.19 27.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.852 0.358 . . . . 73.230000000000004 110.863 -179.884 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 6.1 mtp -128.42 122.59 31.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 71.109999999999999 110.897 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 60.0 t -122.51 112.12 33.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.267 -0.424 . . . . 73.420000000000002 111.124 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.21 29.99 30.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.742 . . . . 75.319999999999993 112.472 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.33 -177.98 17.03 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.731 . . . . 43.020000000000003 112.5 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 7.5 p -149.64 132.71 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 64.319999999999993 111.153 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 18.2 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 74.310000000000002 111.136 179.889 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.773 0.321 . . . . 64.150000000000006 110.877 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -83.42 92.0 7.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.040000000000006 111.082 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 3' ' ' GLU . . . . . 0.405 ' O ' ' HB2' ' H' ' 3' ' ' GLU . 4.2 mm-40 -49.61 -35.89 22.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 75.340000000000003 110.903 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -169.38 116.27 0.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 71.420000000000002 110.849 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 5.7 mmt85 -105.7 108.78 20.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 74.340000000000003 110.869 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -110.24 113.27 25.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 74.010000000000005 110.801 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -124.95 103.85 8.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 64.25 110.873 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 8' ' ' SER . . . . . 0.485 ' HA ' ' O ' ' H' ' 8' ' ' SER . 79.4 p -146.79 125.75 12.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 71.530000000000001 110.862 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.66 -20.83 26.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.783 -0.722 . . . . 74.430000000000007 112.507 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -162.12 108.47 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 74.129999999999995 110.886 -179.844 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -106.43 120.16 41.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 71.25 110.87 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 41.1 t -137.13 136.28 47.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 71.049999999999997 111.098 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -130.97 113.4 13.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 71.129999999999995 110.859 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -114.07 130.62 56.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 63.229999999999997 110.866 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.57 133.96 45.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 71.200000000000003 110.921 -179.908 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 8.3 tttp -122.0 121.54 37.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 74.319999999999993 110.894 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -130.24 101.06 5.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 73.099999999999994 110.969 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -111.33 116.82 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 74.209999999999994 111.093 179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . 0.408 ' CD1' ' N ' ' I' ' 19' ' ' PHE . 2.1 m-85 -107.96 133.24 52.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 73.530000000000001 110.882 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 18.1 m-85 59.42 39.31 22.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 73.450000000000003 110.894 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.74 128.37 36.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 70.299999999999997 111.091 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 51.62 73.62 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 74.310000000000002 110.863 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . 0.413 ' HA ' HG13 ' H' ' 24' ' ' VAL . 8.7 p -119.89 135.92 58.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 73.340000000000003 111.118 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.76 -43.69 91.85 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.749 -0.738 . . . . 74.400000000000006 112.472 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.99 132.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 72.219999999999999 110.849 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -101.39 102.41 13.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 73.200000000000003 110.916 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.63 164.73 12.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.409999999999997 110.877 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.71 -135.58 33.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 74.239999999999995 112.505 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.75 114.64 27.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.756 0.312 . . . . 64.549999999999997 111.145 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -129.32 128.2 66.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 74.120000000000005 111.124 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 7.2 mt -130.42 117.41 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 71.420000000000002 111.111 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.77 -57.72 9.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 74.430000000000007 112.494 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . 0.615 ' N ' ' CD1' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -152.58 146.3 25.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 72.099999999999994 110.936 -179.897 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 6.3 mtp -128.62 122.5 31.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 75.329999999999998 110.835 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 57.6 t -125.05 112.89 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 70.200000000000003 111.123 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.36 29.71 31.19 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.701 -0.761 . . . . 60.43 112.513 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.41 -177.6 16.95 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.716 -0.754 . . . . 73.329999999999998 112.467 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 8.6 p -149.69 134.84 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.376 . . . . 74.349999999999994 111.18 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 18.0 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 72.099999999999994 111.11 179.945 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.842 0.353 . . . . 74.329999999999998 110.868 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.08 93.64 7.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 71.439999999999998 111.08 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -49.5 -40.4 37.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 71.340000000000003 110.859 -179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -165.91 119.68 1.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 74.319999999999993 110.903 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -100.53 108.07 19.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 73.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -110.78 111.14 22.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 75.420000000000002 110.887 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -123.15 103.29 8.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 73.319999999999993 110.841 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 8' ' ' SER . . . . . 0.476 ' HA ' ' O ' ' I' ' 8' ' ' SER . 79.5 p -148.73 127.17 12.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 73.239999999999995 110.84 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.56 -20.18 37.37 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.739 . . . . 72.409999999999997 112.469 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -162.9 108.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 73.409999999999997 110.925 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -107.58 119.89 40.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 72.409999999999997 110.941 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 38.6 t -137.32 136.71 46.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 63.219999999999999 111.082 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -129.97 113.43 14.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 74.5 110.834 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -112.71 131.31 55.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 72.200000000000003 110.842 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.51 137.52 47.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 70.200000000000003 110.893 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 7.7 tttp -123.29 119.82 31.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 75.099999999999994 110.901 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -131.62 100.46 5.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 72.140000000000001 110.875 179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -110.37 121.44 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 74.420000000000002 111.121 179.811 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 1.7 m-85 -111.3 132.26 54.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 75.400000000000006 110.909 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 57.53 38.08 27.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 74.420000000000002 110.859 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.75 129.86 36.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 73.120000000000005 111.136 179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 50.82 74.52 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 62.229999999999997 110.901 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . 0.407 ' HA ' HG13 ' I' ' 24' ' ' VAL . 7.7 p -119.11 135.03 60.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 75.109999999999999 111.076 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.52 -41.63 97.29 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 74.200000000000003 112.513 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.59 127.13 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.864 0.364 . . . . 74.439999999999998 110.867 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 76.0 m-20 -101.38 99.93 10.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 74.439999999999998 110.882 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.87 168.84 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 74.200000000000003 110.903 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.19 -135.66 35.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 60.420000000000002 112.436 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -94.12 114.1 26.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.764 0.316 . . . . 72.099999999999994 111.09 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -128.26 127.37 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 73.450000000000003 111.078 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 7.3 mt -126.18 115.2 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 74.400000000000006 111.099 179.881 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.49 -55.61 12.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.688 -0.768 . . . . 74.230000000000004 112.542 179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . 0.563 ' N ' ' CD1' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -152.85 149.25 28.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 74.049999999999997 110.888 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 7.4 mtp -132.29 121.49 23.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 75.340000000000003 110.849 179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 57.8 t -128.92 110.99 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 72.450000000000003 111.13 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.62 29.39 24.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.731 . . . . 62.130000000000003 112.452 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.98 -177.0 17.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.772 -0.728 . . . . 51.020000000000003 112.451 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 9.2 p -149.01 136.33 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 74.040000000000006 111.119 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 18.5 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 72.329999999999998 111.128 179.906 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.791 0.329 . . . . 74.409999999999997 110.869 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.41 72.33 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 75.010000000000005 111.071 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -52.0 -32.14 32.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 75.5 110.824 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -158.59 113.0 2.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.420000000000002 110.891 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.42 107.28 6.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 75.109999999999999 110.925 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -108.02 123.93 49.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 75.430000000000007 110.841 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -126.16 100.47 6.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 73.299999999999997 110.902 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.2 t -149.33 176.36 10.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 60.140000000000001 110.876 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.4 -12.24 29.36 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.729 -0.748 . . . . 72.150000000000006 112.464 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.38 113.04 0.28 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.851 0.358 . . . . 72.319999999999993 110.939 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -106.49 124.82 50.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 73.340000000000003 110.883 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -136.78 113.94 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 75.0 111.116 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -121.82 117.08 25.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 74.0 110.887 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -126.25 129.91 49.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 64.409999999999997 110.815 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -132.36 135.14 45.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 72.099999999999994 110.912 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -124.38 125.76 44.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 73.310000000000002 110.855 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -120.59 101.73 7.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 73.340000000000003 110.906 179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -112.46 115.61 50.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 72.349999999999994 111.098 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 5.0 m-85 -103.91 142.13 34.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 73.349999999999994 110.915 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 24.2 m-85 62.97 33.84 14.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 75.140000000000001 110.942 -179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.47 134.24 34.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 64.510000000000005 111.121 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 61.83 76.7 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 73.120000000000005 110.877 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.2 p -146.1 145.02 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 74.120000000000005 111.115 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.19 -46.24 94.89 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 73.329999999999998 112.503 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.5 152.18 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 73.010000000000005 110.905 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.79 99.73 9.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 74.450000000000003 110.928 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.93 151.68 38.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 65.450000000000003 110.936 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.55 -125.55 26.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.808 -0.71 . . . . 74.120000000000005 112.474 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.81 113.75 27.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.756 0.312 . . . . 74.329999999999998 111.139 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.67 125.75 53.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 75.099999999999994 111.145 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.0 mt -130.91 119.96 46.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 74.219999999999999 111.126 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.99 -57.12 15.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.751 . . . . 73.349999999999994 112.475 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.601 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -156.29 149.37 24.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 74.349999999999994 110.913 -179.895 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.93 129.4 49.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 71.439999999999998 110.86 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 11.0 t -118.43 110.17 29.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 73.409999999999997 111.084 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.65 -55.07 4.69 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 45.329999999999998 112.491 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.55 162.21 54.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.776 -0.726 . . . . 53.200000000000003 112.473 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 7.6 p -156.51 143.69 10.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.842 0.353 . . . . 74.319999999999993 111.1 -179.973 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.6 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 75.409999999999997 111.135 179.901 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 . . . . . 0 C--O 1.23 0.029 0 CA-C-O 120.825 0.345 . . . . 74.540000000000006 110.895 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.83 72.67 0.8 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 63.340000000000003 111.078 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -49.79 -30.52 9.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 71.140000000000001 110.891 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -158.45 111.91 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 74.010000000000005 110.924 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.97 106.88 7.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 75.420000000000002 110.902 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -108.18 124.36 50.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 74.319999999999993 110.858 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -128.94 99.83 5.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 65.140000000000001 110.909 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 16.2 t -147.34 175.88 10.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 70.25 110.876 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.21 -12.48 31.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 63.229999999999997 112.459 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.65 111.77 0.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.87 0.366 . . . . 74.420000000000002 110.943 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -104.92 124.17 49.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.501 . . . . 74.129999999999995 110.907 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 t -134.47 114.07 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 72.450000000000003 111.17 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 59.2 m170 -120.97 119.59 32.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 64.019999999999996 110.868 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -125.82 132.79 52.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 73.5 110.842 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -130.84 133.03 45.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 75.319999999999993 110.911 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 5.5 tttp -122.78 126.49 47.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 74.530000000000001 110.918 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -127.83 100.57 5.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 74.239999999999995 110.865 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 t -112.64 118.83 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 73.239999999999995 111.141 179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -108.96 138.01 45.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 75.549999999999997 110.897 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 27.8 m-85 63.85 30.58 14.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 75.5 110.898 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.66 133.32 34.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 71.310000000000002 111.073 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.97 76.41 0.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 71.400000000000006 110.813 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 11.5 p -145.82 143.85 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 75.230000000000004 111.095 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.5 -45.5 95.45 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.783 -0.722 . . . . 75.140000000000001 112.496 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.82 151.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.367 . . . . 73.349999999999994 110.855 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.79 100.21 9.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 75.25 110.86 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.77 151.73 38.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 74.120000000000005 110.909 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.22 -125.38 24.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 55.549999999999997 112.455 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.94 113.12 26.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.742 0.305 . . . . 73.340000000000003 111.099 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.26 123.47 50.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 71.140000000000001 111.13 179.966 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 mt -129.74 119.96 48.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 72.430000000000007 111.138 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.03 -59.11 9.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 54.340000000000003 112.491 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.599 ' N ' ' CD1' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -153.06 147.52 25.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 74.310000000000002 110.955 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.03 123.22 36.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 63.130000000000003 110.856 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 6.7 t -117.9 111.66 35.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 75.019999999999996 111.091 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.4 -58.94 4.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.788 -0.72 . . . . 72.219999999999999 112.486 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.7 157.23 45.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 74.040000000000006 112.523 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 8.5 p -158.09 144.99 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.383 . . . . 75.25 111.138 -179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 13.2 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 73.140000000000001 111.113 179.939 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.853 0.359 . . . . 75.299999999999997 110.837 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.64 72.32 0.78 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 64.549999999999997 111.129 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -50.31 -30.66 12.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 62.450000000000003 110.871 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -158.42 112.21 2.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 73.239999999999995 110.837 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.93 106.98 8.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 74.409999999999997 110.882 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -109.11 122.97 48.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 63.119999999999997 110.872 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -128.71 100.13 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 74.299999999999997 110.9 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 16.4 t -147.41 175.62 10.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 60.399999999999999 110.836 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.52 -12.07 31.67 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.764 -0.731 . . . . 73.349999999999994 112.524 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.58 111.4 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 74.420000000000002 110.937 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -105.47 123.81 48.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 75.310000000000002 110.867 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 t -133.19 113.91 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 73.340000000000003 111.108 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 58.6 m170 -120.85 118.03 28.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 74.140000000000001 110.872 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -124.27 134.04 53.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 74.5 110.852 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -130.21 132.97 46.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 73.549999999999997 110.906 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -121.57 125.16 46.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 75.150000000000006 110.945 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -130.51 100.47 5.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 73.329999999999998 110.885 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 1.4 t -113.8 119.76 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.219999999999999 111.088 179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . 0.44 ' CD1' ' N ' ' C' ' 19' ' ' PHE . 1.4 m-85 -109.97 137.17 48.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 74.340000000000003 110.904 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 25.2 m-85 63.16 29.96 16.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 74.510000000000005 110.887 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.94 135.27 33.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 75.200000000000003 111.057 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 58.54 77.04 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 73.439999999999998 110.895 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 11.8 p -144.93 143.18 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 73.519999999999996 111.141 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.9 -45.59 94.85 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.737 . . . . 63.039999999999999 112.509 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.96 150.21 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.907 0.384 . . . . 63.43 110.826 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.43 99.94 9.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 71.430000000000007 110.885 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.4 152.25 37.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 74.340000000000003 110.889 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.45 -125.68 23.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 75.310000000000002 112.494 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.41 113.12 26.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.694 0.283 . . . . 72.450000000000003 111.114 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.3 123.32 50.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 71.530000000000001 111.155 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 mt -129.09 119.67 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 75.530000000000001 111.115 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.9 -59.55 8.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 75.329999999999998 112.518 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.617 ' CD1' ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -152.61 146.17 24.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.821 0.343 . . . . 75.310000000000002 110.876 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.74 122.36 32.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 60.229999999999997 110.924 179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 5.7 t -118.93 110.43 29.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 72.150000000000006 111.14 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.84 -58.26 3.88 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 70.430000000000007 112.509 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.24 158.61 46.07 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.742 . . . . 64.400000000000006 112.535 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 7.7 p -163.36 149.33 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 74.420000000000002 111.097 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 9.7 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 75.25 111.113 179.936 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.848 0.356 . . . . 75.200000000000003 110.904 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.48 72.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 75.230000000000004 111.061 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -51.02 -30.12 14.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 73.420000000000002 110.915 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -158.9 112.28 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 75.299999999999997 110.866 -179.901 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.48 107.37 9.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 74.219999999999999 110.914 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -109.21 121.29 44.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 75.129999999999995 110.882 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -127.92 100.25 5.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 74.409999999999997 110.892 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 15.9 t -147.5 175.3 10.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 52.25 110.844 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.09 -11.51 31.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.742 . . . . 60.210000000000001 112.507 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.32 111.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.852 0.358 . . . . 74.519999999999996 110.928 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -105.39 124.69 49.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 74.450000000000003 110.841 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.87 114.12 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 71.340000000000003 111.089 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -121.65 118.0 28.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 75.239999999999995 110.851 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -124.84 135.41 52.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 72.510000000000005 110.854 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -130.42 133.04 46.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 75.129999999999995 110.845 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -120.72 121.71 38.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 75.140000000000001 110.896 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -131.0 99.81 5.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 72.140000000000001 110.921 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -113.67 121.67 66.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.219999999999999 111.147 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 0.451 ' N ' ' CD1' ' D' ' 19' ' ' PHE . 1.0 OUTLIER -111.64 137.73 49.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 71.120000000000005 110.87 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 61.45 28.52 17.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 71.0 110.897 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.63 136.83 32.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 63.340000000000003 111.076 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 56.56 78.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.430000000000007 110.908 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 11.4 p -145.6 141.74 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 72.540000000000006 111.08 -179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.09 -44.62 94.63 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 64.019999999999996 112.485 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.6 148.46 0.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.898 0.38 . . . . 53.219999999999999 110.858 -179.75 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -104.22 99.43 9.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 74.409999999999997 110.875 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.28 153.12 36.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 72.230000000000004 110.918 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.23 -126.53 22.92 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.67 -0.776 . . . . 73.200000000000003 112.501 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.65 112.83 25.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.765 0.317 . . . . 72.319999999999993 111.135 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -133.97 123.29 44.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 72.420000000000002 111.12 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 6.6 mt -128.11 119.77 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 71.200000000000003 111.146 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.0 -61.46 6.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 64.040000000000006 112.483 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.633 ' N ' ' CD1' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -151.31 144.22 24.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.778 0.323 . . . . 75.519999999999996 110.948 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.94 123.37 32.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 75.200000000000003 110.839 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 6.7 t -121.78 109.14 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 74.340000000000003 111.143 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.9 -59.16 3.49 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 72.329999999999998 112.461 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.55 159.59 48.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 70.530000000000001 112.492 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 8.7 p -165.86 153.62 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.37 . . . . 74.430000000000007 111.099 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 9.0 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 75.040000000000006 111.167 179.886 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.815 0.341 . . . . 74.120000000000005 110.849 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.65 72.35 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 62.420000000000002 111.146 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -51.32 -29.75 16.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 52.219999999999999 110.864 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -158.81 114.34 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 75.040000000000006 110.898 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.17 107.52 9.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 72.400000000000006 110.848 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -109.36 120.54 42.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 74.519999999999996 110.863 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -128.44 99.95 5.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 74.430000000000007 110.816 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 16.3 t -148.49 172.71 14.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 73.099999999999994 110.823 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.09 -11.77 35.92 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 75.219999999999999 112.481 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.38 110.43 0.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.87 0.367 . . . . 75.329999999999998 110.931 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -105.24 125.95 51.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 52.130000000000003 110.917 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.33 118.04 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 75.099999999999994 111.08 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -120.39 118.85 31.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 74.510000000000005 110.882 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -122.46 135.71 54.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 72.439999999999998 110.868 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -133.69 134.61 43.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 74.310000000000002 110.906 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 4.7 tttp -122.77 120.5 33.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 75.109999999999999 110.887 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -133.09 99.88 4.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 62.030000000000001 110.885 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -112.96 124.3 69.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 70.209999999999994 111.07 179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . 0.427 ' CD1' ' N ' ' E' ' 19' ' ' PHE . 0.8 OUTLIER -114.92 136.5 53.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 72.040000000000006 110.884 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 21.7 m-85 58.88 28.21 17.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 63.530000000000001 110.862 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.17 138.77 31.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 72.5 111.058 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 55.33 78.4 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 75.150000000000006 110.842 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 11.4 p -145.82 139.63 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 73.129999999999995 111.115 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.9 -43.9 92.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.754 . . . . 74.120000000000005 112.505 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.89 145.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.88 0.371 . . . . 74.329999999999998 110.887 -179.744 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.68 99.04 8.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 74.109999999999999 110.872 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -121.44 154.05 37.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 74.5 110.898 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.79 -127.51 22.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.714 -0.755 . . . . 61.409999999999997 112.509 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.0 112.63 25.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.758 0.313 . . . . 74.010000000000005 111.067 -179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -135.32 124.14 40.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 75.439999999999998 111.144 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 7.7 mt -126.57 120.02 55.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 72.439999999999998 111.143 179.832 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.26 -59.39 8.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 41.43 112.518 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.6 ' N ' ' CD1' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -151.67 146.45 25.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.342 . . . . 74.319999999999993 110.901 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -137.12 122.7 19.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 75.540000000000006 110.846 179.861 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 16.1 t -125.68 108.27 19.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 74.049999999999997 111.164 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.84 -59.24 3.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 75.340000000000003 112.489 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.71 160.24 46.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 73.099999999999994 112.462 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 12.6 p -165.82 151.96 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.342 . . . . 71.519999999999996 111.149 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 75.519999999999996 111.1 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.813 0.339 . . . . 62.210000000000001 110.841 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.64 72.91 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.409999999999997 111.108 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -51.85 -32.3 31.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 74.219999999999999 110.919 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -157.74 114.12 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 74.349999999999994 110.837 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.6 107.52 6.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 74.510000000000005 110.878 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -107.35 123.13 47.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 72.319999999999993 110.872 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -124.63 100.97 6.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 62.420000000000002 110.872 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 16.8 t -150.16 176.33 10.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 74.140000000000001 110.854 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.61 -12.22 27.01 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.754 -0.736 . . . . 73.140000000000001 112.481 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.43 111.8 0.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.88 0.371 . . . . 73.540000000000006 110.89 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -106.07 123.8 48.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.502 . . . . 63.340000000000003 110.902 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -137.89 112.9 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 75.010000000000005 111.117 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 64.9 m170 -121.72 120.36 34.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 73.450000000000003 110.84 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -126.2 129.35 48.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 63.310000000000002 110.861 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -130.59 134.56 47.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 73.319999999999993 110.903 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -124.38 124.97 43.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 74.120000000000005 110.885 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -119.8 101.61 8.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.433 . . . . 74.439999999999998 110.935 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 2.1 t -112.42 115.49 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 74.409999999999997 111.112 179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 5.1 m-85 -103.12 142.13 34.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 73.040000000000006 110.897 -179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . 0.403 ' CZ ' ' N ' ' F' ' 33' ' ' GLY . 23.9 m-85 63.09 33.73 14.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 74.420000000000002 110.909 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.33 135.11 33.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 73.409999999999997 111.066 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 62.05 76.34 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 74.209999999999994 110.913 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 11.6 p -146.43 144.23 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 72.510000000000005 111.138 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.82 -45.96 95.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 74.329999999999998 112.49 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.17 151.28 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.368 . . . . 73.450000000000003 110.911 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.46 99.2 9.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 72.420000000000002 110.914 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -120.12 151.51 38.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 74.219999999999999 110.863 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.35 -126.77 25.82 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.75 -0.738 . . . . 71.439999999999998 112.542 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.54 114.04 27.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.767 0.318 . . . . 64.439999999999998 111.09 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.48 126.36 55.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 73.200000000000003 111.157 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 mt -130.3 119.34 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 71.329999999999998 111.128 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . 0.403 ' N ' ' CZ ' ' F' ' 20' ' ' PHE . . . -52.8 -58.33 11.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 75.409999999999997 112.496 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.612 ' N ' ' CD1' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -155.81 149.22 24.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.841 0.353 . . . . 75.349999999999994 110.902 -179.883 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -125.36 128.16 47.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 73.310000000000002 110.893 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 15.5 t -117.94 110.36 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 72.519999999999996 111.158 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.67 -55.73 4.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 54.219999999999999 112.542 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.39 157.69 49.83 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.713 -0.756 . . . . 72.510000000000005 112.525 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 11.1 p -156.8 141.78 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.35 . . . . 71.230000000000004 111.115 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 11.0 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 75.25 111.074 179.935 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.826 0.345 . . . . 74.540000000000006 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.33 73.2 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 73.230000000000004 111.133 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -50.64 -30.79 14.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 75.25 110.859 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -157.67 112.7 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 64.25 110.924 -179.926 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.92 106.85 7.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 74.209999999999994 110.864 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -107.77 122.95 47.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 70.109999999999999 110.811 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -127.26 99.96 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 73.140000000000001 110.874 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 16.6 t -147.92 176.08 10.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 74.510000000000005 110.852 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.6 -13.16 28.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 52.329999999999998 112.492 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.9 111.29 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.373 . . . . 75.239999999999995 110.9 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -105.18 124.19 49.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 74.239999999999995 110.89 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -135.28 113.43 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 64.310000000000002 111.118 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 65.5 m170 -120.24 120.27 35.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 74.329999999999998 110.876 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -123.78 132.88 53.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 74.099999999999994 110.882 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -129.94 132.82 46.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 60.409999999999997 110.906 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -123.28 126.3 46.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 74.5 110.937 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -127.94 100.55 5.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 70.329999999999998 110.924 179.941 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 1.9 t -112.73 118.87 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 74.239999999999995 111.102 179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 -108.73 137.82 46.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 74.329999999999998 110.935 179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 27.5 m-85 64.02 30.87 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 74.439999999999998 110.891 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -88.81 134.34 33.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 64.200000000000003 111.103 179.93 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.75 76.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 62.310000000000002 110.884 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 11.3 p -146.08 143.44 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 73.439999999999998 111.131 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.9 -45.12 96.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.744 . . . . 73.129999999999995 112.473 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.21 151.38 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.913 0.387 . . . . 75.239999999999995 110.851 -179.699 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.97 99.76 9.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 73.129999999999995 110.869 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -119.84 152.42 37.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 73.549999999999997 110.914 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.43 -125.87 24.29 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.783 -0.723 . . . . 72.129999999999995 112.445 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.11 113.19 26.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.779 0.323 . . . . 73.010000000000005 111.123 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -131.88 123.47 51.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 73.519999999999996 111.137 179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 mt -129.46 119.42 48.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 72.099999999999994 111.1 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.82 -60.31 7.63 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 45.329999999999998 112.485 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.605 ' N ' ' CD1' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -152.22 147.93 26.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.76 0.314 . . . . 75.329999999999998 110.955 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -126.95 122.2 33.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 74.209999999999994 110.886 179.849 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 14.0 t -117.94 111.68 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 70.510000000000005 111.107 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.1 -57.1 4.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 75.540000000000006 112.487 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.52 154.59 38.48 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 72.450000000000003 112.442 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 9.2 p -157.81 144.39 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 75.040000000000006 111.083 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 8.9 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 75.209999999999994 111.13 179.895 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.832 0.349 . . . . 72.439999999999998 110.878 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.44 73.37 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 74.200000000000003 111.071 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -50.27 -31.09 13.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 73.209999999999994 110.905 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -158.0 112.58 2.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 72.209999999999994 110.912 -179.905 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.52 107.01 8.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 74.299999999999997 110.881 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -108.84 121.78 45.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 72.329999999999998 110.864 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -128.17 99.89 5.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 74.200000000000003 110.901 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 16.4 t -147.01 175.62 10.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 65.439999999999998 110.883 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.86 -12.66 31.58 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.754 -0.736 . . . . 61.420000000000002 112.484 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.75 111.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 74.299999999999997 110.962 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -105.55 124.0 48.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 73.540000000000006 110.898 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 t -134.49 113.51 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 74.319999999999993 111.134 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -120.51 118.71 30.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 75.239999999999995 110.864 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -122.81 135.6 54.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 74.129999999999995 110.897 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -130.82 132.52 45.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 72.140000000000001 110.933 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 5.6 tttp -121.7 124.18 43.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 75.219999999999999 110.901 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 4.6 mm? -130.13 100.41 5.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 72.439999999999998 110.919 179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 1.4 t -114.07 119.49 61.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 74.019999999999996 111.073 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . 0.42 ' CD1' ' N ' ' H' ' 19' ' ' PHE . 1.4 m-85 -109.37 137.03 47.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 73.319999999999993 110.89 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 25.4 m-85 63.22 30.31 15.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 72.510000000000005 110.879 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.06 135.36 33.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 72.25 111.102 179.918 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 58.78 77.68 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 74.230000000000004 110.904 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 11.6 p -145.81 143.25 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 75.239999999999995 111.107 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.33 -45.48 95.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.749 . . . . 71.129999999999995 112.454 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.45 149.9 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 64.239999999999995 110.864 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.52 99.43 9.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 75.530000000000001 110.958 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -119.53 152.22 37.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 74.030000000000001 110.882 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.15 -126.3 22.82 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.725 -0.75 . . . . 72.109999999999999 112.492 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.18 112.97 26.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.741 0.305 . . . . 55.420000000000002 111.098 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -132.22 123.62 50.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 73.219999999999999 111.109 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 mt -129.27 119.43 48.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 73.430000000000007 111.17 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.93 -60.12 7.92 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 73.040000000000006 112.502 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . 0.617 ' CD1' ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -152.0 146.06 25.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 75.540000000000006 110.874 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -127.43 122.51 33.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 72.219999999999999 110.845 179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 12.1 t -119.45 111.12 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 62.310000000000002 111.124 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.48 -58.55 3.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.736 . . . . 65.420000000000002 112.475 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.26 157.86 45.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 73.319999999999993 112.5 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 7.7 p -162.38 147.46 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 71.25 111.066 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 10.2 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 75.200000000000003 111.128 179.884 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.792 0.329 . . . . 73.129999999999995 110.852 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.44 72.71 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 74.150000000000006 111.045 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -51.34 -30.51 18.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 73.319999999999993 110.84 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -158.74 112.8 2.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 75.5 110.902 -179.927 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.02 107.56 9.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 74.230000000000004 110.875 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -108.91 120.57 42.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 74.409999999999997 110.84 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -128.31 100.09 5.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 74.329999999999998 110.885 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 16.6 t -147.17 175.14 10.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 74.329999999999998 110.885 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.45 -11.87 32.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 74.310000000000002 112.5 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.55 111.05 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.803 0.335 . . . . 72.230000000000004 110.938 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -104.86 125.24 50.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 74.519999999999996 110.861 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 22.0 t -134.65 114.26 17.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 74.239999999999995 111.105 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 58.5 m170 -121.47 118.64 29.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 73.510000000000005 110.854 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -123.94 135.71 53.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 73.319999999999993 110.872 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -130.61 132.81 45.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 72.439999999999998 110.972 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 5.4 tttp -120.86 121.64 38.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 73.549999999999997 110.931 179.981 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -131.27 99.66 4.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.438 . . . . 75.299999999999997 110.893 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 0.7 OUTLIER -113.75 122.05 67.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 75.310000000000002 111.133 179.837 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . 0.43 ' N ' ' CD1' ' I' ' 19' ' ' PHE . 1.0 OUTLIER -111.43 137.81 48.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 74.530000000000001 110.863 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 21.0 m-85 61.26 28.64 18.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 64.120000000000005 110.923 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.5 136.54 32.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 62.219999999999999 111.134 179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 57.14 77.88 0.25 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 75.409999999999997 110.887 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 11.2 p -145.48 142.2 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 62.140000000000001 111.09 -179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.85 -44.62 95.87 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.752 -0.737 . . . . 72.349999999999994 112.481 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.42 148.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.38 . . . . 75.219999999999999 110.859 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -104.35 99.21 8.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 72.409999999999997 110.94 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -120.43 152.28 38.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 73.030000000000001 110.909 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 69.45 -126.55 19.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 75.319999999999993 112.508 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.61 112.72 25.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.778 0.323 . . . . 65.200000000000003 111.107 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -134.51 124.11 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 73.209999999999994 111.125 179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 6.8 mt -128.86 120.27 51.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 70.310000000000002 111.13 179.842 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.3 -61.92 5.86 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 74.319999999999993 112.449 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . 0.628 ' N ' ' CD1' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -150.92 144.15 24.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.803 0.335 . . . . 72.420000000000002 110.922 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -128.35 123.38 33.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 72.129999999999995 110.869 179.829 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 11.9 t -122.7 109.73 24.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 74.439999999999998 111.118 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.44 -59.34 3.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 71.010000000000005 112.462 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.44 159.68 46.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 71.439999999999998 112.46 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 8.1 p -165.56 153.17 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 71.040000000000006 111.156 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 9.0 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 73.450000000000003 111.171 179.899 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.843 0.354 . . . . 74.340000000000003 110.858 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.46 73.57 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 61.149999999999999 111.136 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -50.84 -30.74 15.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 65.519999999999996 110.879 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -159.15 114.67 2.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 72.510000000000005 110.915 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.45 107.8 9.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 74.519999999999996 110.88 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -108.9 119.72 40.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 75.450000000000003 110.859 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -128.72 100.03 5.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 71.450000000000003 110.87 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 16.4 t -148.23 172.2 14.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 70.129999999999995 110.861 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.44 -11.65 37.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 71.340000000000003 112.487 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.47 109.68 0.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.36 . . . . 65.209999999999994 110.917 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -104.65 124.91 50.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 73.099999999999994 110.876 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 22.0 t -133.07 116.54 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 71.299999999999997 111.115 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -120.32 118.59 30.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 72.219999999999999 110.869 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -122.19 136.11 54.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 75.340000000000003 110.838 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -132.35 135.34 46.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 65.109999999999999 110.9 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -122.56 120.14 32.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 70.349999999999994 110.941 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -133.13 99.74 4.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 73.120000000000005 110.908 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -113.14 124.24 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 55.43 111.123 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' J' ' 19' ' ' PHE . 0.8 OUTLIER -114.34 136.43 52.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 65.0 110.863 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 22.0 m-85 59.03 28.31 17.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 74.439999999999998 110.901 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.56 139.05 31.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 73.239999999999995 111.099 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 54.82 78.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 70.019999999999996 110.842 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 11.2 p -145.63 139.82 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 75.219999999999999 111.069 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.32 -44.3 93.48 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.719 -0.753 . . . . 63.439999999999998 112.488 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.79 145.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.371 . . . . 73.140000000000001 110.845 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.33 98.77 8.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 75.219999999999999 110.889 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -121.34 153.08 38.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 74.140000000000001 110.907 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.07 -127.57 18.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.76 -0.733 . . . . 71.150000000000006 112.514 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.04 112.52 25.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.319 . . . . 71.209999999999994 111.069 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.5 OUTLIER -135.82 125.45 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 75.420000000000002 111.084 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 mt -127.32 120.29 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 74.329999999999998 111.149 179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.58 -60.04 8.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.751 . . . . 71.400000000000006 112.514 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . 0.6 ' N ' ' CD1' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -150.88 146.36 26.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.806 0.336 . . . . 74.349999999999994 110.924 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -136.74 122.79 20.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.140000000000001 110.892 179.802 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 18.8 t -126.69 108.65 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 71.409999999999997 111.145 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.79 -58.9 3.46 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 62.210000000000001 112.452 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.64 160.67 45.55 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 71.450000000000003 112.496 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 11.2 p -166.71 153.36 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.873 0.368 . . . . 74.450000000000003 111.132 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 75.030000000000001 111.144 179.916 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.825 0.345 . . . . 74.010000000000005 110.891 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.18 89.38 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 72.099999999999994 111.101 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.55 -38.47 84.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 74.310000000000002 110.904 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -142.17 112.37 7.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 71.430000000000007 110.904 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -135.73 107.63 7.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 72.129999999999995 110.867 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -107.39 119.71 40.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 73.549999999999997 110.866 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -116.46 100.96 8.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 71.310000000000002 110.885 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.8 m -154.07 177.34 11.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.409999999999997 110.836 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.96 -32.9 5.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 70.409999999999997 112.531 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -144.43 128.73 17.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 73.299999999999997 110.941 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -111.8 117.76 33.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 73.439999999999998 110.87 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.2 t -131.91 113.8 23.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 74.200000000000003 111.117 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -115.13 113.31 23.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 74.319999999999993 110.876 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -124.71 121.4 34.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 75.040000000000006 110.892 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.11 132.94 56.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 74.430000000000007 110.9 -179.939 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -132.11 116.12 16.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 75.219999999999999 110.91 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -123.05 109.02 13.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 73.420000000000002 110.907 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.9 t -108.61 112.66 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 73.400000000000006 111.108 179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . . . . . . . . . 9.2 m-85 -111.0 106.44 15.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 72.409999999999997 110.9 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.4 ' CD1' ' HA2' ' A' ' 33' ' ' GLY . 8.7 m-85 62.01 80.26 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 74.409999999999997 110.9 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.43 135.36 53.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 72.010000000000005 111.138 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 54.62 73.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 75.439999999999998 110.866 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.1 p -112.26 144.41 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 74.540000000000006 111.146 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.67 -49.06 45.89 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.704 -0.76 . . . . 53.240000000000002 112.468 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -160.98 133.07 5.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.373 . . . . 74.420000000000002 110.83 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -102.82 101.51 11.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 73.430000000000007 110.877 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -113.91 166.7 11.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 55.130000000000003 110.932 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.11 -130.62 47.52 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.695 -0.764 . . . . 62.409999999999997 112.504 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.91 111.66 23.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.342 . . . . 74.129999999999995 111.09 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . 0.453 HG13 HG22 ' B' ' 31' ' ' ILE . 0.0 OUTLIER -122.29 115.18 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 75.239999999999995 111.146 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -130.99 122.61 52.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 75.140000000000001 111.118 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . 0.4 ' HA2' ' CD1' ' A' ' 20' ' ' PHE . . . -52.41 -49.99 49.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 54.119999999999997 112.514 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.602 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -165.42 148.86 8.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 75.140000000000001 110.913 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.8 ttp -132.2 123.85 27.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.409999999999997 110.903 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 91.3 t -143.71 110.93 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 61.119999999999997 111.13 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.54 -10.94 67.6 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 35.420000000000002 112.47 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.59 159.94 13.48 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 75.510000000000005 112.434 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 92.2 t -131.81 142.45 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.859 0.362 . . . . 75.219999999999999 111.102 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 23.2 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 74.109999999999999 111.123 179.928 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.857 0.361 . . . . 72.420000000000002 110.883 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.63 89.37 2.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 75.400000000000006 111.089 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.15 -37.74 81.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 73.010000000000005 110.92 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 9.7 m-85 -143.35 111.11 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 74.349999999999994 110.831 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -131.57 107.7 9.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 73.099999999999994 110.873 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -110.6 118.35 35.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 75.340000000000003 110.85 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -115.65 101.33 8.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 73.129999999999995 110.9 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 25.4 m -152.26 176.82 11.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 72.420000000000002 110.858 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.49 -32.91 5.83 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.791 -0.719 . . . . 75.129999999999995 112.49 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -144.56 128.14 17.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.815 0.34 . . . . 71.450000000000003 110.922 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -109.05 117.45 34.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 62.409999999999997 110.918 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.4 t -128.91 113.78 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 64.129999999999995 111.1 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -116.72 113.07 22.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 63.009999999999998 110.851 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -123.83 123.48 40.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 74.329999999999998 110.847 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.57 132.55 56.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 73.349999999999994 110.907 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -127.94 116.32 19.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 74.019999999999996 110.886 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -124.32 105.08 9.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 74.150000000000006 110.876 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 94.4 t -107.8 112.06 38.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 72.329999999999998 111.11 179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -111.3 104.0 12.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 73.420000000000002 110.851 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 61.44 79.89 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 74.299999999999997 110.862 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.5 133.39 53.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 64.310000000000002 111.104 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 56.35 73.68 0.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 75.409999999999997 110.887 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 p -111.42 143.78 20.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 74.540000000000006 111.1 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.03 -47.13 39.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 45.219999999999999 112.48 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -160.97 131.74 5.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 74.420000000000002 110.877 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -102.22 100.38 10.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 65.299999999999997 110.91 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -114.1 169.53 8.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 70.200000000000003 110.867 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.87 -129.05 38.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 74.450000000000003 112.479 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.16 112.29 24.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.766 0.317 . . . . 70.129999999999995 111.097 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.541 HG12 ' HA ' ' C' ' 31' ' ' ILE . 0.0 OUTLIER -118.76 113.83 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 70.430000000000007 111.134 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -130.63 122.07 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 64.319999999999993 111.108 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.98 -46.38 93.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 61.509999999999998 112.507 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.608 ' N ' ' CD1' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -163.98 147.36 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 72.0 110.874 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 3.6 ttp -132.75 123.08 25.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 73.450000000000003 110.868 179.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 89.8 t -147.74 110.44 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 74.439999999999998 111.138 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.05 -8.78 71.97 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.764 -0.731 . . . . 61.509999999999998 112.487 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.12 158.35 14.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 75.230000000000004 112.479 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 78.0 t -133.87 139.09 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.368 . . . . 64.310000000000002 111.139 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 22.8 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 74.439999999999998 111.084 179.96 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.802 0.334 . . . . 72.230000000000004 110.869 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.74 89.06 2.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 75.530000000000001 111.139 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.8 -38.03 80.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 75.209999999999994 110.843 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 11.4 m-85 -143.3 110.55 5.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 74.420000000000002 110.889 -179.925 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -128.21 107.74 10.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 70.239999999999995 110.929 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -112.21 117.45 32.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 70.340000000000003 110.888 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -115.07 101.75 9.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 70.209999999999994 110.856 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 24.2 m -153.15 176.04 12.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 71.219999999999999 110.894 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.19 -32.41 5.83 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 60.109999999999999 112.478 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -144.91 127.77 16.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.894 0.378 . . . . 74.530000000000001 110.921 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -107.12 118.23 36.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.09 -0.505 . . . . 74.420000000000002 110.884 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 43.0 t -127.5 113.35 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 74.120000000000005 111.099 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -117.67 113.26 21.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 75.349999999999994 110.875 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -124.75 123.73 40.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 73.439999999999998 110.888 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.95 131.89 56.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 74.340000000000003 110.952 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.67 116.44 22.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 75.439999999999998 110.883 179.978 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -125.32 103.14 7.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.284 -0.416 . . . . 75.040000000000006 110.935 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 97.4 t -107.47 112.37 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 74.430000000000007 111.16 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . . . . . . . . . 5.3 m-30 -108.78 101.12 10.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 73.109999999999999 110.909 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 60.01 82.69 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 65.5 110.892 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.19 133.81 52.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 73.409999999999997 111.119 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 56.88 74.02 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 75.239999999999995 110.9 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 3.0 p -111.34 144.12 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 75.5 111.14 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.3 -46.62 40.85 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.747 . . . . 71.150000000000006 112.462 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -160.89 131.36 5.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.912 0.387 . . . . 75.010000000000005 110.878 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 18.9 m120 -102.25 100.12 10.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 75.409999999999997 110.906 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -114.75 170.2 8.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 73.019999999999996 110.925 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.09 -129.35 39.36 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.702 -0.761 . . . . 74.400000000000006 112.53 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.4 111.9 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 71.239999999999995 111.072 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . 0.612 HG12 ' HA ' ' D' ' 31' ' ' ILE . 0.0 OUTLIER -116.67 111.49 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 73.340000000000003 111.119 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -128.87 122.01 55.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 74.230000000000004 111.139 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.54 -46.7 93.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 75.219999999999999 112.456 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.617 ' CD1' ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -161.46 146.11 13.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.833 0.349 . . . . 73.109999999999999 110.92 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 4.0 ttp -131.66 122.0 25.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 73.409999999999997 110.838 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 84.8 t -150.17 109.88 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 72.319999999999993 111.149 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.17 -8.12 72.23 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.703 -0.76 . . . . 74.209999999999994 112.477 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.49 156.67 15.44 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 63.310000000000002 112.491 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 78.9 t -134.17 138.29 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.359 . . . . 75.209999999999994 111.116 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 24.1 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 64.439999999999998 111.15 179.848 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.852 0.358 . . . . 65.150000000000006 110.862 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.12 89.14 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 73.230000000000004 111.13 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.91 -38.61 82.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 74.299999999999997 110.909 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 11.5 m-85 -143.31 110.74 5.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 75.310000000000002 110.908 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -125.96 108.41 11.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 63.130000000000003 110.851 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -114.21 116.85 29.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 72.310000000000002 110.889 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -114.14 102.32 10.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 72.019999999999996 110.847 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 25.8 m -155.02 175.07 14.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.099999999999994 110.87 -179.797 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.86 -31.71 5.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 60.43 112.467 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -145.23 128.6 16.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.896 0.379 . . . . 74.310000000000002 110.936 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -106.52 119.77 40.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.499 . . . . 75.049999999999997 110.86 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 43.3 t -126.86 112.62 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 73.109999999999999 111.133 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -117.96 113.41 21.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 70.340000000000003 110.838 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -123.97 123.09 39.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 72.310000000000002 110.882 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.7 132.19 56.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 72.349999999999994 110.946 -179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -123.81 117.07 24.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 72.510000000000005 110.903 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -128.85 101.31 6.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 75.530000000000001 110.922 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 89.2 t -105.92 113.99 44.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 75.129999999999995 111.109 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 -107.54 99.44 8.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 75.510000000000005 110.887 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 59.81 83.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 75.310000000000002 110.918 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.64 134.59 52.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 74.120000000000005 111.118 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 56.9 74.19 0.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 74.120000000000005 110.911 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 p -112.28 143.51 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 74.019999999999996 111.103 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.9 -46.15 38.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.805 -0.712 . . . . 73.420000000000002 112.454 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -160.6 131.82 5.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.861 0.362 . . . . 74.230000000000004 110.854 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 19.0 m120 -102.5 99.61 9.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 71.140000000000001 110.86 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -114.7 170.96 7.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 74.319999999999993 110.884 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.86 -129.13 38.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.775 -0.726 . . . . 64.200000000000003 112.465 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . 0.451 ' O ' HG12 ' C' ' 31' ' ' ILE . . . -106.73 111.87 24.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.714 0.292 . . . . 70.120000000000005 111.109 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . 0.612 ' HA ' HG12 ' C' ' 31' ' ' ILE . 0.0 OUTLIER -114.65 110.44 32.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 75.420000000000002 111.138 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -127.92 121.18 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 74.439999999999998 111.095 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -63.0 -45.79 94.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 54.539999999999999 112.47 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.614 ' N ' ' CD1' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -160.49 145.44 14.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.766 0.317 . . . . 74.519999999999996 110.932 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 4.9 ttp -132.11 120.94 22.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 73.409999999999997 110.898 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 92.8 t -150.98 109.15 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 74.030000000000001 111.133 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.92 -6.97 72.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 73.129999999999995 112.51 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.79 155.29 16.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.702 -0.761 . . . . 45.340000000000003 112.511 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 77.1 t -135.31 138.03 49.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.904 0.383 . . . . 73.310000000000002 111.103 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 72.200000000000003 111.122 179.897 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.86 0.362 . . . . 73.319999999999993 110.847 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.28 88.76 2.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 73.340000000000003 111.119 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.41 -35.71 76.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 64.409999999999997 110.868 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 13.6 m-85 -144.75 112.74 6.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 73.209999999999994 110.852 -179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -126.28 105.35 8.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 74.310000000000002 110.895 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -114.86 115.29 26.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 75.140000000000001 110.838 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -111.37 100.89 9.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 73.230000000000004 110.915 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 25.7 m -154.9 170.72 21.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 54.539999999999999 110.833 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.5 -29.99 7.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 75.109999999999999 112.437 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -146.66 128.72 15.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.362 . . . . 72.040000000000006 110.924 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -106.8 119.99 40.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 74.209999999999994 110.893 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 43.5 t -124.71 113.61 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 72.120000000000005 111.097 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -118.61 112.67 20.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 75.140000000000001 110.887 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -123.01 124.39 43.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 75.430000000000007 110.875 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.6 134.43 55.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 72.420000000000002 110.95 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -123.44 116.14 22.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 74.209999999999994 110.91 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -129.27 103.76 7.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 75.030000000000001 110.946 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 92.3 t -105.92 115.06 46.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 75.299999999999997 111.096 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -107.79 96.11 6.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 74.530000000000001 110.849 -179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 60.39 82.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 71.430000000000007 110.882 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.79 134.77 50.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 62.240000000000002 111.132 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 54.73 74.69 0.34 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 74.319999999999993 110.897 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 3.3 p -110.32 142.97 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 65.030000000000001 111.099 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.94 -45.28 27.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 71.040000000000006 112.501 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.2 m -161.03 132.37 5.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.905 0.384 . . . . 73.129999999999995 110.808 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 23.7 m120 -101.72 99.29 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 72.239999999999995 110.919 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -114.85 170.21 8.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 73.230000000000004 110.927 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.91 -130.82 40.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.764 -0.731 . . . . 71.329999999999998 112.458 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . 0.464 ' O ' HG12 ' D' ' 31' ' ' ILE . . . -104.12 113.49 27.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.739 0.304 . . . . 75.299999999999997 111.053 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . 0.605 ' HA ' HG12 ' D' ' 31' ' ' ILE . 0.0 OUTLIER -111.58 111.99 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 74.5 111.116 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -130.04 113.69 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 74.549999999999997 111.112 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.04 -40.23 98.22 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.74 -0.743 . . . . 55.530000000000001 112.509 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.613 ' N ' ' CD1' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -163.01 145.44 10.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.796 0.331 . . . . 74.329999999999998 110.923 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.8 ttp -134.51 120.88 20.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 73.019999999999996 110.906 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 96.6 t -151.46 108.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 62.530000000000001 111.12 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.76 -4.01 66.99 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 72.200000000000003 112.466 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.26 155.16 16.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 75.049999999999997 112.528 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 69.7 t -135.42 139.41 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 74.530000000000001 111.117 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 72.019999999999996 111.123 179.919 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 . . . . . 0 CA--C 1.526 0.051 0 CA-C-O 120.857 0.361 . . . . 75.129999999999995 110.837 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.33 88.46 2.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 74.219999999999999 111.119 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.21 -39.09 85.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 73.349999999999994 110.844 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 4.9 m-85 -142.9 112.89 7.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 75.530000000000001 110.844 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -135.52 108.29 7.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 74.530000000000001 110.867 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -108.32 118.45 36.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 71.450000000000003 110.869 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -115.17 101.41 8.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 75.519999999999996 110.857 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 27.9 m -154.02 176.81 11.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 73.319999999999993 110.833 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.89 -32.84 6.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.703 -0.761 . . . . 73.099999999999994 112.477 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -144.69 129.03 17.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 74.319999999999993 110.957 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -111.19 117.85 34.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 74.430000000000007 110.896 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -131.55 114.02 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 74.540000000000006 111.166 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -114.9 113.48 24.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 74.340000000000003 110.855 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -125.39 120.59 31.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 71.340000000000003 110.826 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.25 132.66 56.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 75.510000000000005 110.871 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -132.54 115.82 15.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 75.010000000000005 110.885 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -123.2 109.1 13.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 74.239999999999995 110.925 179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 86.1 t -108.55 112.99 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 73.200000000000003 111.092 179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -111.02 106.43 15.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 75.5 110.865 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 62.08 80.3 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 74.430000000000007 110.892 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -112.59 135.49 53.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 62.329999999999998 111.053 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 54.84 73.28 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 74.239999999999995 110.841 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 4.2 p -112.75 144.48 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 72.349999999999994 111.102 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.83 -49.04 44.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 54.340000000000003 112.505 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.0 m -160.92 133.01 5.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.357 . . . . 64.150000000000006 110.905 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . 0.406 ' HB3' HG13 ' F' ' 31' ' ' ILE . 25.4 m120 -102.9 100.74 10.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 71.219999999999999 110.865 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -114.28 167.7 10.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 73.25 110.864 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.23 -130.69 47.86 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.681 -0.771 . . . . 71.0 112.539 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -109.45 111.56 23.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.774 0.321 . . . . 64.200000000000003 111.098 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . 0.465 HG13 HG22 ' G' ' 31' ' ' ILE . 0.0 OUTLIER -123.05 115.15 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 73.409999999999997 111.173 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mt -131.58 121.85 48.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 75.540000000000006 111.127 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.38 -50.32 41.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 73.200000000000003 112.498 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.605 ' N ' ' CD1' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -165.77 148.91 7.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.848 0.356 . . . . 74.329999999999998 110.873 -179.891 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 3.5 ttp -132.18 124.5 29.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 71.329999999999998 110.877 179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 84.6 t -144.51 111.04 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 73.420000000000002 111.108 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.97 -10.37 68.55 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.722 -0.751 . . . . 71.140000000000001 112.527 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -112.04 158.06 14.55 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.708 -0.758 . . . . 63.020000000000003 112.453 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 92.9 t -133.89 143.14 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 73.319999999999993 111.108 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 24.7 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 75.340000000000003 111.154 179.911 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.855 0.36 . . . . 64.040000000000006 110.91 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.11 88.65 2.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 72.030000000000001 111.098 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.72 -39.84 86.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 74.420000000000002 110.906 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -145.26 112.06 5.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 74.420000000000002 110.876 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -131.55 108.26 9.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 74.150000000000006 110.886 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -110.24 117.87 34.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 74.140000000000001 110.848 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -115.12 101.69 9.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 75.450000000000003 110.861 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 26.2 m -152.64 176.22 11.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 71.310000000000002 110.864 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.88 -33.39 5.82 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 63.200000000000003 112.507 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -144.58 128.53 17.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.372 . . . . 74.299999999999997 110.878 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -108.26 117.53 34.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 74.129999999999995 110.875 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 43.9 t -128.21 113.85 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 75.109999999999999 111.105 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -116.8 113.67 22.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 75.129999999999995 110.852 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -125.62 122.44 36.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 72.140000000000001 110.85 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -117.27 132.51 56.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 75.510000000000005 110.928 -179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -127.94 116.42 20.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 74.150000000000006 110.885 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -124.53 104.75 8.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 74.219999999999999 110.9 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 93.5 t -107.33 112.02 38.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 75.510000000000005 111.128 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 -110.98 103.12 11.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 70.209999999999994 110.86 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 61.74 80.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 75.420000000000002 110.878 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.99 133.78 52.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 72.239999999999995 111.137 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 56.28 73.79 0.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 64.150000000000006 110.853 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 p -111.73 144.1 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 62.109999999999999 111.108 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.35 -47.32 36.51 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 75.109999999999999 112.473 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -160.64 131.56 5.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.914 0.388 . . . . 71.239999999999995 110.827 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 20.6 m120 -102.12 99.9 10.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 75.450000000000003 110.934 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -114.16 170.87 7.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 73.340000000000003 110.917 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.45 -128.22 35.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.744 . . . . 63.399999999999999 112.518 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -110.3 112.63 24.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.738 0.304 . . . . 72.0 111.062 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . 0.547 HG12 ' HA ' ' H' ' 31' ' ' ILE . 0.0 OUTLIER -119.02 113.54 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 75.239999999999995 111.115 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -130.42 121.08 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 75.319999999999993 111.124 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.27 -46.82 92.39 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 73.299999999999997 112.454 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.603 ' N ' ' CD1' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -163.92 147.1 9.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.343 . . . . 72.310000000000002 110.935 -179.889 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 3.7 ttp -132.54 122.75 25.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 72.109999999999999 110.867 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 97.3 t -147.65 110.4 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 74.430000000000007 111.072 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.93 -8.7 71.9 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.746 -0.74 . . . . 74.340000000000003 112.466 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.18 156.9 15.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 75.450000000000003 112.506 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 63.5 t -134.78 139.58 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.886 0.374 . . . . 71.549999999999997 111.102 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 27.2 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 75.349999999999994 111.115 179.906 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.839 0.352 . . . . 61.310000000000002 110.844 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.02 89.18 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 71.340000000000003 111.136 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.11 -39.65 82.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 72.510000000000005 110.911 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 8.5 m-85 -144.5 112.02 6.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 74.049999999999997 110.863 -179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -128.99 108.08 10.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 75.420000000000002 110.868 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -111.3 116.28 30.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 74.329999999999998 110.86 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -113.6 101.92 9.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 73.420000000000002 110.854 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 24.5 m -153.58 175.79 12.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 74.310000000000002 110.871 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.14 -32.47 5.82 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.732 -0.747 . . . . 72.209999999999994 112.466 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -144.85 128.55 17.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.833 0.349 . . . . 74.200000000000003 110.918 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -107.18 118.22 36.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 71.219999999999999 110.865 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 43.4 t -126.53 113.35 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 73.219999999999999 111.16 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -117.81 113.36 21.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 75.409999999999997 110.869 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -125.75 123.03 37.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 70.099999999999994 110.869 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.79 131.89 56.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 74.120000000000005 110.92 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -124.87 116.29 22.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.400000000000006 110.921 179.984 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -125.6 102.95 7.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 62.509999999999998 110.902 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 96.0 t -107.08 112.97 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 73.400000000000006 111.155 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . . . . . . . . . 5.6 m-30 -109.24 100.98 10.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 65.230000000000004 110.866 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 60.21 82.42 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 74.439999999999998 110.883 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.93 134.03 52.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 62.100000000000001 111.112 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 56.86 73.81 0.44 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.232 -0.44 . . . . 74.409999999999997 110.842 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 p -111.26 144.15 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 72.329999999999998 111.129 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.76 -47.22 34.15 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.784 -0.722 . . . . 74.519999999999996 112.506 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -159.85 131.5 6.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 74.140000000000001 110.86 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 18.8 m120 -102.43 99.97 10.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 72.219999999999999 110.925 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -114.74 171.66 7.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 73.450000000000003 110.891 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.94 -129.09 34.69 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.712 -0.756 . . . . 64.420000000000002 112.525 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -108.16 111.81 24.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.779 0.323 . . . . 74.530000000000001 111.091 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . 0.625 HG12 ' HA ' ' I' ' 31' ' ' ILE . 0.0 OUTLIER -116.18 111.29 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 75.129999999999995 111.101 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -128.71 121.22 54.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 75.519999999999996 111.156 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.99 -46.83 93.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.747 -0.74 . . . . 71.329999999999998 112.493 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . 0.615 ' CD1' ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -161.27 146.07 13.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 73.409999999999997 110.941 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 4.1 ttp -131.7 121.83 24.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 71.219999999999999 110.83 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 85.3 t -150.22 109.66 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 55.420000000000002 111.172 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.25 -8.32 71.54 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.773 -0.727 . . . . 75.010000000000005 112.484 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.36 156.28 15.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 73.349999999999994 112.457 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 64.5 t -135.85 138.39 47.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.901 0.382 . . . . 74.150000000000006 111.136 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 30.3 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 75.109999999999999 111.139 179.936 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.818 0.342 . . . . 71.420000000000002 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.84 89.2 2.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 74.409999999999997 111.081 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.07 -39.51 82.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 71.239999999999995 110.93 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 8.3 m-85 -144.04 112.29 6.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 73.0 110.906 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -126.88 108.48 11.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 73.099999999999994 110.849 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -113.29 116.31 29.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 74.299999999999997 110.885 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -113.49 102.16 10.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 71.430000000000007 110.823 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 24.9 m -155.08 174.52 15.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 74.310000000000002 110.817 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.41 -31.9 5.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 50.520000000000003 112.477 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -145.06 129.19 17.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 75.109999999999999 110.946 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -105.88 119.43 39.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.513 . . . . 73.040000000000006 110.877 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 43.8 t -125.52 112.57 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 75.5 111.118 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -118.48 114.06 22.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 60.420000000000002 110.829 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -125.91 122.25 35.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 74.109999999999999 110.82 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -118.46 132.12 56.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 73.230000000000004 110.921 -179.951 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -123.82 116.76 23.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 75.239999999999995 110.893 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -128.66 101.5 6.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 74.5 110.922 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 88.7 t -105.87 113.99 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 75.230000000000004 111.107 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 -107.73 98.62 8.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 72.409999999999997 110.881 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 60.19 84.01 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 74.040000000000006 110.88 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.97 134.72 52.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 64.25 111.086 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 56.8 74.02 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 74.239999999999995 110.874 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 2.8 p -111.71 143.55 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.519999999999996 111.131 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.84 -46.5 37.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 63.100000000000001 112.468 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -160.11 131.25 5.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 53.450000000000003 110.843 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -101.74 99.56 9.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 73.439999999999998 110.92 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -114.85 171.97 7.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 72.420000000000002 110.895 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.92 -129.06 34.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.773 -0.727 . . . . 75.230000000000004 112.52 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . 0.444 ' O ' HG12 ' H' ' 31' ' ' ILE . . . -107.26 111.67 24.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.703 0.287 . . . . 74.230000000000004 111.11 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . 0.625 ' HA ' HG12 ' H' ' 31' ' ' ILE . 0.0 OUTLIER -114.15 110.58 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.140000000000001 111.088 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -127.81 120.3 53.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 73.519999999999996 111.165 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.18 -45.79 95.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 63.149999999999999 112.513 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . 0.614 ' N ' ' CD1' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -160.87 145.44 13.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.807 0.336 . . . . 72.120000000000005 110.906 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 4.2 ttp -132.02 120.78 22.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 75.409999999999997 110.905 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 89.7 t -150.74 109.06 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 75.430000000000007 111.107 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.85 -6.97 72.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 75.450000000000003 112.454 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.0 155.07 16.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 71.400000000000006 112.507 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 69.1 t -136.12 137.36 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.34 . . . . 71.200000000000003 111.158 -179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 30.4 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 75.019999999999996 111.171 179.907 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.889 0.376 . . . . 74.030000000000001 110.833 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.27 88.87 2.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 65.409999999999997 111.073 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.2 -38.82 80.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 73.239999999999995 110.845 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 6.2 m-85 -144.47 114.02 7.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 62.240000000000002 110.86 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -126.27 106.31 9.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 73.340000000000003 110.875 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -114.66 114.64 25.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 73.319999999999993 110.885 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -110.69 101.21 9.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 73.549999999999997 110.918 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 27.0 m -155.32 170.25 22.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 73.239999999999995 110.896 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.44 -30.46 7.29 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.771 -0.728 . . . . 71.219999999999999 112.481 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -146.18 127.91 15.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.823 0.344 . . . . 73.340000000000003 110.966 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -105.5 119.89 40.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 73.519999999999996 110.902 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 44.4 t -123.67 113.41 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 74.549999999999997 111.138 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -118.83 113.0 20.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 74.219999999999999 110.826 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -124.74 123.45 40.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 74.019999999999996 110.863 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.22 135.06 55.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 74.239999999999995 110.926 -179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -123.63 116.11 22.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.450000000000003 110.899 179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -129.03 102.67 6.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 74.319999999999993 110.949 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 93.1 t -105.25 115.38 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 72.0 111.116 179.841 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 4.8 m-30 -107.84 95.9 6.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 74.519999999999996 110.912 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 60.66 82.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 75.040000000000006 110.872 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.02 135.49 49.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 62.409999999999997 111.12 179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 54.35 74.75 0.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 74.109999999999999 110.86 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 3.1 p -110.41 142.75 21.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 73.409999999999997 111.097 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.27 -45.61 30.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 74.420000000000002 112.5 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 4.2 m -161.0 131.52 5.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 63.149999999999999 110.844 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 22.7 m120 -100.59 98.82 9.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 74.319999999999993 110.898 -179.968 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -114.78 171.28 7.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 75.140000000000001 110.89 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.42 -131.9 38.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 53.43 112.459 179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . 0.469 ' O ' HG12 ' I' ' 31' ' ' ILE . . . -103.64 113.15 26.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.761 0.315 . . . . 73.310000000000002 111.149 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . 0.611 ' HA ' HG12 ' I' ' 31' ' ' ILE . 0.0 OUTLIER -111.3 113.36 44.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 74.549999999999997 111.125 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -130.13 113.67 26.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 73.329999999999998 111.136 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.78 -41.06 98.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 65.230000000000004 112.462 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . 0.609 ' N ' ' CD1' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -163.73 144.22 8.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.835 0.35 . . . . 74.239999999999995 110.912 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 4.0 ttp -133.04 120.72 21.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 74.430000000000007 110.87 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 95.9 t -151.48 108.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 75.319999999999993 111.158 179.917 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.9 -3.85 68.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 64.239999999999995 112.507 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.76 155.0 16.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 73.109999999999999 112.487 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 72.4 t -136.29 140.5 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 74.319999999999993 111.152 -179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 24.9 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 71.049999999999997 111.104 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.805 0.336 . . . . 73.409999999999997 110.876 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.93 101.87 6.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 72.530000000000001 111.121 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.07 -34.31 77.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 73.519999999999996 110.882 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 5.9 m-85 -147.27 113.02 5.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 74.319999999999993 110.917 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -137.8 108.01 6.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 75.019999999999996 110.853 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -112.73 109.36 18.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.467 . . . . 71.219999999999999 110.882 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -110.69 101.98 10.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 50.229999999999997 110.908 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.5 m -145.51 176.88 9.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 72.140000000000001 110.9 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.34 -7.27 43.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.777 -0.725 . . . . 74.030000000000001 112.47 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.47 117.52 0.35 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.849 0.357 . . . . 74.329999999999998 110.929 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.55 119.88 36.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 70.239999999999995 110.909 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.8 t -135.58 114.01 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 75.349999999999994 111.103 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -126.16 131.79 51.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 74.129999999999995 110.85 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -138.94 121.59 16.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 74.230000000000004 110.846 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -129.92 135.38 48.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 74.209999999999994 110.898 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -130.11 122.33 28.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 60.009999999999998 110.923 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -117.26 104.28 11.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 71.0 110.923 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.5 t -107.39 116.48 51.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 75.230000000000004 111.17 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' PHE . . . . . 0.552 ' O ' ' C ' ' A' ' 20' ' ' PHE . 8.4 m-85 -101.22 107.91 19.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 72.010000000000005 110.891 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PHE . . . . . 0.552 ' C ' ' O ' ' A' ' 19' ' ' PHE . 7.3 p90 24.2 79.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 75.420000000000002 110.815 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.72 149.38 29.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 73.209999999999994 111.118 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.5 t0 63.85 66.4 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 64.329999999999998 110.856 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 4.5 p -110.71 144.17 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 74.299999999999997 111.122 179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.57 -50.03 58.8 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.717 -0.754 . . . . 71.140000000000001 112.518 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.9 m -160.53 129.96 5.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 75.219999999999999 110.867 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -100.48 102.29 13.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 74.140000000000001 110.881 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.23 149.67 35.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 74.420000000000002 110.868 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.79 -133.32 20.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.745 . . . . 43.0 112.459 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.76 114.27 28.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.32 . . . . 74.200000000000003 111.119 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.17 112.11 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 72.310000000000002 111.126 179.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -129.24 121.15 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 74.519999999999996 111.149 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.32 -48.7 84.66 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.757 -0.735 . . . . 53.329999999999998 112.458 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LEU . . . . . 0.615 ' N ' ' CD1' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -160.73 147.59 15.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 74.219999999999999 110.873 -179.88 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.9 mtp -135.99 123.32 21.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 73.540000000000006 110.89 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 74.1 t -129.11 113.38 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 73.409999999999997 111.142 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.14 17.81 77.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 54.240000000000002 112.482 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.18 -171.1 29.67 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.765 -0.731 . . . . 75.230000000000004 112.473 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' VAL . . . . . . . . . . . . . 14.6 p -169.18 150.45 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.373 . . . . 72.439999999999998 111.092 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 34.9 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 74.450000000000003 111.121 179.899 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.782 0.325 . . . . 65.25 110.894 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.98 101.99 6.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 70.310000000000002 111.116 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.64 -32.32 72.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 63.009999999999998 110.895 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -149.0 111.83 4.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 74.310000000000002 110.854 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -133.41 108.04 8.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 74.430000000000007 110.865 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -114.22 109.37 18.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 73.120000000000005 110.879 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -111.87 102.13 10.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 73.239999999999995 110.861 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 43.5 m -145.91 176.34 9.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 73.420000000000002 110.855 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.54 -7.31 42.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 74.430000000000007 112.493 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.4 116.05 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.847 0.356 . . . . 65.219999999999999 110.908 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.45 119.59 34.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 75.099999999999994 110.896 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.5 t -133.22 114.22 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 74.209999999999994 111.115 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -125.08 132.61 53.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 74.019999999999996 110.897 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -136.35 122.87 20.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 75.310000000000002 110.835 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -129.69 132.62 46.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 72.230000000000004 110.87 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -128.69 121.75 29.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 73.299999999999997 110.898 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -120.06 102.29 8.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 75.239999999999995 110.886 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 60.9 t -105.91 116.12 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 75.129999999999995 111.087 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' PHE . . . . . 0.515 ' O ' ' C ' ' B' ' 20' ' ' PHE . 6.1 m-30 -101.08 99.88 10.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 75.25 110.911 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' PHE . . . . . 0.515 ' C ' ' O ' ' B' ' 19' ' ' PHE . 9.8 p90 27.3 79.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 71.109999999999999 110.858 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.03 149.85 27.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 60.109999999999999 111.097 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 25.0 t0 64.35 66.93 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 54.030000000000001 110.857 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 p -110.17 142.98 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 72.099999999999994 111.126 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.8 -48.18 73.84 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.803 -0.713 . . . . 75.140000000000001 112.51 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 10.5 m -160.64 128.51 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 75.430000000000007 110.879 -179.734 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -100.04 101.71 12.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 73.219999999999999 110.878 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.82 152.32 30.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 72.530000000000001 110.904 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.54 -132.04 22.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 72.120000000000005 112.492 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.62 114.21 28.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.789 0.328 . . . . 74.420000000000002 111.053 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' ILE . . . . . 0.418 ' CD1' ' N ' ' B' ' 31' ' ' ILE . 0.0 OUTLIER -118.8 111.94 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 74.430000000000007 111.137 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -127.62 123.69 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 74.099999999999994 111.157 179.841 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.96 -49.38 76.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 60.020000000000003 112.47 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' LEU . . . . . 0.616 ' N ' ' CD1' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -156.91 147.34 21.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.338 . . . . 70.540000000000006 110.901 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtp -131.07 123.08 27.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 71.0 110.903 179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 91.1 t -134.73 112.31 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 64.230000000000004 111.137 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.98 19.15 69.58 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 74.109999999999999 112.474 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.71 -171.7 33.07 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 65.510000000000005 112.452 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' VAL . . . . . . . . . . . . . 14.8 p -168.28 149.62 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 71.099999999999994 111.115 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 35.3 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 73.430000000000007 111.099 179.903 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.77 0.319 . . . . 74.010000000000005 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.69 102.42 6.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 73.439999999999998 111.153 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.75 -31.96 72.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 73.519999999999996 110.9 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -149.37 111.31 4.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 75.349999999999994 110.883 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -131.25 108.2 9.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 72.120000000000005 110.915 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -116.18 109.11 17.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 72.25 110.837 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -111.61 102.15 10.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 74.420000000000002 110.892 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 45.9 m -145.88 175.97 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 72.420000000000002 110.872 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.36 -7.05 40.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 73.109999999999999 112.477 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -172.29 115.85 0.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.819 0.342 . . . . 74.439999999999998 110.913 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.7 119.92 34.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 75.219999999999999 110.891 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 99.4 t -132.11 113.94 22.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 72.040000000000006 111.113 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -124.86 132.5 53.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 72.420000000000002 110.893 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -135.27 123.45 22.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 74.230000000000004 110.854 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -129.97 132.2 46.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 73.540000000000006 110.895 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 10.9 tttp -127.71 121.79 31.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 72.310000000000002 110.93 179.894 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -123.31 101.28 7.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 73.439999999999998 110.926 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 58.8 t -105.91 117.35 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 75.340000000000003 111.12 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' PHE . . . . . 0.522 ' O ' ' C ' ' C' ' 20' ' ' PHE . 4.6 m-30 -101.14 98.75 9.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 72.049999999999997 110.877 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' PHE . . . . . 0.522 ' C ' ' O ' ' C' ' 19' ' ' PHE . 9.8 p90 26.95 78.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 74.400000000000006 110.881 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.1 149.65 26.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 71.140000000000001 111.12 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t0 64.16 67.22 0.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 75.439999999999998 110.843 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 3.4 p -110.06 142.72 21.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 73.439999999999998 111.089 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.76 -47.37 86.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.712 -0.756 . . . . 73.219999999999999 112.484 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 11.4 m -160.19 128.03 4.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.358 . . . . 62.109999999999999 110.847 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 -101.03 101.14 11.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 75.239999999999995 110.876 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.03 152.47 30.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 73.219999999999999 110.883 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.54 -132.67 20.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 61.43 112.493 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.54 113.77 27.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 73.120000000000005 111.085 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 31' ' ' ILE . . . . . 0.424 ' CD1' ' N ' ' C' ' 31' ' ' ILE . 0.0 OUTLIER -118.09 111.15 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 74.120000000000005 111.134 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -126.84 123.47 62.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 73.340000000000003 111.181 179.818 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.2 -49.61 73.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 74.030000000000001 112.448 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 34' ' ' LEU . . . . . 0.622 ' CD1' ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -155.54 146.19 22.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.341 . . . . 73.340000000000003 110.909 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtp -129.02 122.68 30.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 75.219999999999999 110.907 179.823 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 93.9 t -136.01 111.52 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 75.150000000000006 111.163 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.04 20.73 67.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.804 -0.712 . . . . 75.420000000000002 112.488 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.0 -171.74 34.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.658 -0.782 . . . . 75.310000000000002 112.48 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 39' ' ' VAL . . . . . . . . . . . . . 14.8 p -167.61 149.47 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.37 . . . . 75.230000000000004 111.117 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 35.9 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 71.329999999999998 111.11 179.928 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.795 0.331 . . . . 74.340000000000003 110.873 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.96 102.5 6.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 74.409999999999997 111.125 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.14 -32.19 73.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 62.329999999999998 110.897 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -148.97 110.83 4.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 74.549999999999997 110.914 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -129.75 108.09 9.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 74.010000000000005 110.855 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -118.2 108.92 15.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 74.409999999999997 110.881 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -110.38 102.34 10.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 73.239999999999995 110.83 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 48.0 m -146.14 174.34 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 73.120000000000005 110.841 -179.756 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.02 -6.14 40.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.743 . . . . 73.25 112.494 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -171.89 116.44 0.38 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.8 0.333 . . . . 73.400000000000006 110.883 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.11 121.85 36.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 75.239999999999995 110.894 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 98.8 t -131.95 114.01 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 74.540000000000006 111.084 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -126.4 132.41 51.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 75.519999999999996 110.874 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -134.91 123.76 23.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 72.25 110.826 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -130.41 131.32 45.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 74.239999999999995 110.918 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 11.3 tttp -126.42 120.5 29.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 64.409999999999997 110.902 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -125.5 100.37 6.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 71.049999999999997 110.904 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 59.5 t -105.86 119.01 54.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 74.349999999999994 111.138 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 19' ' ' PHE . . . . . 0.523 ' O ' ' C ' ' D' ' 20' ' ' PHE . 4.0 m-30 -100.93 97.01 7.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 74.010000000000005 110.91 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 20' ' ' PHE . . . . . 0.523 ' C ' ' O ' ' D' ' 19' ' ' PHE . 10.0 p90 27.22 77.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 63.240000000000002 110.901 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.37 149.63 25.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 71.299999999999997 111.109 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 25.1 t0 64.01 67.72 0.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 63.229999999999997 110.888 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 3.5 p -110.53 142.44 22.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 75.019999999999996 111.097 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.45 -47.05 90.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.729 . . . . 72.099999999999994 112.495 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 10.1 m -160.43 126.93 4.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.916 0.389 . . . . 62.310000000000002 110.851 -179.695 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -101.01 102.65 13.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 75.439999999999998 110.882 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.97 152.5 30.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 74.310000000000002 110.874 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.83 -132.57 19.89 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.717 -0.754 . . . . 72.430000000000007 112.515 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.91 113.43 26.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.751 0.31 . . . . 74.430000000000007 111.11 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 31' ' ' ILE . . . . . 0.416 ' CD1' ' N ' ' D' ' 31' ' ' ILE . 0.0 OUTLIER -116.97 111.25 34.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 74.420000000000002 111.121 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -126.06 123.53 64.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 74.319999999999993 111.133 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.99 -51.38 57.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 73.150000000000006 112.521 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 34' ' ' LEU . . . . . 0.626 ' N ' ' CD1' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -153.42 144.71 23.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 73.200000000000003 110.927 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtp -128.68 122.05 29.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 73.219999999999999 110.874 179.88 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 98.9 t -136.96 111.0 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 73.239999999999995 111.128 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.04 20.05 66.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.681 -0.771 . . . . 74.530000000000001 112.488 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.1 -171.37 35.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 74.510000000000005 112.523 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 39' ' ' VAL . . . . . . . . . . . . . 14.5 p -166.87 150.32 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 74.549999999999997 111.085 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 35.7 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 74.25 111.115 179.903 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.781 0.324 . . . . 73.120000000000005 110.921 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.31 102.45 6.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 71.299999999999997 111.073 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 3' ' ' GLU . . . . . 0.404 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . 1.7 mp0 -65.81 -31.34 72.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 64.230000000000004 110.93 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 7.2 m-85 -148.69 113.4 5.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 73.409999999999997 110.885 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -129.52 106.42 8.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 74.340000000000003 110.863 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -118.83 109.08 15.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 75.120000000000005 110.86 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -108.38 101.45 10.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 71.409999999999997 110.881 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 47.5 m -148.47 169.6 19.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 74.519999999999996 110.835 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.15 -5.57 43.45 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.711 -0.757 . . . . 74.030000000000001 112.486 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -170.93 115.21 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.366 . . . . 74.099999999999994 110.895 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.91 123.71 38.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 74.430000000000007 110.894 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 92.8 t -129.89 115.17 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 73.310000000000002 111.105 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -126.33 133.48 51.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 71.329999999999998 110.865 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -134.58 124.35 25.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 74.209999999999994 110.862 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -131.94 132.6 43.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 73.430000000000007 110.922 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 10.5 tttp -126.96 120.58 29.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 73.040000000000006 110.896 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 17' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -128.0 100.06 5.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 72.340000000000003 110.92 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 60.3 t -104.4 120.67 55.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 71.439999999999998 111.09 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 19' ' ' PHE . . . . . 0.511 ' O ' ' C ' ' E' ' 20' ' ' PHE . 3.5 m-30 -103.5 95.95 6.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 73.129999999999995 110.909 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 20' ' ' PHE . . . . . 0.511 ' C ' ' O ' ' E' ' 19' ' ' PHE . 12.3 p90 29.02 75.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 73.010000000000005 110.839 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.84 147.08 27.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 72.209999999999994 111.083 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 24.6 t0 62.27 69.13 0.63 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 74.140000000000001 110.887 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 4.2 p -110.19 141.66 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 74.349999999999994 111.114 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.34 -47.04 92.0 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.756 -0.735 . . . . 55.240000000000002 112.493 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 10.8 m -160.59 126.3 3.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 71.420000000000002 110.882 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -101.33 102.84 13.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 74.25 110.898 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.14 152.77 30.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 73.430000000000007 110.945 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.75 -134.01 21.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 74.030000000000001 112.478 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -103.85 113.7 27.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.743 0.306 . . . . 55.32 111.136 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.95 112.75 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 74.329999999999998 111.123 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -128.04 120.58 54.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 75.319999999999993 111.118 179.858 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.6 -47.8 88.34 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 72.230000000000004 112.459 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 34' ' ' LEU . . . . . 0.6 ' N ' ' CD1' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -153.32 148.14 26.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.849 0.357 . . . . 74.430000000000007 110.933 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 4.9 mtp -134.21 120.12 19.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 63.240000000000002 110.847 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 93.8 t -138.0 111.18 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 74.010000000000005 111.144 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.84 21.21 63.0 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.761 -0.733 . . . . 74.319999999999993 112.485 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.9 -171.16 35.56 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 71.219999999999999 112.46 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 39' ' ' VAL . . . . . . . . . . . . . 14.7 p -166.9 150.03 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 72.230000000000004 111.131 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 29.0 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 74.510000000000005 111.139 179.921 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.83 0.348 . . . . 72.230000000000004 110.841 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.42 101.94 6.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 73.430000000000007 111.111 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -67.03 -33.76 76.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 63.32 110.882 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 -147.08 113.46 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 71.219999999999999 110.857 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -137.85 108.16 6.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 72.329999999999998 110.913 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -112.49 109.43 19.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 70.540000000000006 110.884 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -110.45 102.34 10.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 75.219999999999999 110.863 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 45.0 m -145.93 176.61 9.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 74.129999999999995 110.864 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.29 -7.33 43.41 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 74.010000000000005 112.475 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.29 117.58 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 65.219999999999999 110.899 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.14 119.57 35.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 74.329999999999998 110.912 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 89.8 t -135.56 114.14 15.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.475 . . . . 73.420000000000002 111.078 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -126.38 132.16 51.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 72.25 110.817 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -139.12 121.93 16.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 71.340000000000003 110.882 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -130.6 135.09 47.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 71.420000000000002 110.886 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -130.12 122.66 28.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 74.530000000000001 110.948 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 17' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -117.34 104.29 10.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 72.120000000000005 110.936 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 60.6 t -107.38 116.76 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 74.530000000000001 111.143 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 19' ' ' PHE . . . . . 0.558 ' O ' ' C ' ' F' ' 20' ' ' PHE . 8.3 m-85 -101.42 107.65 19.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 75.450000000000003 110.873 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 20' ' ' PHE . . . . . 0.558 ' C ' ' O ' ' F' ' 19' ' ' PHE . 7.2 p90 24.41 79.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 72.140000000000001 110.884 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.69 149.21 29.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 71.140000000000001 111.085 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 24.4 t0 64.46 66.22 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 64.420000000000002 110.892 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 4.6 p -110.94 144.43 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 74.209999999999994 111.145 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.18 -50.06 60.87 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 74.340000000000003 112.499 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 11.4 m -160.44 128.82 4.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.378 . . . . 73.239999999999995 110.854 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -98.97 101.62 13.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 74.209999999999994 110.864 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.87 150.33 33.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 73.450000000000003 110.942 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.59 -134.2 22.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 62.310000000000002 112.453 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -104.99 113.8 27.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.32 . . . . 75.340000000000003 111.088 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -121.0 112.71 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 73.329999999999998 111.108 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mt -129.68 120.8 51.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 74.239999999999995 111.139 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.39 -49.6 74.82 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.689 -0.767 . . . . 75.019999999999996 112.478 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 34' ' ' LEU . . . . . 0.614 ' N ' ' CD1' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -160.8 147.8 15.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 74.200000000000003 110.915 -179.9 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtp -135.26 123.31 22.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 74.319999999999993 110.915 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 74.7 t -129.03 113.27 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 63.219999999999999 111.171 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.74 17.21 76.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.779 -0.724 . . . . 62.329999999999998 112.463 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.29 -171.2 29.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 72.010000000000005 112.498 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 39' ' ' VAL . . . . . . . . . . . . . 14.8 p -168.97 149.97 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 73.409999999999997 111.109 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 34.2 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 73.010000000000005 111.142 179.924 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.8 0.333 . . . . 73.450000000000003 110.867 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.88 101.58 6.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 75.109999999999999 111.142 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -67.03 -33.75 76.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 75.129999999999995 110.884 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 7.0 m-85 -148.48 112.42 5.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 72.450000000000003 110.911 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -133.24 108.44 8.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 74.340000000000003 110.894 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -113.83 108.9 17.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 61.130000000000003 110.803 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -111.19 102.18 10.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 74.540000000000006 110.918 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 45.5 m -146.34 176.16 9.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 73.209999999999994 110.865 -179.771 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.59 -7.23 42.77 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 64.120000000000005 112.44 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.37 116.22 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 72.239999999999995 110.908 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.31 119.41 33.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 75.400000000000006 110.851 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 96.7 t -133.3 114.24 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 75.129999999999995 111.174 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 42.0 m170 -125.24 132.62 52.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 73.25 110.864 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -136.27 123.01 21.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 75.099999999999994 110.828 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -130.41 132.6 45.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 71.409999999999997 110.92 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -128.77 122.98 31.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 70.430000000000007 110.906 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -120.33 102.27 8.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 72.340000000000003 110.914 179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 60.4 t -105.9 115.8 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 73.340000000000003 111.158 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 19' ' ' PHE . . . . . 0.521 ' O ' ' C ' ' G' ' 20' ' ' PHE . 6.0 m-30 -101.08 99.71 10.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 71.150000000000006 110.894 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 20' ' ' PHE . . . . . 0.521 ' C ' ' O ' ' G' ' 19' ' ' PHE . 10.2 p90 27.45 79.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 75.010000000000005 110.844 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.3 149.99 27.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 54.329999999999998 111.054 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t0 64.47 66.82 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 73.310000000000002 110.875 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 3.6 p -110.3 143.2 20.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 64.540000000000006 111.141 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.48 -48.2 78.04 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 52.5 112.492 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 10.8 m -160.28 127.8 4.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 72.400000000000006 110.887 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -99.89 101.13 12.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 74.040000000000006 110.868 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.53 153.19 29.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 74.409999999999997 110.846 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.42 -132.5 22.97 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.735 -0.745 . . . . 72.310000000000002 112.489 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -107.46 113.97 27.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 63.450000000000003 111.118 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 31' ' ' ILE . . . . . 0.415 ' CD1' ' N ' ' G' ' 31' ' ' ILE . 0.0 OUTLIER -118.73 112.33 37.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 75.430000000000007 111.176 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -127.83 123.69 61.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 75.299999999999997 111.17 179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.01 -49.73 72.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 62.009999999999998 112.464 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 34' ' ' LEU . . . . . 0.614 ' N ' ' CD1' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -157.12 147.3 20.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.836 0.35 . . . . 74.310000000000002 110.915 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtp -131.07 123.19 28.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 74.230000000000004 110.855 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 85.9 t -134.61 112.43 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 74.340000000000003 111.168 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.38 18.64 69.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 72.340000000000003 112.47 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.22 -171.95 32.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.773 -0.727 . . . . 73.230000000000004 112.508 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 39' ' ' VAL . . . . . . . . . . . . . 14.8 p -168.08 149.47 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.885 0.374 . . . . 72.409999999999997 111.099 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 34.3 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 75.230000000000004 111.089 179.927 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.808 0.337 . . . . 72.200000000000003 110.857 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.97 102.47 6.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 71.030000000000001 111.091 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.58 -33.83 76.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 73.510000000000005 110.897 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 6.9 m-85 -148.77 112.28 5.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 75.030000000000001 110.904 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -131.64 108.11 9.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 74.209999999999994 110.838 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -115.08 108.81 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 75.200000000000003 110.854 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -111.2 102.1 10.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 75.010000000000005 110.874 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 45.7 m -145.86 175.65 10.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 72.409999999999997 110.86 -179.737 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.73 -7.41 41.98 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 54.109999999999999 112.485 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -172.34 115.57 0.33 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.839 0.352 . . . . 73.109999999999999 110.947 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.86 119.87 33.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 75.430000000000007 110.897 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 98.9 t -132.37 114.08 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 72.329999999999998 111.114 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 43.0 m170 -125.22 132.3 53.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 74.319999999999993 110.889 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -135.21 123.31 22.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 63.310000000000002 110.843 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -130.4 132.38 45.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 75.239999999999995 110.911 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -127.49 122.3 33.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 73.25 110.901 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 17' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -122.5 100.98 7.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 70.120000000000005 110.905 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 59.5 t -106.07 116.52 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 70.540000000000006 111.139 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 19' ' ' PHE . . . . . 0.521 ' O ' ' C ' ' H' ' 20' ' ' PHE . 4.5 m-30 -100.91 98.55 9.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 74.420000000000002 110.874 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' H' H ' 20' ' ' PHE . . . . . 0.521 ' C ' ' O ' ' H' ' 19' ' ' PHE . 10.4 p90 27.29 78.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 75.319999999999993 110.868 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.77 150.03 26.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 60.539999999999999 111.047 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 24.6 t0 64.01 67.21 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 73.409999999999997 110.884 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 3.3 p -110.19 142.5 22.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 75.120000000000005 111.113 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.62 -47.49 84.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.732 . . . . 64.310000000000002 112.466 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 10.9 m -160.23 126.94 4.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.935 0.398 . . . . 71.409999999999997 110.818 -179.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 21.7 m-20 -99.77 101.14 12.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 74.549999999999997 110.888 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.51 153.34 28.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 74.219999999999999 110.913 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.62 -133.19 23.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 51.100000000000001 112.509 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -106.42 113.84 27.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 74.040000000000006 111.041 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 31' ' ' ILE . . . . . 0.415 ' CD1' ' N ' ' H' ' 31' ' ' ILE . 0.0 OUTLIER -117.71 111.73 35.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 75.430000000000007 111.147 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -127.1 123.21 61.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 73.420000000000002 111.123 179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.19 -49.97 69.65 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 74.25 112.515 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 34' ' ' LEU . . . . . 0.626 ' CD1' ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -155.54 145.71 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 73.409999999999997 110.95 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtp -128.98 122.91 31.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 74.129999999999995 110.921 179.805 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 99.5 t -136.69 112.34 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 74.319999999999993 111.163 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.66 19.59 67.26 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 73.010000000000005 112.493 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.41 -171.58 33.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 71.120000000000005 112.448 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 39' ' ' VAL . . . . . . . . . . . . . 14.7 p -168.07 149.71 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.368 . . . . 71.329999999999998 111.123 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 36.0 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 75.510000000000005 111.135 179.928 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.838 0.352 . . . . 75.329999999999998 110.846 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.81 102.52 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 72.109999999999999 111.108 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.78 -33.87 76.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 73.349999999999994 110.919 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -148.55 111.85 4.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 74.439999999999998 110.881 -179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -130.39 108.09 9.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 75.530000000000001 110.88 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -117.28 108.66 15.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 73.209999999999994 110.842 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -110.39 102.26 10.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 73.239999999999995 110.859 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 45.0 m -146.31 174.36 11.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 71.329999999999998 110.844 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.47 -6.46 41.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.775 -0.726 . . . . 74.299999999999997 112.496 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.28 116.57 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 74.140000000000001 110.892 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.89 121.37 35.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 74.340000000000003 110.854 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 98.1 t -131.65 113.91 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 74.25 111.145 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 46.9 m170 -126.3 132.42 51.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 74.310000000000002 110.858 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -135.08 123.81 23.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 74.319999999999993 110.845 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -130.93 131.64 44.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 73.310000000000002 110.935 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -126.26 121.07 31.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 74.049999999999997 110.884 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 17' ' ' LEU . . . . . . . . . . . . . 4.1 mm? -124.91 100.3 6.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 75.140000000000001 110.924 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 59.5 t -106.23 118.06 53.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 74.209999999999994 111.098 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 19' ' ' PHE . . . . . 0.525 ' O ' ' C ' ' I' ' 20' ' ' PHE . 3.9 m-30 -100.54 97.48 8.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 74.439999999999998 110.883 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' I' I ' 20' ' ' PHE . . . . . 0.525 ' C ' ' O ' ' I' ' 19' ' ' PHE . 9.9 p90 27.1 77.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 74.409999999999997 110.844 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.13 149.6 26.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 71.530000000000001 111.102 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 25.4 t0 64.08 67.61 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 74.239999999999995 110.845 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 3.3 p -110.54 142.27 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 74.420000000000002 111.094 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.2 -46.96 91.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 62.329999999999998 112.521 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 10.2 m -160.45 125.96 3.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 70.109999999999999 110.876 -179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 24.7 m-20 -100.11 102.08 13.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 71.129999999999995 110.854 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.23 153.72 27.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 72.420000000000002 110.943 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.76 -133.92 23.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 73.310000000000002 112.509 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -105.62 113.51 27.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 60.299999999999997 111.071 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 31' ' ' ILE . . . . . 0.41 ' CD1' ' N ' ' I' ' 31' ' ' ILE . 0.0 OUTLIER -116.87 112.34 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 72.209999999999994 111.107 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -127.14 124.23 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 75.040000000000006 111.16 179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.84 -51.96 51.81 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.699 -0.762 . . . . 72.349999999999994 112.492 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 34' ' ' LEU . . . . . 0.635 ' N ' ' CD1' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -153.18 144.84 23.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.86 0.362 . . . . 73.120000000000005 110.925 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtp -128.85 122.38 30.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 75.409999999999997 110.887 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 96.6 t -137.01 111.37 9.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 73.010000000000005 111.147 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.85 20.38 66.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 74.310000000000002 112.491 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.99 -171.0 33.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.737 . . . . 73.230000000000004 112.465 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 39' ' ' VAL . . . . . . . . . . . . . 14.2 p -167.27 150.62 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 73.409999999999997 111.142 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 35.9 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 73.420000000000002 111.104 179.913 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.83 0.348 . . . . 73.340000000000003 110.883 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.03 102.23 6.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 73.540000000000006 111.105 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -65.38 -34.02 77.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 73.530000000000001 110.858 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -148.52 113.73 5.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 72.129999999999995 110.877 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -130.35 107.08 8.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 74.319999999999993 110.894 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -118.55 108.68 15.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 72.510000000000005 110.886 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -108.55 101.82 10.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 73.340000000000003 110.872 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 45.4 m -148.14 169.63 19.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 75.209999999999994 110.876 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.26 -5.98 45.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.704 -0.76 . . . . 51.299999999999997 112.44 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -171.88 115.21 0.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 72.519999999999996 110.959 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.33 123.13 37.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 74.140000000000001 110.874 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 91.3 t -130.07 115.03 31.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 73.040000000000006 111.106 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 46.1 m170 -125.79 133.42 52.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 73.329999999999998 110.867 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -134.29 124.25 25.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 74.109999999999999 110.86 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -132.54 132.66 42.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 75.340000000000003 110.925 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 10.7 tttp -126.76 121.1 31.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 72.120000000000005 110.942 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' J' J ' 17' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -127.72 100.25 5.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 75.400000000000006 110.903 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 59.5 t -104.9 119.62 54.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 70.129999999999995 111.133 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' J' J ' 19' ' ' PHE . . . . . 0.509 ' O ' ' C ' ' J' ' 20' ' ' PHE . 3.5 m-30 -102.54 96.4 6.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 75.549999999999997 110.864 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' J' J ' 20' ' ' PHE . . . . . 0.509 ' C ' ' O ' ' J' ' 19' ' ' PHE . 12.2 p90 28.98 74.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 73.329999999999998 110.899 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.52 146.75 28.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 74.120000000000005 111.101 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 24.4 t0 62.72 68.95 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 72.129999999999995 110.886 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 3.9 p -110.32 141.2 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 75.530000000000001 111.1 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.91 -47.07 91.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 71.409999999999997 112.484 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 11.0 m -160.39 125.14 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.362 . . . . 52.409999999999997 110.847 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 24.1 m-20 -100.29 102.49 13.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 72.409999999999997 110.937 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.58 152.88 29.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 74.439999999999998 110.871 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' J' J ' 29' ' ' GLY . . . . . 0.404 ' HA2' ' HA ' ' E' ' 3' ' ' GLU . . . 71.78 -135.54 23.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 73.099999999999994 112.491 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' J' J ' 30' ' ' ALA . . . . . . . . . . . . . . . -102.9 113.44 26.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.787 0.327 . . . . 65.430000000000007 111.098 179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER -115.32 113.94 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 74.209999999999994 111.107 -179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -128.67 121.0 53.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 73.319999999999993 111.108 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.03 -48.76 81.2 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 61.520000000000003 112.44 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' J' J ' 34' ' ' LEU . . . . . 0.609 ' N ' ' CD1' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -152.92 147.8 26.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.828 0.347 . . . . 72.319999999999993 110.899 -179.9 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtp -133.6 120.27 20.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 70.209999999999994 110.873 179.875 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 94.8 t -138.08 111.63 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 74.230000000000004 111.117 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.81 20.84 62.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 70.310000000000002 112.464 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.93 -171.31 35.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.723 -0.751 . . . . 72.25 112.509 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' J' J ' 39' ' ' VAL . . . . . . . . . . . . . 14.6 p -167.1 149.66 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 73.439999999999998 111.094 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 31.2 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 73.120000000000005 111.145 179.899 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.824 0.345 . . . . 75.439999999999998 110.875 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.03 77.35 3.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 73.409999999999997 111.076 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.404 ' CB ' ' HA2' ' F' ' 29' ' ' GLY . 0.2 OUTLIER -51.87 -43.18 63.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 72.219999999999999 110.866 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.415 ' CE1' ' HB3' ' F' ' 30' ' ' ALA . 0.3 OUTLIER -168.76 116.51 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 72.230000000000004 110.904 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -111.45 108.48 18.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 75.430000000000007 110.853 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -98.1 109.34 22.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 73.230000000000004 110.85 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -118.08 101.44 8.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 65.319999999999993 110.871 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.8 m -149.46 175.93 11.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 72.530000000000001 110.812 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.57 -9.2 33.69 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.777 -0.725 . . . . 63.350000000000001 112.502 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.34 114.75 0.31 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.887 0.375 . . . . 72.420000000000002 110.965 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -107.0 119.84 40.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 74.430000000000007 110.904 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.0 t -126.13 113.27 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 75.329999999999998 111.175 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -115.12 114.51 25.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 74.319999999999993 110.84 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -130.41 126.01 35.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 72.340000000000003 110.847 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.418 ' OE1' HG12 ' F' ' 39' ' ' VAL . 19.1 pt20 -123.92 134.2 53.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 64.510000000000005 110.922 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.437 ' O ' HD22 ' A' ' 17' ' ' LEU . 6.7 tptm -124.87 121.77 35.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 52.140000000000001 110.872 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.657 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.5 mm? -122.91 102.06 7.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 55.210000000000001 110.885 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.504 HG12 ' HB2' ' A' ' 21' ' ' ALA . 66.4 t -111.77 117.03 54.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 63.450000000000003 111.161 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.608 ' CE2' HD23 ' B' ' 34' ' ' LEU . 4.6 m-85 -113.69 137.74 51.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 60.229999999999997 110.899 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.455 ' HZ ' HG22 ' A' ' 31' ' ' ILE . 1.7 m-85 63.25 53.81 2.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 74.349999999999994 110.882 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.504 ' HB2' HG12 ' A' ' 18' ' ' VAL . . . -93.15 108.87 20.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 31.32 111.079 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 53.1 t0 63.57 103.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 75.439999999999998 110.891 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.511 HG11 ' OD1' ' A' ' 27' ' ' ASN . 21.3 t -131.39 133.75 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 72.219999999999999 111.159 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.2 -40.55 81.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 63.329999999999998 112.491 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.75 125.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.856 0.36 . . . . 55.229999999999997 110.887 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.511 ' OD1' HG11 ' A' ' 24' ' ' VAL . 81.3 m-20 -102.77 111.01 23.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 62.32 110.874 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -113.42 165.01 12.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 74.239999999999995 110.903 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.94 -133.74 27.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 71.409999999999997 112.503 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.677 ' O ' HD13 ' A' ' 31' ' ' ILE . . . -97.16 117.39 31.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.702 0.286 . . . . 75.530000000000001 111.129 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.677 HD13 ' O ' ' A' ' 30' ' ' ALA . 25.7 mm -129.68 131.73 66.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 51.030000000000001 111.117 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.611 HG21 ' HB2' ' A' ' 35' ' ' MET . 2.9 mp -125.89 112.46 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.129999999999995 111.133 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.65 -17.83 79.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 64.329999999999998 112.448 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.723 HD12 HD22 ' B' ' 34' ' ' LEU . 3.0 tm? -171.73 109.65 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.822 0.344 . . . . 65.420000000000002 110.914 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.611 ' HB2' HG21 ' A' ' 32' ' ' ILE . 2.4 ttp -117.29 125.18 50.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 71.349999999999994 110.844 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.46 HG23 ' CD1' ' A' ' 34' ' ' LEU . 58.0 t -122.46 112.64 35.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 75.420000000000002 111.143 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.74 30.63 44.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.756 . . . . 51.240000000000002 112.477 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.15 -178.91 21.39 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 72.329999999999998 112.506 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.877 HG13 HG23 ' B' ' 39' ' ' VAL . 5.9 p -157.88 140.01 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.372 . . . . 64.129999999999995 111.154 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.594 HG12 HG22 ' B' ' 40' ' ' VAL . 19.1 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 63.509999999999998 111.17 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.861 0.362 . . . . 64.540000000000006 110.824 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.86 80.05 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 65.219999999999999 111.089 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.63 -37.15 26.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 60.240000000000002 110.87 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.42 ' CE1' ' HB3' ' G' ' 30' ' ' ALA . 0.3 OUTLIER -168.59 116.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 60.32 110.887 -179.878 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -112.04 108.36 17.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 71.329999999999998 110.853 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 6' ' ' HIS . . . . . 0.407 ' CE1' ' HG3' ' B' ' 11' ' ' GLU . 22.8 t-80 -97.75 109.51 22.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 62.420000000000002 110.873 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -117.25 101.1 8.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 61.240000000000002 110.851 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -148.65 175.6 11.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 64.409999999999997 110.848 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.2 -9.62 33.61 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.693 -0.765 . . . . 74.219999999999999 112.465 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.51 114.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 74.329999999999998 110.862 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.407 ' HG3' ' CE1' ' B' ' 6' ' ' HIS . 2.9 tt0 -106.75 119.52 39.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 72.319999999999993 110.916 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -125.25 113.31 34.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 62.149999999999999 111.164 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 54.8 m170 -115.58 115.68 26.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 63.229999999999997 110.827 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -131.09 127.61 38.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 65.140000000000001 110.912 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.422 ' OE1' HG12 ' G' ' 39' ' ' VAL . 19.6 pt20 -125.06 134.06 52.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 62.240000000000002 110.921 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.527 ' O ' HD22 ' B' ' 17' ' ' LEU . 6.7 tptm -124.29 122.65 38.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 75.530000000000001 110.928 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.657 HD13 ' HB2' ' A' ' 17' ' ' LEU . 4.5 mm? -125.34 101.68 7.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 74.409999999999997 110.927 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.518 HG12 ' HB2' ' B' ' 21' ' ' ALA . 60.9 t -110.58 118.1 56.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 60.350000000000001 111.126 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.659 ' CE2' HD23 ' C' ' 34' ' ' LEU . 3.7 m-85 -113.52 134.01 54.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 71.340000000000003 110.863 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.504 ' HZ ' HG22 ' B' ' 31' ' ' ILE . 2.9 m-85 62.39 57.44 1.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 63.450000000000003 110.901 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.518 ' HB2' HG12 ' B' ' 18' ' ' VAL . . . -94.27 107.62 19.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 74.140000000000001 111.076 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 52.8 t0 62.84 104.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 52.219999999999999 110.898 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.476 HG11 ' ND2' ' B' ' 27' ' ' ASN . 21.2 t -130.83 134.01 62.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 72.310000000000002 111.09 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.59 -41.75 83.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.738 -0.744 . . . . 75.230000000000004 112.484 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.58 122.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 75.209999999999994 110.87 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.476 ' ND2' HG11 ' B' ' 24' ' ' VAL . 80.3 m-20 -102.15 112.04 24.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 53.520000000000003 110.924 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -112.31 165.57 12.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 73.540000000000006 110.913 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.95 -133.08 28.04 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 34.43 112.473 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.728 ' O ' HD13 ' B' ' 31' ' ' ILE . . . -97.19 119.11 35.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.745 0.307 . . . . 52.130000000000003 111.093 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.728 HD13 ' O ' ' B' ' 30' ' ' ALA . 25.9 mm -130.71 129.95 64.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 74.109999999999999 111.129 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.611 HG21 ' HB2' ' B' ' 35' ' ' MET . 2.9 mp -124.7 113.22 35.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 75.129999999999995 111.118 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.8 -15.23 78.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.73 -0.748 . . . . 45.32 112.522 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.87 HD12 HD22 ' C' ' 34' ' ' LEU . 3.2 tm? -171.28 108.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 73.140000000000001 110.877 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.611 ' HB2' HG21 ' B' ' 32' ' ' ILE . 2.5 ttp -118.04 123.9 46.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 75.450000000000003 110.846 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.434 HG23 ' CD1' ' B' ' 34' ' ' LEU . 63.3 t -122.52 112.96 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 60.109999999999999 111.112 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.21 31.75 34.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 54.210000000000001 112.479 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.97 -178.79 21.49 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 35.100000000000001 112.499 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.885 HG13 HG23 ' C' ' 39' ' ' VAL . 5.1 p -157.4 138.86 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.953 0.406 . . . . 74.25 111.058 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.594 HG22 HG12 ' A' ' 40' ' ' VAL . 19.3 m . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 60.340000000000003 111.129 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.836 0.35 . . . . 64.540000000000006 110.836 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.23 78.92 3.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 51.229999999999997 111.118 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.52 -35.88 31.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 65.530000000000001 110.841 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -169.42 116.59 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 73.25 110.894 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -112.19 107.41 16.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 73.150000000000006 110.869 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 6' ' ' HIS . . . . . 0.407 ' CE1' ' HG3' ' C' ' 11' ' ' GLU . 20.9 t-80 -96.48 109.36 21.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 73.239999999999995 110.802 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -118.56 100.44 7.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 71.150000000000006 110.879 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -148.4 175.64 10.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 71.519999999999996 110.895 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.77 -9.96 33.88 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.706 -0.759 . . . . 32.520000000000003 112.477 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 10' ' ' TYR . . . . . 0.402 ' CE1' HG22 ' C' ' 12' ' ' VAL . 1.0 OUTLIER -172.49 115.0 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 65.340000000000003 110.925 -179.83 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' C' C ' 11' ' ' GLU . . . . . 0.407 ' HG3' ' CE1' ' C' ' 6' ' ' HIS . 3.1 tt0 -107.29 119.67 40.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 74.349999999999994 110.912 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.402 HG22 ' CE1' ' C' ' 10' ' ' TYR . 21.3 t -124.93 113.46 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.109999999999999 111.167 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -115.87 114.81 25.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 64.120000000000005 110.873 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -129.8 128.22 41.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 75.219999999999999 110.847 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 15' ' ' GLN . . . . . 0.507 ' OE1' HG12 ' H' ' 39' ' ' VAL . 19.4 pt20 -126.35 133.78 51.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 63.439999999999998 110.96 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.591 ' O ' HD22 ' C' ' 17' ' ' LEU . 6.4 tptm -123.71 124.06 41.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 62.340000000000003 110.875 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.639 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.5 mm? -127.52 102.39 6.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 73.310000000000002 110.921 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.555 ' CG1' ' HB2' ' C' ' 21' ' ' ALA . 58.0 t -111.04 119.63 60.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 73.319999999999993 111.122 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.682 ' CE2' HD23 ' D' ' 34' ' ' LEU . 3.0 m-85 -112.78 132.82 55.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 65.510000000000005 110.854 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.492 ' CZ ' HG22 ' C' ' 31' ' ' ILE . 3.5 m-85 60.87 59.48 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 53.020000000000003 110.907 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 0.555 ' HB2' ' CG1' ' C' ' 18' ' ' VAL . . . -94.95 107.45 19.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 62.409999999999997 111.082 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 52.0 t0 62.15 102.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 64.329999999999998 110.907 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.5 HG11 ' ND2' ' C' ' 27' ' ' ASN . 21.5 t -129.5 133.97 64.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 63.450000000000003 111.099 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.99 -42.05 86.09 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.768 -0.73 . . . . 75.430000000000007 112.493 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.54 122.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 44.240000000000002 110.871 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.5 ' ND2' HG11 ' C' ' 24' ' ' VAL . 79.6 m-20 -102.33 112.71 25.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 72.540000000000006 110.904 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.401 ' O ' HD11 ' C' ' 31' ' ' ILE . 1.1 tptp -112.58 165.66 12.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 55.109999999999999 110.904 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.86 -133.56 27.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.714 -0.755 . . . . 64.230000000000004 112.493 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.728 ' O ' HD13 ' C' ' 31' ' ' ILE . . . -96.94 118.91 34.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.756 0.312 . . . . 44.210000000000001 111.089 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.728 HD13 ' O ' ' C' ' 30' ' ' ALA . 25.9 mm -130.45 128.82 64.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 64.310000000000002 111.104 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.59 HG21 ' HB2' ' C' ' 35' ' ' MET . 3.0 mp -123.92 112.12 31.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 74.519999999999996 111.172 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -82.71 -13.24 78.51 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 54.020000000000003 112.518 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.941 HD12 HD22 ' D' ' 34' ' ' LEU . 3.3 tm? -169.76 107.47 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.801 0.334 . . . . 71.319999999999993 110.89 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.59 ' HB2' HG21 ' C' ' 32' ' ' ILE . 2.5 ttp -118.66 123.26 44.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 72.319999999999993 110.851 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.403 HG23 ' CD1' ' C' ' 34' ' ' LEU . 68.3 t -123.58 111.93 31.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 62.350000000000001 111.161 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.74 31.69 31.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.759 -0.734 . . . . 72.340000000000003 112.48 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.4 -178.84 21.85 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 71.510000000000005 112.489 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.912 HG13 HG23 ' D' ' 39' ' ' VAL . 4.4 p -156.89 139.01 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.877 0.37 . . . . 53.43 111.107 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.547 HG22 HG12 ' B' ' 40' ' ' VAL . 19.0 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 71.430000000000007 111.128 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.819 0.343 . . . . 74.319999999999993 110.865 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.02 81.08 3.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 73.109999999999999 111.113 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.24 -37.27 34.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 73.450000000000003 110.892 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -169.43 116.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 45.420000000000002 110.866 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -111.33 107.55 16.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 43.130000000000003 110.866 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -96.26 108.85 21.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 44.009999999999998 110.825 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -118.17 100.45 7.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 75.239999999999995 110.846 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -147.64 175.31 10.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 74.129999999999995 110.866 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.76 -10.42 35.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 45.119999999999997 112.505 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.56 114.69 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 65.420000000000002 110.97 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -107.16 120.03 41.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 74.420000000000002 110.838 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.74 113.44 36.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 73.319999999999993 111.133 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 53.7 m170 -115.98 114.93 25.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 72.409999999999997 110.876 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -130.1 129.52 43.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 75.519999999999996 110.874 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 15' ' ' GLN . . . . . 0.562 ' OE1' HG12 ' I' ' 39' ' ' VAL . 19.2 pt20 -127.4 134.66 49.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 74.120000000000005 110.917 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 16' ' ' LYS . . . . . 0.65 ' O ' HD22 ' D' ' 17' ' ' LEU . 6.6 tptm -123.77 123.21 39.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 71.120000000000005 110.915 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.65 HD22 ' O ' ' D' ' 16' ' ' LYS . 4.5 mm? -128.84 102.88 6.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 74.140000000000001 110.913 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.568 ' CG1' ' HB2' ' D' ' 21' ' ' ALA . 57.3 t -112.21 121.81 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 71.519999999999996 111.149 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.642 ' CE2' HD23 ' E' ' 34' ' ' LEU . 2.2 m-85 -112.06 132.16 55.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 74.230000000000004 110.909 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.455 ' CZ ' HG22 ' D' ' 31' ' ' ILE . 4.0 m-85 59.75 60.86 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 54.119999999999997 110.904 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 21' ' ' ALA . . . . . 0.568 ' HB2' ' CG1' ' D' ' 18' ' ' VAL . . . -95.54 107.3 19.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 72.340000000000003 111.113 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 51.6 t0 61.73 102.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 73.120000000000005 110.869 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.468 HG11 ' OD1' ' D' ' 27' ' ' ASN . 21.9 t -129.68 134.66 62.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 52.109999999999999 111.167 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.3 -42.78 90.02 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 71.109999999999999 112.512 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.81 121.96 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.916 0.389 . . . . 62.520000000000003 110.834 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.468 ' OD1' HG11 ' D' ' 24' ' ' VAL . 81.0 m-20 -101.72 112.85 25.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 52.020000000000003 110.878 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.66 165.54 12.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 52.329999999999998 110.924 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.33 -132.72 29.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 60.539999999999999 112.447 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.737 ' O ' HD13 ' D' ' 31' ' ' ILE . . . -97.93 118.42 34.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 65.409999999999997 111.048 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.737 HD13 ' O ' ' D' ' 30' ' ' ALA . 25.2 mm -130.63 128.41 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 65.140000000000001 111.142 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.557 HG21 ' HB2' ' D' ' 35' ' ' MET . 3.0 mp -124.1 112.08 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 63.450000000000003 111.127 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.52 -11.84 76.75 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 64.209999999999994 112.506 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.941 HD22 HD12 ' C' ' 34' ' ' LEU . 3.4 tm? -168.06 106.8 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 64.140000000000001 110.919 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.557 ' HB2' HG21 ' D' ' 32' ' ' ILE . 2.5 ttp -120.02 122.65 41.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 72.310000000000002 110.898 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 67.8 t -124.78 111.65 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 72.450000000000003 111.14 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.92 31.47 32.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 52.450000000000003 112.433 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.63 -178.23 21.74 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 60.229999999999997 112.481 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.912 HG23 HG13 ' C' ' 39' ' ' VAL . 4.5 p -157.21 139.57 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 61.420000000000002 111.168 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.523 HG22 HG12 ' C' ' 40' ' ' VAL . 19.2 m . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 63.130000000000003 111.145 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.84 0.352 . . . . 44.119999999999997 110.866 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.48 80.13 3.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 42.039999999999999 111.118 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.16 -39.29 56.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 73.109999999999999 110.863 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -168.67 117.65 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 72.219999999999999 110.867 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -110.85 107.83 17.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 75.430000000000007 110.887 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -94.52 109.12 21.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 65.420000000000002 110.832 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -118.02 99.83 7.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 73.25 110.859 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -149.08 173.58 13.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 55.210000000000001 110.9 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.67 -9.29 38.27 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 75.120000000000005 112.482 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.23 113.37 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.83 0.348 . . . . 54.039999999999999 110.934 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -107.81 120.36 42.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 75.150000000000006 110.886 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.7 114.28 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 61.140000000000001 111.145 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 57.4 m170 -116.18 114.07 23.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 62.32 110.85 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -129.12 131.33 47.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 73.329999999999998 110.835 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 15' ' ' GLN . . . . . 0.508 ' OE1' HG12 ' J' ' 39' ' ' VAL . 19.6 pt20 -129.54 136.22 49.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 74.340000000000003 110.899 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 16' ' ' LYS . . . . . 0.664 ' O ' HD22 ' E' ' 17' ' ' LEU . 6.8 tptm -123.99 122.76 38.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 61.130000000000003 110.952 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.664 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.4 mm? -129.46 102.17 6.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 73.129999999999995 110.921 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.696 ' CG1' ' HB2' ' E' ' 21' ' ' ALA . 59.0 t -110.42 122.5 65.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 61.530000000000001 111.143 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.444 ' HE1' HD12 ' E' ' 17' ' ' LEU . 2.1 m-85 -111.45 129.85 55.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 65.409999999999997 110.903 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 58.77 60.53 2.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 64.439999999999998 110.832 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 21' ' ' ALA . . . . . 0.696 ' HB2' ' CG1' ' E' ' 18' ' ' VAL . . . -94.93 107.5 19.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 73.25 111.1 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 52.4 t0 61.52 104.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 71.319999999999993 110.851 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.499 HG11 ' ND2' ' E' ' 27' ' ' ASN . 22.0 t -130.84 134.2 62.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 64.209999999999994 111.129 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.16 -43.02 90.91 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.733 -0.746 . . . . 72.409999999999997 112.516 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.99 121.74 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.37 . . . . 71.430000000000007 110.832 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.499 ' ND2' HG11 ' E' ' 24' ' ' VAL . 81.8 m-20 -101.54 114.28 28.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 75.549999999999997 110.873 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -113.51 164.32 13.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 73.450000000000003 110.92 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.04 -131.75 28.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 75.129999999999995 112.49 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.732 ' O ' HD13 ' E' ' 31' ' ' ILE . . . -97.86 118.4 34.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.746 0.308 . . . . 60.539999999999999 111.094 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.732 HD13 ' O ' ' E' ' 30' ' ' ALA . 27.6 mm -130.88 127.04 60.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 64.219999999999999 111.146 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.489 HG21 ' HB2' ' E' ' 35' ' ' MET . 3.1 mp -125.07 111.96 29.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 64.409999999999997 111.166 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.31 -10.21 71.48 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.718 -0.753 . . . . 74.209999999999994 112.477 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.909 HD22 HD12 ' D' ' 34' ' ' LEU . 3.4 tm? -164.82 105.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 74.140000000000001 110.883 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.489 ' HB2' HG21 ' E' ' 32' ' ' ILE . 2.4 ttp -122.33 123.11 40.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 74.239999999999995 110.904 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 72.4 t -127.35 111.31 24.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 53.219999999999999 111.161 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.52 30.96 35.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.765 -0.731 . . . . 53.119999999999997 112.47 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.24 -178.41 21.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 31.399999999999999 112.477 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.911 HG23 HG13 ' D' ' 39' ' ' VAL . 5.4 p -157.0 138.95 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 64.239999999999995 111.145 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.481 HG22 HG12 ' D' ' 40' ' ' VAL . 19.4 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 75.329999999999998 111.106 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.849 0.356 . . . . 54.450000000000003 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.64 72.06 7.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 64.450000000000003 111.043 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.83 -43.12 63.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 72.109999999999999 110.895 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -167.58 115.58 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.340000000000003 110.865 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -116.19 111.49 20.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 72.25 110.85 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 61.4 t60 -97.37 110.23 22.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 71.239999999999995 110.89 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -115.7 103.84 11.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 74.530000000000001 110.885 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -149.23 175.11 11.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 65.230000000000004 110.83 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.28 -10.42 31.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 52.130000000000003 112.446 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.32 114.49 0.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 61.240000000000002 110.926 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -107.28 120.08 41.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.498 . . . . 52.329999999999998 110.871 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 21.2 t -126.7 113.45 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 65.549999999999997 111.112 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -115.43 117.52 30.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 73.430000000000007 110.893 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -131.82 126.62 34.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 63.539999999999999 110.862 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -124.63 133.63 53.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 33.240000000000002 110.923 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 16' ' ' LYS . . . . . 0.453 ' O ' HD22 ' F' ' 17' ' ' LEU . 6.9 tptm -124.82 120.21 31.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 73.349999999999994 110.899 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.593 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.4 mm? -122.85 101.67 7.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 71.430000000000007 110.925 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.512 HG12 ' HB2' ' F' ' 21' ' ' ALA . 63.4 t -112.7 117.95 56.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 73.439999999999998 111.095 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.6 ' CE2' HD23 ' G' ' 34' ' ' LEU . 4.8 m-85 -112.34 138.69 48.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 52.240000000000002 110.895 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 20' ' ' PHE . . . . . 0.422 ' HZ ' HG22 ' F' ' 31' ' ' ILE . 1.6 m-85 63.05 52.57 2.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 72.530000000000001 110.837 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 21' ' ' ALA . . . . . 0.512 ' HB2' HG12 ' F' ' 18' ' ' VAL . . . -92.94 110.89 22.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 52.450000000000003 111.056 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 51.1 t0 63.18 102.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 75.140000000000001 110.896 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.6 HG11 ' ND2' ' F' ' 27' ' ' ASN . 31.0 t -131.34 130.67 63.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 54.43 111.111 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.39 -40.52 94.54 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 31.219999999999999 112.503 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.56 122.52 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.906 0.384 . . . . 64.120000000000005 110.856 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 27' ' ' ASN . . . . . 0.6 ' ND2' HG11 ' F' ' 24' ' ' VAL . 25.2 m120 -99.06 110.05 22.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 65.310000000000002 110.884 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 28' ' ' LYS . . . . . 0.417 ' O ' HD11 ' F' ' 31' ' ' ILE . 0.9 OUTLIER -112.87 163.92 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 63.240000000000002 110.871 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' F' F ' 29' ' ' GLY . . . . . 0.404 ' HA2' ' CB ' ' A' ' 3' ' ' GLU . . . 50.17 -139.69 19.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.681 -0.771 . . . . 53.32 112.523 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.681 ' O ' HD13 ' F' ' 31' ' ' ILE . . . -91.28 118.48 30.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.764 0.316 . . . . 72.439999999999998 111.07 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.681 HD13 ' O ' ' F' ' 30' ' ' ALA . 26.1 mm -130.53 136.06 59.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 75.319999999999993 111.154 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.623 HG21 ' HB2' ' F' ' 35' ' ' MET . 2.9 mp -126.59 112.75 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 75.409999999999997 111.082 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.35 -20.54 78.75 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 52.329999999999998 112.47 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.643 HD12 HD22 ' G' ' 34' ' ' LEU . 3.0 tm? -172.11 113.01 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 73.430000000000007 110.864 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 35' ' ' MET . . . . . 0.623 ' HB2' HG21 ' F' ' 32' ' ' ILE . 2.8 ttp -119.1 123.82 45.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 65.450000000000003 110.897 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.545 HG23 ' CD1' ' F' ' 34' ' ' LEU . 58.1 t -122.18 114.2 41.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 73.540000000000006 111.155 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.06 30.23 37.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 60.310000000000002 112.461 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.74 -178.13 21.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 53.049999999999997 112.514 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.845 HG13 HG23 ' G' ' 39' ' ' VAL . 5.3 p -157.64 140.41 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.358 . . . . 75.25 111.113 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.445 HG12 HG22 ' G' ' 40' ' ' VAL . 18.8 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 71.430000000000007 111.104 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.789 0.328 . . . . 74.140000000000001 110.881 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.33 72.3 8.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 54.340000000000003 111.1 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.46 -40.41 50.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 60.32 110.897 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.29 115.1 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 73.439999999999998 110.909 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -116.53 110.85 19.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 75.409999999999997 110.848 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -95.94 109.33 21.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 74.109999999999999 110.835 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -115.31 102.11 9.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 71.129999999999995 110.877 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -147.85 174.63 11.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 60.420000000000002 110.864 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.74 -10.58 32.56 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.741 . . . . 60.43 112.481 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.5 114.4 0.29 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.852 0.358 . . . . 71.239999999999995 110.9 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -106.9 119.86 40.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 73.409999999999997 110.884 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -125.67 113.47 34.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 74.219999999999999 111.115 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 55.0 m170 -115.89 117.79 31.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 60.43 110.856 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -131.61 127.7 37.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 75.319999999999993 110.895 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 15' ' ' GLN . . . . . 0.46 ' OE1' HG12 ' B' ' 39' ' ' VAL . 19.2 pt20 -125.94 133.22 51.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 74.319999999999993 110.896 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 16' ' ' LYS . . . . . 0.561 ' O ' HD22 ' G' ' 17' ' ' LEU . 6.8 tptm -124.51 122.73 38.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 61.229999999999997 110.886 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.593 HD13 ' HB2' ' F' ' 17' ' ' LEU . 4.5 mm? -125.95 102.38 7.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 72.409999999999997 110.937 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.556 ' CG1' ' HB2' ' G' ' 21' ' ' ALA . 57.6 t -112.19 118.92 58.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 74.349999999999994 111.117 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.633 ' CE2' HD23 ' H' ' 34' ' ' LEU . 3.7 m-85 -112.78 134.02 54.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 72.120000000000005 110.87 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 0.454 ' HZ ' HG22 ' G' ' 31' ' ' ILE . 2.6 m-85 63.04 55.13 2.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 74.530000000000001 110.866 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 21' ' ' ALA . . . . . 0.556 ' HB2' ' CG1' ' G' ' 18' ' ' VAL . . . -92.59 108.45 19.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 75.230000000000004 111.057 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 52.5 t0 62.54 103.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 62.420000000000002 110.888 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.5 HG11 ' ND2' ' G' ' 27' ' ' ASN . 22.0 t -130.61 132.38 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 64.340000000000003 111.12 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.32 -41.79 94.39 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.724 . . . . 24.420000000000002 112.512 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.52 121.28 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.371 . . . . 44.119999999999997 110.849 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 27' ' ' ASN . . . . . 0.5 ' ND2' HG11 ' G' ' 24' ' ' VAL . 79.1 m-20 -99.9 111.15 23.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 75.109999999999999 110.887 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 28' ' ' LYS . . . . . 0.415 ' O ' HD11 ' G' ' 31' ' ' ILE . 1.0 OUTLIER -111.86 164.33 13.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 73.530000000000001 110.91 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.43 -137.58 24.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 40.310000000000002 112.505 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.74 ' O ' HD13 ' G' ' 31' ' ' ILE . . . -93.32 120.39 33.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.79 0.328 . . . . 64.519999999999996 111.096 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.74 HD13 ' O ' ' G' ' 30' ' ' ALA . 25.4 mm -131.76 134.39 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 75.329999999999998 111.149 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.614 HG21 ' HB2' ' G' ' 35' ' ' MET . 2.8 mp -124.28 112.67 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 74.310000000000002 111.158 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.22 -18.92 73.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.698 -0.763 . . . . 63.229999999999997 112.536 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.865 HD12 HD22 ' H' ' 34' ' ' LEU . 3.3 tm? -171.19 112.25 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 73.510000000000005 110.905 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.614 ' HB2' HG21 ' G' ' 32' ' ' ILE . 2.5 ttp -119.89 123.33 43.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 74.510000000000005 110.832 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.506 HG23 ' CD1' ' G' ' 34' ' ' LEU . 64.2 t -122.83 113.54 38.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 41.119999999999997 111.102 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.72 30.75 29.07 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 40.140000000000001 112.476 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.94 -178.28 21.54 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 61.149999999999999 112.487 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.904 HG13 HG23 ' H' ' 39' ' ' VAL . 4.3 p -157.1 140.36 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.857 0.361 . . . . 75.140000000000001 111.151 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.471 HG12 HG22 ' H' ' 40' ' ' VAL . 18.3 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.209999999999994 111.168 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 1' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' I' ' 2' ' ' ALA . 41.2 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.81 0.338 . . . . 72.209999999999994 110.864 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.81 71.62 9.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 63.420000000000002 111.134 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.51 -41.22 53.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 75.239999999999995 110.887 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.59 114.88 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 63.509999999999998 110.887 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -116.53 110.42 18.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 74.340000000000003 110.842 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -94.7 109.5 21.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 74.340000000000003 110.853 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -116.12 101.82 9.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 64.420000000000002 110.852 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -147.2 174.84 11.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 71.510000000000005 110.851 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.06 -10.18 32.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 60.340000000000003 112.489 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.36 113.8 0.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 74.310000000000002 110.959 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -106.98 119.84 40.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 65.530000000000001 110.909 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.03 113.56 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 73.219999999999999 111.139 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -116.15 116.74 28.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 73.239999999999995 110.856 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -130.77 127.85 39.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 71.239999999999995 110.845 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 15' ' ' GLN . . . . . 0.612 ' OE1' HG12 ' C' ' 39' ' ' VAL . 19.4 pt20 -127.15 133.05 50.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 75.409999999999997 110.912 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 16' ' ' LYS . . . . . 0.617 ' O ' HD22 ' H' ' 17' ' ' LEU . 6.7 tptm -123.91 123.69 40.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 71.420000000000002 110.935 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.617 HD22 ' O ' ' H' ' 16' ' ' LYS . 4.5 mm? -127.53 103.21 7.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 75.439999999999998 110.914 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.607 ' CG1' ' HB2' ' H' ' 21' ' ' ALA . 57.6 t -112.99 121.33 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 71.439999999999998 111.148 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.677 ' CE2' HD23 ' I' ' 34' ' ' LEU . 3.0 m-85 -112.91 132.81 55.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 75.209999999999994 110.882 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 20' ' ' PHE . . . . . 0.461 ' HZ ' HG22 ' H' ' 31' ' ' ILE . 3.6 m-85 61.61 56.58 2.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 72.450000000000003 110.888 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 21' ' ' ALA . . . . . 0.607 ' HB2' ' CG1' ' H' ' 18' ' ' VAL . . . -93.02 107.97 19.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 75.510000000000005 111.119 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 52.0 t0 62.1 103.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 61.210000000000001 110.887 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 24' ' ' VAL . . . . . 0.475 HG11 ' OD1' ' H' ' 27' ' ' ASN . 22.7 t -130.38 133.17 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 51.539999999999999 111.129 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.18 -41.94 96.66 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 71.430000000000007 112.504 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.65 121.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.91 0.385 . . . . 61.219999999999999 110.872 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 27' ' ' ASN . . . . . 0.475 ' OD1' HG11 ' H' ' 24' ' ' VAL . 79.7 m-20 -99.94 111.13 23.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 75.230000000000004 110.898 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 28' ' ' LYS . . . . . 0.415 ' O ' HD11 ' H' ' 31' ' ' ILE . 1.0 OUTLIER -111.82 164.05 13.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 64.129999999999995 110.897 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.97 -138.06 26.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 63.109999999999999 112.447 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 30' ' ' ALA . . . . . 0.736 ' O ' HD13 ' H' ' 31' ' ' ILE . . . -92.85 119.65 32.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 71.25 111.063 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.736 HD13 ' O ' ' H' ' 30' ' ' ALA . 25.8 mm -131.53 133.33 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 54.109999999999999 111.098 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 32' ' ' ILE . . . . . 0.599 HG21 ' HB2' ' H' ' 35' ' ' MET . 2.8 mp -123.04 111.94 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 71.549999999999997 111.105 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.75 -16.1 73.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 61.149999999999999 112.483 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.953 HD12 HD22 ' I' ' 34' ' ' LEU . 3.3 tm? -170.74 110.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.832 0.349 . . . . 40.130000000000003 110.897 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 35' ' ' MET . . . . . 0.599 ' HB2' HG21 ' H' ' 32' ' ' ILE . 2.5 ttp -119.86 122.93 42.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 72.230000000000004 110.856 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.461 HG23 ' CD1' ' H' ' 34' ' ' LEU . 66.1 t -124.13 112.39 32.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 65.209999999999994 111.134 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.45 30.13 25.51 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.753 -0.737 . . . . 53.219999999999999 112.476 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.54 -178.09 22.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.75 . . . . 71.120000000000005 112.499 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.914 HG13 HG23 ' I' ' 39' ' ' VAL . 4.1 p -157.4 139.17 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.367 . . . . 74.140000000000001 111.135 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' H' H ' 40' ' ' VAL . . . . . 0.566 HG12 HG22 ' I' ' 40' ' ' VAL . 18.8 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 71.420000000000002 111.112 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.85 0.357 . . . . 61.130000000000003 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' I' I ' 2' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' H' ' 1' ' ' ASP . . . -90.13 72.49 7.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 55.229999999999997 111.063 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.2 -42.27 60.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 74.239999999999995 110.917 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.69 115.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 72.409999999999997 110.832 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -116.23 109.52 17.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 64.430000000000007 110.858 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -93.25 109.1 20.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 64.430000000000007 110.821 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -116.1 102.0 9.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 62.149999999999999 110.856 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -146.96 174.51 11.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 52.329999999999998 110.83 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.67 -10.3 33.36 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.69 -0.767 . . . . 44.530000000000001 112.438 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.42 113.52 0.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.834 0.35 . . . . 72.25 110.913 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -106.8 120.06 41.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 54.229999999999997 110.914 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -124.51 113.32 35.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 72.25 111.136 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 54.5 m170 -116.13 117.26 29.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 63.240000000000002 110.831 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -132.09 128.41 38.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 60.119999999999997 110.89 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 15' ' ' GLN . . . . . 0.57 ' OE1' HG12 ' D' ' 39' ' ' VAL . 19.1 pt20 -127.91 134.17 49.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 71.450000000000003 110.911 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 16' ' ' LYS . . . . . 0.662 ' O ' HD22 ' I' ' 17' ' ' LEU . 6.7 tptm -124.0 123.64 40.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 74.209999999999994 110.865 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.662 HD22 ' O ' ' I' ' 16' ' ' LYS . 4.4 mm? -128.98 103.37 6.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 73.140000000000001 110.884 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 18' ' ' VAL . . . . . 0.639 ' CG1' ' HB2' ' I' ' 21' ' ' ALA . 58.1 t -113.21 122.56 67.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 62.32 111.128 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 19' ' ' PHE . . . . . 0.657 ' CE2' HD23 ' J' ' 34' ' ' LEU . 2.4 m-85 -111.35 131.98 54.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 65.219999999999999 110.877 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 20' ' ' PHE . . . . . 0.428 ' HZ ' HG22 ' I' ' 31' ' ' ILE . 4.3 m-85 60.08 58.03 2.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 54.149999999999999 110.897 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 21' ' ' ALA . . . . . 0.639 ' HB2' ' CG1' ' I' ' 18' ' ' VAL . . . -93.22 107.97 19.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 65.140000000000001 111.098 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 52.3 t0 61.83 103.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 73.230000000000004 110.843 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.507 HG11 ' ND2' ' I' ' 27' ' ' ASN . 21.9 t -130.9 133.79 62.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 73.239999999999995 111.1 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.78 -41.85 95.46 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 60.420000000000002 112.476 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.55 121.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.384 . . . . 61.240000000000002 110.861 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 27' ' ' ASN . . . . . 0.507 ' ND2' HG11 ' I' ' 24' ' ' VAL . 79.8 m-20 -101.26 111.72 24.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 51.310000000000002 110.923 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 28' ' ' LYS . . . . . 0.408 ' O ' HD11 ' I' ' 31' ' ' ILE . 1.0 OUTLIER -112.65 164.33 13.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 52.009999999999998 110.902 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.76 -137.72 30.93 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.701 -0.762 . . . . 61.32 112.479 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.739 ' O ' HD13 ' I' ' 31' ' ' ILE . . . -93.37 119.12 32.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.753 0.311 . . . . 71.319999999999993 111.127 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.739 HD13 ' O ' ' I' ' 30' ' ' ALA . 24.6 mm -131.74 132.97 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 63.219999999999999 111.103 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 32' ' ' ILE . . . . . 0.585 HG21 ' HB2' ' I' ' 35' ' ' MET . 2.8 mp -124.12 112.24 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 73.150000000000006 111.116 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.58 -14.25 71.1 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 71.540000000000006 112.463 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.953 HD22 HD12 ' H' ' 34' ' ' LEU . 3.5 tm? -168.58 108.49 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 74.329999999999998 110.926 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 35' ' ' MET . . . . . 0.585 ' HB2' HG21 ' I' ' 32' ' ' ILE . 2.3 ttp -119.97 121.73 39.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 60.109999999999999 110.891 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 72.5 t -126.07 114.29 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 75.430000000000007 111.124 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.69 30.08 20.04 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 72.430000000000007 112.455 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.06 -178.44 22.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 62.409999999999997 112.48 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 0.927 HG13 HG23 ' J' ' 39' ' ' VAL . 4.1 p -157.45 138.0 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 53.140000000000001 111.148 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' I' I ' 40' ' ' VAL . . . . . 0.566 HG22 HG12 ' H' ' 40' ' ' VAL . 18.8 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 71.219999999999999 111.098 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.826 0.346 . . . . 40.509999999999998 110.873 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.74 77.05 6.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 73.140000000000001 111.117 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.35 -45.47 55.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 61.229999999999997 110.875 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -164.89 115.59 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 74.519999999999996 110.906 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -113.24 109.7 19.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 62.329999999999998 110.874 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -94.09 109.01 20.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 61.25 110.868 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -116.18 102.03 9.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 34.299999999999997 110.849 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -147.33 172.1 14.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 52.350000000000001 110.816 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.77 -9.65 37.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.699 -0.762 . . . . 40.109999999999999 112.486 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 10' ' ' TYR . . . . . 0.409 ' HE1' HG22 ' J' ' 12' ' ' VAL . 1.0 OUTLIER -171.7 111.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 71.430000000000007 110.894 -179.811 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -106.75 120.26 41.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 72.540000000000006 110.911 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 0.409 HG22 ' HE1' ' J' ' 10' ' ' TYR . 21.2 t -124.57 113.99 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 60.329999999999998 111.14 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -115.99 116.94 28.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 71.129999999999995 110.848 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -131.41 129.04 40.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 73.329999999999998 110.891 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 15' ' ' GLN . . . . . 0.501 ' OE1' HG12 ' E' ' 39' ' ' VAL . 19.2 pt20 -127.48 135.46 50.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 64.409999999999997 110.91 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 16' ' ' LYS . . . . . 0.666 ' O ' HD22 ' J' ' 17' ' ' LEU . 6.7 tptm -124.38 121.54 35.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 52.539999999999999 110.872 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.666 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.4 mm? -129.5 102.62 6.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 75.310000000000002 110.874 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.742 ' CG1' ' HB2' ' J' ' 21' ' ' ALA . 54.7 t -111.58 123.03 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 55.439999999999998 111.159 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.454 ' HE1' HD12 ' J' ' 17' ' ' LEU . 2.3 m-85 -110.37 128.81 55.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 60.43 110.899 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 59.88 59.11 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 71.140000000000001 110.875 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 21' ' ' ALA . . . . . 0.742 ' HB2' ' CG1' ' J' ' 18' ' ' VAL . . . -94.17 108.39 20.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 35.420000000000002 111.091 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 53.1 t0 61.84 104.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 73.530000000000001 110.86 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.589 HG11 ' ND2' ' J' ' 27' ' ' ASN . 23.9 t -131.49 133.09 62.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 73.239999999999995 111.136 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.86 -42.05 95.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.777 -0.725 . . . . 55.020000000000003 112.492 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.81 120.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 55.119999999999997 110.88 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 27' ' ' ASN . . . . . 0.589 ' ND2' HG11 ' J' ' 24' ' ' VAL . 79.2 m-20 -101.82 111.45 23.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 64.25 110.89 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -113.24 163.07 15.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 72.450000000000003 110.899 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.71 -136.17 37.34 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 53.039999999999999 112.496 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 0.737 ' O ' HD13 ' J' ' 31' ' ' ILE . . . -94.97 118.14 31.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 13.039999999999999 111.086 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.737 HD13 ' O ' ' J' ' 30' ' ' ALA . 23.9 mm -131.72 130.94 62.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 62.350000000000001 111.118 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 32' ' ' ILE . . . . . 0.507 HG21 ' HB2' ' J' ' 35' ' ' MET . 2.8 mp -124.79 112.35 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 64.450000000000003 111.133 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.91 -10.95 68.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.729 . . . . 71.109999999999999 112.486 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.914 HD22 HD12 ' I' ' 34' ' ' LEU . 3.4 tm? -165.88 106.82 0.72 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.333 . . . . 74.230000000000004 110.921 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 35' ' ' MET . . . . . 0.507 ' HB2' HG21 ' J' ' 32' ' ' ILE . 2.3 ttp -121.88 121.94 38.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 73.319999999999993 110.889 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 75.0 t -128.54 114.43 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 75.140000000000001 111.146 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.75 29.71 19.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 43.350000000000001 112.514 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.22 -178.57 21.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.759 . . . . 73.109999999999999 112.488 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.927 HG23 HG13 ' I' ' 39' ' ' VAL . 5.4 p -157.63 139.3 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.358 . . . . 73.519999999999996 111.113 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.518 HG22 HG12 ' I' ' 40' ' ' VAL . 19.3 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 75.540000000000006 111.1 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.782 0.325 . . . . 73.109999999999999 110.863 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.04 104.67 1.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 75.530000000000001 111.072 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.403 ' CA ' ' HA2' ' F' ' 29' ' ' GLY . 1.8 mp0 -55.26 -39.06 69.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 74.299999999999997 110.899 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' F' ' 30' ' ' ALA . 0.1 OUTLIER -149.77 114.42 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 72.219999999999999 110.833 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -133.13 108.81 9.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 75.150000000000006 110.861 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -105.31 111.94 24.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 72.409999999999997 110.817 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -113.16 101.46 9.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 74.510000000000005 110.862 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.1 t -150.26 175.6 11.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 61.140000000000001 110.865 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.34 -7.32 40.43 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.772 -0.728 . . . . 74.340000000000003 112.436 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.1 116.28 0.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.838 0.351 . . . . 75.129999999999995 110.914 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -102.46 119.74 39.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 73.430000000000007 110.91 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.2 t -133.09 114.31 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 63.420000000000002 111.147 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 40.5 m170 -123.16 116.9 24.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 74.329999999999998 110.852 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -126.4 125.21 41.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 75.430000000000007 110.849 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -118.13 132.82 56.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 72.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.516 ' O ' HD22 ' A' ' 17' ' ' LEU . 12.4 tptm -129.2 115.52 17.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 72.230000000000004 110.872 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.596 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.5 mm? -124.79 111.27 15.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 64.439999999999998 110.906 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.697 HG12 ' HB2' ' A' ' 21' ' ' ALA . 12.2 t -117.31 113.78 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 74.019999999999996 111.16 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.691 ' CE2' HD23 ' B' ' 34' ' ' LEU . 3.3 m-85 -103.7 131.83 50.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 75.120000000000005 110.917 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.541 ' CZ ' HG22 ' A' ' 31' ' ' ILE . 5.4 m-85 61.47 53.36 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 74.209999999999994 110.862 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.697 ' HB2' HG12 ' A' ' 18' ' ' VAL . . . -91.65 114.13 26.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 50.140000000000001 111.153 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 59.1 95.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 72.209999999999994 110.881 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.693 ' CG1' HG23 ' B' ' 24' ' ' VAL . 5.6 p -135.28 135.02 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 24.420000000000002 111.126 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.71 -55.52 20.07 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 74.510000000000005 112.482 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.7 m -169.33 130.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 74.329999999999998 110.883 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -97.71 102.01 13.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 73.209999999999994 110.86 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 tptp -113.98 166.05 11.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 65.200000000000003 110.926 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.29 -135.54 36.33 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.733 -0.746 . . . . 70.340000000000003 112.494 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.578 ' HB2' ' CE2' ' F' ' 4' ' ' PHE . . . -95.75 114.11 25.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 41.340000000000003 111.1 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.541 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -127.97 123.78 61.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 75.340000000000003 111.101 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.5 mt -114.65 111.22 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 73.420000000000002 111.16 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.94 -35.37 21.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 64.510000000000005 112.495 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.696 HD12 ' CD2' ' B' ' 34' ' ' LEU . 2.6 tm? -164.63 107.68 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 74.299999999999997 110.943 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.0 ttm -122.5 125.5 45.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 62.409999999999997 110.856 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.728 HG11 HG21 ' F' ' 36' ' ' VAL . 65.9 t -119.66 119.4 60.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 63.109999999999999 111.159 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.3 27.07 23.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 61.32 112.495 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.67 175.41 24.36 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.739 . . . . 71.5 112.558 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.91 HG13 HG23 ' B' ' 39' ' ' VAL . 5.6 p -152.56 143.83 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 72.109999999999999 111.127 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 73.0 111.062 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.859 0.361 . . . . 64.420000000000002 110.931 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.84 105.37 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 72.219999999999999 111.108 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -55.11 -38.34 68.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 75.140000000000001 110.875 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' G' ' 30' ' ' ALA . 0.1 OUTLIER -150.46 114.25 5.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 75.400000000000006 110.946 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -130.31 108.81 10.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 71.450000000000003 110.879 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -105.58 111.36 24.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 42.530000000000001 110.893 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -113.88 100.96 8.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 62.32 110.867 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 19.9 t -149.75 175.72 11.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 64.540000000000006 110.845 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.1 -8.14 39.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.79 -0.719 . . . . 71.230000000000004 112.487 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.4 115.28 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.884 0.373 . . . . 61.520000000000003 110.908 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -101.4 119.89 39.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 74.310000000000002 110.88 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.4 t -131.65 114.44 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 53.149999999999999 111.182 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -124.03 117.52 24.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 74.120000000000005 110.808 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -126.56 127.38 45.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 75.349999999999994 110.89 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -118.36 132.99 56.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 75.040000000000006 110.911 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.544 ' O ' HD22 ' B' ' 17' ' ' LEU . 12.6 tptm -126.46 116.31 20.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 62.399999999999999 110.913 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.621 ' HB2' HD13 ' C' ' 17' ' ' LEU . 4.5 mm? -125.29 110.65 14.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 70.030000000000001 110.901 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.723 HG12 ' HB2' ' B' ' 21' ' ' ALA . 7.5 t -117.58 114.87 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 72.150000000000006 111.115 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.701 ' CE2' HD23 ' C' ' 34' ' ' LEU . 2.4 m-85 -105.96 129.61 54.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 62.020000000000003 110.874 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.515 ' CZ ' HG22 ' B' ' 31' ' ' ILE . 6.2 m-85 61.25 54.24 3.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 75.230000000000004 110.893 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.723 ' HB2' HG12 ' B' ' 18' ' ' VAL . . . -91.36 114.65 27.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 71.209999999999994 111.117 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 58.37 95.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 44.409999999999997 110.865 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.693 HG23 ' CG1' ' A' ' 24' ' ' VAL . 4.2 p -135.45 132.66 52.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 71.519999999999996 111.103 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.98 -54.05 27.54 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.755 -0.736 . . . . 51.43 112.444 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -168.95 130.36 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.921 0.391 . . . . 71.299999999999997 110.887 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -99.64 101.1 12.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 52.229999999999997 110.894 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 tptp -114.23 166.93 11.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 51.049999999999997 110.901 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.16 -135.5 40.06 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 62.409999999999997 112.464 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.572 ' HB2' ' CE2' ' G' ' 4' ' ' PHE . . . -95.95 114.15 25.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.763 0.316 . . . . 73.400000000000006 111.1 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.515 HG22 ' CZ ' ' B' ' 20' ' ' PHE . 0.6 OUTLIER -128.48 123.64 60.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 71.430000000000007 111.137 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 26.3 mt -114.74 109.6 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 65.219999999999999 111.156 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.44 -34.86 27.67 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 70.109999999999999 112.473 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.776 HD12 ' CD2' ' C' ' 34' ' ' LEU . 3.3 tm? -162.66 107.26 1.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 75.310000000000002 110.914 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 46.2 ttm -121.92 124.13 43.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 75.099999999999994 110.934 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.597 HG21 HG11 ' G' ' 36' ' ' VAL . 65.8 t -122.21 117.72 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 71.329999999999998 111.127 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.98 26.84 28.28 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.783 -0.722 . . . . 62.210000000000001 112.49 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.38 176.27 25.29 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.773 -0.727 . . . . 72.129999999999995 112.486 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.923 HG13 HG23 ' C' ' 39' ' ' VAL . 5.1 p -152.16 143.53 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 73.409999999999997 111.092 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 75.140000000000001 111.142 179.883 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.854 0.359 . . . . 74.239999999999995 110.873 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 2' ' ' ALA . . . . . 0.432 ' HB1' ' HG2' ' C' ' 5' ' ' ARG . . . -66.96 105.29 1.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 63.229999999999997 111.112 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 3' ' ' GLU . . . . . 0.404 ' CA ' ' HA2' ' H' ' 29' ' ' GLY . 1.9 mp0 -54.91 -37.33 66.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 71.209999999999994 110.862 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 4' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' H' ' 30' ' ' ALA . 0.1 OUTLIER -150.79 114.36 4.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 75.230000000000004 110.888 -179.887 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 5' ' ' ARG . . . . . 0.432 ' HG2' ' HB1' ' C' ' 2' ' ' ALA . 6.4 mmt180 -128.59 108.66 10.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 74.340000000000003 110.835 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -106.29 109.37 21.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 75.439999999999998 110.835 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -113.13 101.08 9.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 75.239999999999995 110.861 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 19.4 t -149.34 175.42 11.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 74.420000000000002 110.886 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.81 -8.2 40.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 73.439999999999998 112.48 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.47 115.41 0.31 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.817 0.342 . . . . 75.299999999999997 110.935 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -101.83 120.05 39.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 74.540000000000006 110.872 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 96.7 t -131.47 114.4 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 73.129999999999995 111.137 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 43.7 m170 -124.11 117.41 24.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 70.230000000000004 110.885 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -126.53 127.97 46.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 60.310000000000002 110.868 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -118.91 133.49 55.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 72.25 110.901 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.585 ' O ' HD22 ' C' ' 17' ' ' LEU . 12.6 tptm -124.67 116.77 22.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 72.340000000000003 110.862 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.621 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.5 mm? -126.66 109.79 12.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 64.25 110.921 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.716 HG12 ' HB2' ' C' ' 21' ' ' ALA . 9.9 t -118.29 115.79 49.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 70.200000000000003 111.115 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.688 ' CE2' HD23 ' D' ' 34' ' ' LEU . 1.9 m-85 -105.79 129.51 53.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 73.239999999999995 110.899 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.401 ' CZ ' HG22 ' C' ' 31' ' ' ILE . 6.8 m-85 60.54 55.17 3.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 65.519999999999996 110.845 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 0.716 ' HB2' HG12 ' C' ' 18' ' ' VAL . . . -91.69 114.11 26.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 73.230000000000004 111.105 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 58.68 96.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 73.549999999999997 110.87 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.673 HG23 ' CG1' ' B' ' 24' ' ' VAL . 4.1 p -136.28 132.16 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 74.430000000000007 111.094 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.82 -54.06 30.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 72.209999999999994 112.509 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -167.68 129.73 1.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.887 0.375 . . . . 70.099999999999994 110.85 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.4 ' OD1' HG21 ' C' ' 24' ' ' VAL . 65.9 m-20 -99.93 100.31 11.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 65.239999999999995 110.896 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.403 ' O ' HD11 ' C' ' 31' ' ' ILE . 2.3 tptp -114.53 167.4 10.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 72.239999999999995 110.892 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.83 -135.91 42.02 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 41.420000000000002 112.466 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.568 ' HB2' ' CE2' ' H' ' 4' ' ' PHE . . . -96.13 113.9 25.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.719 0.295 . . . . 71.310000000000002 111.092 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.403 HD11 ' O ' ' C' ' 28' ' ' LYS . 0.6 OUTLIER -129.02 123.87 59.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 73.040000000000006 111.133 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 24.2 mt -114.59 109.06 27.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 72.120000000000005 111.099 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.35 -33.02 29.67 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 64.5 112.504 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.84 HD12 HD22 ' D' ' 34' ' ' LEU . 3.4 tm? -161.3 106.87 1.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.859 0.361 . . . . 73.340000000000003 110.9 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 45.8 ttm -122.41 123.39 41.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 74.510000000000005 110.845 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.48 HG21 HG11 ' H' ' 36' ' ' VAL . 70.7 t -123.34 116.64 49.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 62.219999999999999 111.135 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.17 27.61 23.87 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 64.430000000000007 112.46 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.38 177.1 25.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.794 -0.717 . . . . 61.310000000000002 112.472 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.923 HG23 HG13 ' B' ' 39' ' ' VAL . 4.2 p -151.83 143.33 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.859 0.362 . . . . 71.439999999999998 111.106 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 62.420000000000002 111.134 179.942 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.828 0.347 . . . . 75.450000000000003 110.836 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 2' ' ' ALA . . . . . 0.44 ' HB1' ' HG2' ' D' ' 5' ' ' ARG . . . -66.94 105.26 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 73.439999999999998 111.144 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 3' ' ' GLU . . . . . 0.409 ' CA ' ' HA2' ' I' ' 29' ' ' GLY . 2.1 mp0 -54.74 -37.36 65.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 72.430000000000007 110.849 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 4' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' I' ' 30' ' ' ALA . 0.1 OUTLIER -151.03 114.61 4.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 64.200000000000003 110.908 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 5' ' ' ARG . . . . . 0.44 ' HG2' ' HB1' ' D' ' 2' ' ' ALA . 6.5 mmt180 -127.74 108.56 10.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 62.009999999999998 110.883 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -107.11 109.11 20.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 75.299999999999997 110.847 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -113.49 101.17 9.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 62.240000000000002 110.853 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 20.0 t -148.81 174.75 11.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 73.310000000000002 110.85 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.46 -8.11 41.33 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 73.140000000000001 112.481 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.31 115.04 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 75.420000000000002 110.958 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -101.95 120.48 40.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 74.430000000000007 110.847 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 94.1 t -131.7 114.2 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 75.25 111.177 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 44.6 m170 -124.27 116.96 23.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 63.520000000000003 110.867 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -126.67 128.23 46.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 65.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -118.84 135.13 54.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 63.439999999999998 110.903 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 16' ' ' LYS . . . . . 0.631 ' O ' HD22 ' D' ' 17' ' ' LEU . 12.5 tptm -124.17 116.24 22.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 74.040000000000006 110.899 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.631 HD22 ' O ' ' D' ' 16' ' ' LYS . 4.5 mm? -128.16 108.79 10.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 73.230000000000004 110.93 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.711 HG12 ' HB2' ' D' ' 21' ' ' ALA . 12.1 t -118.18 117.37 54.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 70.129999999999995 111.114 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.653 ' CE2' HD23 ' E' ' 34' ' ' LEU . 1.6 m-85 -105.55 129.65 53.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 70.530000000000001 110.849 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 59.95 55.54 3.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 72.049999999999997 110.877 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 21' ' ' ALA . . . . . 0.711 ' HB2' HG12 ' D' ' 18' ' ' VAL . . . -92.13 114.64 27.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 74.409999999999997 111.105 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 58.24 96.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 73.439999999999998 110.849 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.669 HG23 ' CG1' ' C' ' 24' ' ' VAL . 4.4 p -136.86 130.97 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 72.230000000000004 111.118 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.87 -54.11 30.06 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 44.119999999999997 112.475 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -166.89 129.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.845 0.355 . . . . 55.229999999999997 110.918 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.459 ' OD1' HG21 ' D' ' 24' ' ' VAL . 70.7 m-20 -100.57 99.84 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 72.120000000000005 110.903 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 28' ' ' LYS . . . . . 0.417 ' O ' HD11 ' D' ' 31' ' ' ILE . 2.7 tptp -114.77 167.48 10.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 75.540000000000006 110.904 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.4 -135.94 44.13 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.762 -0.732 . . . . 65.019999999999996 112.48 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.574 ' HB2' ' CE2' ' I' ' 4' ' ' PHE . . . -96.45 113.92 25.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.744 0.307 . . . . 45.219999999999999 111.11 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.417 HD11 ' O ' ' D' ' 28' ' ' LYS . 0.5 OUTLIER -129.69 123.7 57.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 62.100000000000001 111.12 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 24.6 mt -114.85 108.79 26.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 43.109999999999999 111.154 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.52 -31.35 27.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 51.539999999999999 112.459 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.869 HD12 HD22 ' E' ' 34' ' ' LEU . 3.4 tm? -159.63 106.43 1.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 75.540000000000006 110.907 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 44.6 ttm -124.88 122.56 37.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 63.5 110.934 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.493 HG21 HG11 ' I' ' 36' ' ' VAL . 71.7 t -123.51 116.79 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 64.129999999999995 111.11 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.91 27.94 22.77 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.775 -0.726 . . . . 20.510000000000002 112.534 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.13 177.08 26.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 75.25 112.547 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.918 HG23 HG13 ' C' ' 39' ' ' VAL . 4.7 p -151.5 143.43 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 54.310000000000002 111.138 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 74.140000000000001 111.115 179.909 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.803 0.335 . . . . 73.430000000000007 110.889 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' E' E ' 2' ' ' ALA . . . . . 0.475 ' HB1' ' HG2' ' E' ' 5' ' ' ARG . . . -67.15 105.64 1.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 62.219999999999999 111.112 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -53.77 -37.59 63.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 52.109999999999999 110.877 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 4' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' J' ' 30' ' ' ALA . 0.1 OUTLIER -151.38 115.57 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 74.540000000000006 110.916 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' E' E ' 5' ' ' ARG . . . . . 0.475 ' HG2' ' HB1' ' E' ' 2' ' ' ALA . 6.3 mmt180 -126.12 108.21 11.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 72.510000000000005 110.888 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -106.73 109.05 20.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 63.420000000000002 110.842 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -113.17 101.09 9.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 62.240000000000002 110.852 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 19.7 t -150.1 171.69 16.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 75.25 110.856 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.45 -7.15 46.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.76 . . . . 64.510000000000005 112.495 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -171.95 113.33 0.32 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.836 0.35 . . . . 74.310000000000002 110.893 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -102.91 121.29 42.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 75.420000000000002 110.875 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 93.0 t -131.25 114.9 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 51.450000000000003 111.143 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -124.07 115.25 20.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 74.420000000000002 110.875 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -125.98 128.7 47.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 71.109999999999999 110.875 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -118.49 137.46 53.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 75.129999999999995 110.937 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 16' ' ' LYS . . . . . 0.672 ' O ' HD22 ' E' ' 17' ' ' LEU . 12.6 tptm -123.74 115.45 21.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 51.350000000000001 110.876 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.672 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.4 mm? -129.55 109.03 10.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 72.209999999999994 110.897 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.734 ' CG1' ' HB2' ' E' ' 21' ' ' ALA . 5.8 t -116.73 119.34 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 64.299999999999997 111.146 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.444 ' HE1' HD12 ' E' ' 17' ' ' LEU . 1.6 m-85 -105.45 127.12 52.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 73.230000000000004 110.876 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 59.16 56.28 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 75.510000000000005 110.915 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 21' ' ' ALA . . . . . 0.734 ' HB2' ' CG1' ' E' ' 18' ' ' VAL . . . -92.04 115.47 28.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 62.020000000000003 111.096 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 57.41 96.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 71.140000000000001 110.837 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.608 HG21 ' OD1' ' E' ' 27' ' ' ASN . 4.5 p -135.81 129.38 48.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 71.129999999999995 111.128 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.23 -52.59 43.05 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.774 -0.727 . . . . 63.329999999999998 112.499 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -167.16 126.67 1.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.896 0.379 . . . . 53.350000000000001 110.799 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.608 ' OD1' HG21 ' E' ' 24' ' ' VAL . 72.3 m-20 -100.46 99.55 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 75.510000000000005 110.904 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 28' ' ' LYS . . . . . 0.421 ' O ' HD11 ' E' ' 31' ' ' ILE . 3.4 tptp -115.72 167.99 10.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 51.549999999999997 110.875 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.75 -134.71 46.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 63.130000000000003 112.474 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.585 ' HB2' ' CE2' ' J' ' 4' ' ' PHE . . . -97.31 113.72 25.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 64.530000000000001 111.062 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.421 HD11 ' O ' ' E' ' 28' ' ' LYS . 0.5 OUTLIER -130.04 123.75 56.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 75.319999999999993 111.104 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 27.0 mt -116.62 108.38 24.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 74.310000000000002 111.139 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.66 -28.03 27.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 71.430000000000007 112.513 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.869 HD22 HD12 ' D' ' 34' ' ' LEU . 3.3 tm? -158.23 105.89 1.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.815 0.341 . . . . 75.540000000000006 110.869 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 42.7 ttm -127.96 123.22 34.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 64.209999999999994 110.87 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.553 HG21 HG11 ' J' ' 36' ' ' VAL . 72.4 t -125.85 116.88 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 73.040000000000006 111.106 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.93 27.97 23.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 52.509999999999998 112.521 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.12 176.99 26.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 72.329999999999998 112.441 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.917 HG23 HG13 ' D' ' 39' ' ' VAL . 5.4 p -151.31 143.45 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 75.040000000000006 111.152 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 71.439999999999998 111.169 179.901 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.768 0.318 . . . . 64.519999999999996 110.853 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.36 105.2 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 51.409999999999997 111.119 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -54.45 -40.35 68.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 71.409999999999997 110.902 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 4' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -150.95 114.72 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 74.430000000000007 110.883 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -132.73 109.15 9.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 74.340000000000003 110.873 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -105.2 111.17 23.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 72.5 110.877 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -112.09 101.5 9.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 73.420000000000002 110.851 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 19.6 t -150.45 175.51 11.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 71.530000000000001 110.837 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.57 -7.47 39.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 62.409999999999997 112.478 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.12 116.01 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.878 0.37 . . . . 74.340000000000003 110.979 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -102.2 119.76 39.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 52.140000000000001 110.869 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 98.8 t -132.75 114.08 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 74.099999999999994 111.119 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -122.72 117.01 24.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 74.319999999999993 110.831 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -126.42 125.51 42.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 71.099999999999994 110.839 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -118.05 132.87 56.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 65.129999999999995 110.917 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 16' ' ' LYS . . . . . 0.535 ' O ' HD22 ' F' ' 17' ' ' LEU . 12.4 tptm -129.15 115.5 17.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 75.420000000000002 110.905 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.596 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.5 mm? -125.22 111.08 14.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 64.519999999999996 110.954 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.687 HG12 ' HB2' ' F' ' 21' ' ' ALA . 12.2 t -117.59 114.13 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 73.450000000000003 111.14 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.689 ' CE2' HD23 ' G' ' 34' ' ' LEU . 3.4 m-85 -104.09 131.85 50.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 74.519999999999996 110.878 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 20' ' ' PHE . . . . . 0.519 ' CZ ' HG22 ' F' ' 31' ' ' ILE . 5.3 m-85 61.12 53.76 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 75.319999999999993 110.838 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 21' ' ' ALA . . . . . 0.687 ' HB2' HG12 ' F' ' 18' ' ' VAL . . . -91.54 113.62 25.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 71.200000000000003 111.13 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 59.3 95.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 64.299999999999997 110.859 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.686 ' CG1' HG23 ' G' ' 24' ' ' VAL . 5.1 p -134.65 134.34 54.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 64.230000000000004 111.115 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.21 -55.49 21.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.706 -0.759 . . . . 75.019999999999996 112.483 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.0 m -168.18 128.82 1.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 54.420000000000002 110.874 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -97.32 101.42 12.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 74.019999999999996 110.892 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 tptp -113.32 167.24 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 70.230000000000004 110.884 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 29' ' ' GLY . . . . . 0.403 ' HA2' ' CA ' ' A' ' 3' ' ' GLU . . . 51.67 -137.58 30.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 72.439999999999998 112.451 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.566 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . . . -94.51 113.83 25.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.331 . . . . 53.409999999999997 111.058 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.519 HG22 ' CZ ' ' F' ' 20' ' ' PHE . 0.6 OUTLIER -126.99 125.21 66.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 72.129999999999995 111.136 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 26.6 mt -115.94 110.88 33.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 73.340000000000003 111.152 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.61 -36.57 22.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 52.32 112.44 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.693 HD12 ' CD2' ' G' ' 34' ' ' LEU . 2.6 tm? -164.17 107.79 0.95 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 64.219999999999999 110.927 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 46.0 ttm -122.38 124.89 44.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 73.0 110.894 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.728 HG21 HG11 ' A' ' 36' ' ' VAL . 66.8 t -118.99 119.38 60.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 75.450000000000003 111.105 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.5 26.88 24.46 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.715 -0.755 . . . . 71.109999999999999 112.534 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.21 175.52 24.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.7 -0.762 . . . . 74.409999999999997 112.486 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.92 HG13 HG23 ' G' ' 39' ' ' VAL . 5.5 p -152.68 143.68 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.381 . . . . 73.540000000000006 111.129 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 52.130000000000003 111.144 179.91 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.826 0.346 . . . . 70.049999999999997 110.888 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.62 104.95 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 64.0 111.091 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -54.54 -38.96 67.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 70.319999999999993 110.871 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 4' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' B' ' 30' ' ' ALA . 0.1 OUTLIER -151.28 114.81 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 75.129999999999995 110.904 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -130.81 108.97 10.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 73.519999999999996 110.845 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -105.23 110.12 22.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 75.510000000000005 110.857 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -112.26 100.93 9.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 64.109999999999999 110.874 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 19.8 t -149.93 175.5 11.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 74.519999999999996 110.806 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.16 -8.21 39.18 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 65.519999999999996 112.478 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.32 115.24 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 73.510000000000005 110.947 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -101.49 119.81 39.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 70.329999999999998 110.894 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 95.8 t -131.4 114.24 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 74.439999999999998 111.177 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -123.71 117.73 25.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 72.030000000000001 110.845 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -127.06 127.23 44.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 72.25 110.841 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -118.26 132.89 56.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 73.439999999999998 110.92 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 16' ' ' LYS . . . . . 0.563 ' O ' HD22 ' G' ' 17' ' ' LEU . 12.5 tptm -126.11 116.58 21.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 61.240000000000002 110.839 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.613 ' HB2' HD13 ' H' ' 17' ' ' LEU . 4.5 mm? -125.68 110.77 14.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 64.209999999999994 110.915 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.731 HG12 ' HB2' ' G' ' 21' ' ' ALA . 8.4 t -117.91 115.15 47.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 71.25 111.137 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.693 ' CE2' HD23 ' H' ' 34' ' ' LEU . 2.4 m-85 -106.11 129.64 54.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 74.109999999999999 110.886 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 0.504 ' CZ ' HG22 ' G' ' 31' ' ' ILE . 6.1 m-85 61.19 54.28 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 73.530000000000001 110.895 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 21' ' ' ALA . . . . . 0.731 ' HB2' HG12 ' G' ' 18' ' ' VAL . . . -91.14 113.98 26.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 70.540000000000006 111.114 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 58.79 96.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 54.130000000000003 110.888 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.686 HG23 ' CG1' ' F' ' 24' ' ' VAL . 4.1 p -135.01 132.08 53.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 73.129999999999995 111.139 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.61 -53.8 30.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 70.120000000000005 112.477 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -167.7 128.89 1.47 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.89 0.376 . . . . 63.43 110.904 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 -99.57 99.93 10.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 61.310000000000002 110.903 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 4.7 tptp -113.66 168.32 9.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 75.25 110.893 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.47 -137.3 34.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.696 -0.764 . . . . 44.350000000000001 112.487 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.572 ' HB2' ' CE2' ' B' ' 4' ' ' PHE . . . -94.95 113.7 25.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 54.100000000000001 111.117 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.504 HG22 ' CZ ' ' G' ' 20' ' ' PHE . 0.6 OUTLIER -127.45 124.28 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 52.219999999999999 111.139 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 26.3 mt -114.92 109.54 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 73.310000000000002 111.111 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.97 -35.5 27.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 43.329999999999998 112.486 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.76 HD12 ' CD2' ' H' ' 34' ' ' LEU . 3.3 tm? -162.79 107.4 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 73.310000000000002 110.951 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 46.4 ttm -121.93 124.18 43.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 72.25 110.913 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.597 HG11 HG21 ' B' ' 36' ' ' VAL . 67.2 t -121.57 117.67 53.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 62.119999999999997 111.161 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.99 26.91 28.54 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.778 -0.725 . . . . 54.340000000000003 112.462 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.0 176.33 25.77 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.77 -0.729 . . . . 55.219999999999999 112.459 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.92 HG23 HG13 ' F' ' 39' ' ' VAL . 4.7 p -152.06 143.49 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.362 . . . . 74.519999999999996 111.17 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 71.510000000000005 111.122 179.942 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.795 0.331 . . . . 64.340000000000003 110.864 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.34 105.07 1.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 72.400000000000006 111.075 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -54.43 -38.91 66.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 61.329999999999998 110.889 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 4' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' C' ' 30' ' ' ALA . 0.1 OUTLIER -151.09 114.76 4.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 62.399999999999999 110.863 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -129.48 108.89 10.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 73.219999999999999 110.888 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -106.04 109.05 20.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 63.329999999999998 110.812 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -112.43 101.08 9.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 71.010000000000005 110.858 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 19.2 t -149.26 175.25 11.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 73.129999999999995 110.818 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.66 -8.36 40.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 21.52 112.527 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.47 115.43 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.878 0.371 . . . . 74.549999999999997 110.897 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -101.62 120.01 39.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 44.509999999999998 110.863 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 96.8 t -131.29 114.28 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 74.010000000000005 111.146 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -124.15 117.57 24.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 75.120000000000005 110.859 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -127.02 127.28 44.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 72.239999999999995 110.873 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -118.22 133.32 56.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 74.430000000000007 110.916 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 16' ' ' LYS . . . . . 0.591 ' O ' HD22 ' H' ' 17' ' ' LEU . 12.6 tptm -124.59 116.62 22.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 74.519999999999996 110.91 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.613 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.5 mm? -126.53 109.28 11.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 63.530000000000001 110.956 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.722 HG12 ' HB2' ' H' ' 21' ' ' ALA . 10.6 t -117.92 115.97 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 60.240000000000002 111.109 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.675 ' CE2' HD23 ' I' ' 34' ' ' LEU . 1.9 m-85 -105.9 129.7 54.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 74.209999999999994 110.872 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 20' ' ' PHE . . . . . 0.417 ' CZ ' HG22 ' H' ' 31' ' ' ILE . 6.8 m-85 60.51 55.09 3.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 72.329999999999998 110.909 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 21' ' ' ALA . . . . . 0.722 ' HB2' HG12 ' H' ' 18' ' ' VAL . . . -91.43 114.04 26.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 73.150000000000006 111.128 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 58.66 96.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 72.040000000000006 110.879 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 24' ' ' VAL . . . . . 0.679 HG23 ' CG1' ' G' ' 24' ' ' VAL . 4.0 p -135.84 131.63 50.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 65.239999999999995 111.141 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.51 -53.99 32.5 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 54.109999999999999 112.488 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -166.57 128.63 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 55.130000000000003 110.837 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 27' ' ' ASN . . . . . 0.48 ' OD1' HG21 ' H' ' 24' ' ' VAL . 67.6 m-20 -100.95 99.68 10.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 74.530000000000001 110.853 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -114.24 169.23 9.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 65.349999999999994 110.857 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 29' ' ' GLY . . . . . 0.404 ' HA2' ' CA ' ' C' ' 3' ' ' GLU . . . 53.14 -137.09 37.87 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 54.399999999999999 112.489 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 30' ' ' ALA . . . . . 0.569 ' HB2' ' CE2' ' C' ' 4' ' ' PHE . . . -95.23 113.62 25.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 45.140000000000001 111.128 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.417 HG22 ' CZ ' ' H' ' 20' ' ' PHE . 0.6 OUTLIER -128.19 124.66 62.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 71.030000000000001 111.124 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 25.7 mt -115.22 108.86 26.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 64.340000000000003 111.152 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.48 -33.38 28.33 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.677 -0.773 . . . . 74.010000000000005 112.463 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.851 HD12 HD22 ' I' ' 34' ' ' LEU . 3.4 tm? -160.96 106.97 1.42 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.821 0.343 . . . . 74.319999999999993 110.919 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 46.1 ttm -122.7 123.26 40.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 53.240000000000002 110.852 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.48 HG11 HG21 ' C' ' 36' ' ' VAL . 70.1 t -122.99 116.55 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 72.209999999999994 111.145 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.31 27.67 25.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.795 -0.716 . . . . 61.520000000000003 112.417 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.13 176.91 26.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.734 . . . . 64.030000000000001 112.471 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.902 HG23 HG13 ' G' ' 39' ' ' VAL . 4.2 p -151.61 143.29 16.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 71.030000000000001 111.097 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 64.319999999999993 111.155 179.903 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.806 0.336 . . . . 64.109999999999999 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.5 104.7 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 74.400000000000006 111.06 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -54.39 -39.16 66.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 72.439999999999998 110.877 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 4' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' D' ' 30' ' ' ALA . 0.1 OUTLIER -151.13 114.98 4.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 74.230000000000004 110.89 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -129.02 108.8 10.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 75.239999999999995 110.871 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -106.32 108.85 20.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 71.150000000000006 110.829 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -112.68 101.33 9.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 73.219999999999999 110.84 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 19.2 t -149.19 174.69 12.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 71.200000000000003 110.835 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.49 -8.25 40.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 62.439999999999998 112.489 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.3 114.9 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.844 0.354 . . . . 64.439999999999998 110.952 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -101.76 120.34 40.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 71.129999999999995 110.91 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 96.4 t -131.53 114.1 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 73.200000000000003 111.1 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 41.1 m170 -124.49 117.38 24.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 74.019999999999996 110.816 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -127.25 128.13 45.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 72.430000000000007 110.815 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -118.25 134.85 54.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 73.450000000000003 110.945 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 16' ' ' LYS . . . . . 0.637 ' O ' HD22 ' I' ' 17' ' ' LEU . 12.6 tptm -124.07 116.21 22.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 72.420000000000002 110.886 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.637 HD22 ' O ' ' I' ' 16' ' ' LYS . 4.5 mm? -128.17 108.25 10.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 60.409999999999997 110.871 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 18' ' ' VAL . . . . . 0.715 HG12 ' HB2' ' I' ' 21' ' ' ALA . 12.0 t -117.69 117.5 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 52.109999999999999 111.13 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 19' ' ' PHE . . . . . 0.653 ' CE2' HD23 ' J' ' 34' ' ' LEU . 1.6 m-85 -105.61 129.58 53.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 71.040000000000006 110.892 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 59.93 55.64 3.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 62.509999999999998 110.87 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 21' ' ' ALA . . . . . 0.715 ' HB2' HG12 ' I' ' 18' ' ' VAL . . . -92.08 114.28 26.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 50.420000000000002 111.107 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 58.32 97.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 74.349999999999994 110.842 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.671 HG23 ' CG1' ' H' ' 24' ' ' VAL . 4.5 p -136.49 130.42 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 71.519999999999996 111.123 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.23 -54.09 31.22 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.77 -0.729 . . . . 52.310000000000002 112.462 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -165.78 128.2 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.889 0.376 . . . . 65.519999999999996 110.84 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 27' ' ' ASN . . . . . 0.548 ' OD1' HG21 ' I' ' 24' ' ' VAL . 71.7 m-20 -102.04 99.3 9.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 73.200000000000003 110.922 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 28' ' ' LYS . . . . . 0.42 ' O ' HD11 ' I' ' 31' ' ' ILE . 4.5 tptp -114.86 169.24 9.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 74.030000000000001 110.892 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 29' ' ' GLY . . . . . 0.409 ' HA2' ' CA ' ' D' ' 3' ' ' GLU . . . 54.43 -136.43 43.58 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 54.549999999999997 112.454 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.58 ' HB2' ' CE2' ' D' ' 4' ' ' PHE . . . -96.35 113.45 25.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 73.310000000000002 111.093 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.42 HD11 ' O ' ' I' ' 28' ' ' LYS . 0.6 OUTLIER -129.04 124.73 61.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 61.299999999999997 111.137 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 25.5 mt -115.75 108.46 25.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 41.119999999999997 111.159 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.64 -31.52 26.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 71.209999999999994 112.508 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.898 HD12 HD22 ' J' ' 34' ' ' LEU . 3.5 tm? -158.9 106.73 1.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.34 . . . . 31.199999999999999 110.907 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 43.9 ttm -125.14 122.42 37.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 72.400000000000006 110.899 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.493 HG11 HG21 ' D' ' 36' ' ' VAL . 68.5 t -123.88 116.89 49.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 72.530000000000001 111.109 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.9 27.73 22.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 51.200000000000003 112.48 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.95 176.87 26.23 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.715 -0.755 . . . . 73.420000000000002 112.454 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 0.919 HG13 HG23 ' J' ' 39' ' ' VAL . 4.6 p -151.47 143.27 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 74.209999999999994 111.127 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 75.200000000000003 111.144 179.939 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.762 0.315 . . . . 74.239999999999995 110.888 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.67 105.21 1.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 50.409999999999997 111.109 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -54.0 -39.29 65.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 72.420000000000002 110.896 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 4' ' ' PHE . . . . . 0.585 ' CE2' ' HB2' ' E' ' 30' ' ' ALA . 0.1 OUTLIER -151.54 115.4 4.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 65.340000000000003 110.921 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -128.49 108.8 10.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 73.310000000000002 110.868 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -106.39 108.94 20.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 74.319999999999993 110.893 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -112.89 101.32 9.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 52.109999999999999 110.887 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 20.2 t -149.95 171.34 16.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 75.099999999999994 110.865 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.05 -7.21 47.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 74.040000000000006 112.491 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.16 112.91 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.813 0.34 . . . . 71.329999999999998 110.89 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -101.85 120.75 40.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 73.319999999999993 110.905 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 96.3 t -131.18 114.26 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 60.210000000000001 111.115 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 42.8 m170 -124.31 115.75 21.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 74.099999999999994 110.86 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -126.5 128.58 47.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 73.319999999999993 110.83 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -117.86 137.47 52.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 71.409999999999997 110.892 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 16' ' ' LYS . . . . . 0.675 ' O ' HD22 ' J' ' 17' ' ' LEU . 12.6 tptm -124.01 115.45 21.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 74.340000000000003 110.887 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.675 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.4 mm? -129.65 108.51 10.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 73.109999999999999 110.901 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.725 HG12 ' HB2' ' J' ' 21' ' ' ALA . 5.7 t -116.41 119.43 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 65.340000000000003 111.189 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.47 ' HE1' HD12 ' J' ' 17' ' ' LEU . 1.6 m-85 -105.67 127.22 52.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 73.219999999999999 110.878 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 59.36 56.09 3.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 63.409999999999997 110.939 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 21' ' ' ALA . . . . . 0.725 ' HB2' HG12 ' J' ' 18' ' ' VAL . . . -92.29 115.7 28.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 73.140000000000001 111.131 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 57.61 97.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 61.310000000000002 110.827 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.698 HG21 ' OD1' ' J' ' 27' ' ' ASN . 4.2 p -136.36 128.38 44.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 71.430000000000007 111.125 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.43 -52.45 44.71 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.704 -0.76 . . . . 63.450000000000003 112.495 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -165.89 124.63 1.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.38 . . . . 74.129999999999995 110.851 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 27' ' ' ASN . . . . . 0.698 ' OD1' HG21 ' J' ' 24' ' ' VAL . 72.4 m-20 -101.83 98.96 9.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 75.299999999999997 110.866 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 28' ' ' LYS . . . . . 0.412 ' O ' HD11 ' J' ' 31' ' ' ILE . 4.7 tptp -116.22 170.46 8.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 73.209999999999994 110.861 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.72 -135.37 46.07 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.729 -0.748 . . . . 74.0 112.502 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 0.572 ' HB2' ' CE2' ' E' ' 4' ' ' PHE . . . -96.87 113.25 24.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.756 0.312 . . . . 43.43 111.133 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.412 HD11 ' O ' ' J' ' 28' ' ' LYS . 0.5 OUTLIER -129.84 124.9 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 74.409999999999997 111.096 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 29.4 mt -117.69 108.01 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 70.140000000000001 111.09 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.98 -27.71 27.88 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.719 -0.753 . . . . 73.219999999999999 112.51 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.898 HD22 HD12 ' I' ' 34' ' ' LEU . 3.3 tm? -157.52 106.12 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 53.329999999999998 110.951 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 41.3 ttm -127.47 122.85 34.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 75.120000000000005 110.897 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.553 HG11 HG21 ' E' ' 36' ' ' VAL . 77.1 t -126.44 116.57 45.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 62.310000000000002 111.158 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.94 27.75 22.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 62.409999999999997 112.504 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.81 177.21 26.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.752 . . . . 74.420000000000002 112.514 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.919 HG23 HG13 ' I' ' 39' ' ' VAL . 5.2 p -151.66 143.76 16.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.928 0.394 . . . . 71.310000000000002 111.086 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 71.549999999999997 111.115 179.908 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.842 0.354 . . . . 70.310000000000002 110.899 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.63 79.89 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 65.329999999999998 111.119 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.463 ' CA ' ' HA2' ' F' ' 29' ' ' GLY . 2.4 mp0 -51.78 -54.51 27.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 75.150000000000006 110.885 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.468 ' CE1' ' HB2' ' F' ' 30' ' ' ALA . 0.5 OUTLIER -137.81 115.31 11.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 64.099999999999994 110.904 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.03 108.5 13.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 74.439999999999998 110.888 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -110.1 112.81 25.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 70.109999999999999 110.845 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -121.98 101.64 7.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 72.109999999999999 110.821 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -151.83 176.88 10.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 62.240000000000002 110.875 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.83 -1.97 49.25 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.699 -0.763 . . . . 71.519999999999996 112.469 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.459 ' HD1' HG13 ' A' ' 12' ' ' VAL . 1.2 t80 -172.24 119.1 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.37 . . . . 73.209999999999994 110.914 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -109.11 118.54 37.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 72.340000000000003 110.879 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.685 HG12 HG22 ' B' ' 12' ' ' VAL . 18.8 m -135.74 132.87 51.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 55.450000000000003 111.126 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -131.67 115.74 16.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 72.150000000000006 110.861 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -124.57 119.33 28.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 73.349999999999994 110.889 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -121.35 133.72 55.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 63.030000000000001 110.913 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.44 ' O ' HD22 ' A' ' 17' ' ' LEU . 12.1 tptm -125.17 115.28 20.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 64.510000000000005 110.878 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.541 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.1 mm? -121.25 109.61 15.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 73.519999999999996 110.873 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.708 HG12 ' CG2' ' B' ' 18' ' ' VAL . 35.9 m -118.78 122.27 69.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 70.530000000000001 111.11 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.6 ' CE2' HD23 ' B' ' 34' ' ' LEU . 4.6 m-85 -117.54 131.99 56.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 73.540000000000006 110.894 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 63.46 63.54 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 74.450000000000003 110.909 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.25 113.5 27.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 72.129999999999995 111.095 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 64.67 109.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 74.25 110.88 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.66 ' CG1' HG23 ' B' ' 24' ' ' VAL . 7.2 p -151.32 133.55 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 70.140000000000001 111.143 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.79 -72.96 0.58 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.763 -0.732 . . . . 74.140000000000001 112.486 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -144.67 124.2 13.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 73.209999999999994 110.825 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.65 ' ND2' HG21 ' A' ' 24' ' ' VAL . 2.2 m120 -98.75 114.77 27.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 73.310000000000002 110.937 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -114.6 165.99 12.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 73.230000000000004 110.881 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.48 -147.07 10.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.741 . . . . 54.32 112.477 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.447 ' HB2' ' CE1' ' F' ' 4' ' ' PHE . . . -87.67 113.73 23.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.759 0.314 . . . . 63.340000000000003 111.074 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.423 ' HB ' HG23 ' B' ' 31' ' ' ILE . 0.9 OUTLIER -123.18 127.06 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 73.439999999999998 111.106 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.551 HG21 ' HB2' ' A' ' 35' ' ' MET . 3.3 mp -126.93 119.7 53.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 74.530000000000001 111.129 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.72 -29.12 27.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.756 . . . . 50.039999999999999 112.468 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.66 HD12 HD22 ' B' ' 34' ' ' LEU . 2.2 tm? -156.48 108.98 2.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.796 0.331 . . . . 53.119999999999997 110.928 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.551 ' HB2' HG21 ' A' ' 32' ' ' ILE . 2.8 ttp -123.87 128.19 49.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.0 110.88 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.3 t -115.47 112.79 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 74.409999999999997 111.113 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.3 25.24 25.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.724 -0.75 . . . . 73.319999999999993 112.498 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.05 -173.25 46.43 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 71.030000000000001 112.523 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.843 HG13 HG23 ' B' ' 39' ' ' VAL . 5.7 p -169.14 144.57 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 70.299999999999997 111.16 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.519 HG12 HG22 ' B' ' 40' ' ' VAL . 22.1 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 74.400000000000006 111.139 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.825 0.345 . . . . 63.340000000000003 110.858 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.3 79.43 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 53.350000000000001 111.122 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.43 ' CA ' ' HA2' ' G' ' 29' ' ' GLY . 2.2 mp0 -50.36 -53.47 28.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 61.210000000000001 110.881 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.52 ' CE1' ' HB2' ' G' ' 30' ' ' ALA . 0.4 OUTLIER -136.63 115.45 12.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 72.209999999999994 110.88 -179.907 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.67 109.0 14.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 75.239999999999995 110.867 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -110.0 113.21 25.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 63.420000000000002 110.859 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -122.07 101.21 7.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 74.140000000000001 110.837 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' C' ' 8' ' ' SER . 2.8 p -152.76 176.55 11.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 73.420000000000002 110.909 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.41 -3.83 47.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.725 -0.75 . . . . 73.239999999999995 112.493 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.439 ' HD1' HG13 ' B' ' 12' ' ' VAL . 1.3 t80 -172.39 116.13 0.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.855 0.36 . . . . 65.420000000000002 110.951 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -107.96 118.44 36.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 62.439999999999998 110.903 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.694 HG12 HG22 ' C' ' 12' ' ' VAL . 18.0 m -132.6 132.38 59.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 75.439999999999998 111.105 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -129.69 118.6 22.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 61.509999999999998 110.879 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 -125.84 120.46 30.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 61.25 110.879 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -123.2 133.1 54.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 73.25 110.901 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.498 ' O ' HD22 ' B' ' 17' ' ' LEU . 12.3 tptm -125.09 115.74 20.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 74.219999999999999 110.878 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.541 HD13 ' HB2' ' A' ' 17' ' ' LEU . 4.1 mm? -122.41 110.12 15.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 75.030000000000001 110.913 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.713 HG12 ' CG2' ' C' ' 18' ' ' VAL . 35.1 m -120.16 121.75 66.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 62.409999999999997 111.142 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.678 ' CE2' HD23 ' C' ' 34' ' ' LEU . 2.7 m-85 -114.92 131.36 56.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 65.109999999999999 110.861 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.412 ' HZ ' HG22 ' B' ' 31' ' ' ILE . 1.9 m-85 62.68 65.38 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 74.219999999999999 110.87 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.99 113.46 27.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 75.120000000000005 111.102 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 64.47 110.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 62.399999999999999 110.89 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.671 HG21 ' ND2' ' B' ' 27' ' ' ASN . 6.7 p -151.43 133.4 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 71.340000000000003 111.131 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.72 -72.23 0.72 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.713 -0.756 . . . . 73.200000000000003 112.511 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -144.59 124.01 13.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 60.119999999999997 110.895 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.671 ' ND2' HG21 ' B' ' 24' ' ' VAL . 2.3 m120 -98.74 115.45 28.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 73.340000000000003 110.889 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -114.95 165.79 12.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 70.129999999999995 110.886 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.7 -147.55 11.08 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.708 -0.758 . . . . 72.450000000000003 112.512 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.473 ' HB2' ' CE1' ' G' ' 4' ' ' PHE . . . -87.64 114.59 24.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.755 0.312 . . . . 55.539999999999999 111.132 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.423 HG23 ' HB ' ' A' ' 31' ' ' ILE . 0.8 OUTLIER -123.95 125.28 70.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 52.43 111.106 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.504 HG21 ' HB2' ' B' ' 35' ' ' MET . 3.3 mp -127.67 118.95 50.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 71.510000000000005 111.141 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.29 -27.9 24.08 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 64.030000000000001 112.501 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.886 HD12 HD22 ' C' ' 34' ' ' LEU . 2.6 tm? -152.37 107.56 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 44.329999999999998 110.894 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.504 ' HB2' HG21 ' B' ' 32' ' ' ILE . 2.9 ttp -124.89 125.62 44.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 72.450000000000003 110.857 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 38.3 t -115.43 112.1 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 73.409999999999997 111.146 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.3 25.48 26.35 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 65.319999999999993 112.482 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.2 -172.91 46.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.707 -0.759 . . . . 75.120000000000005 112.521 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.873 HG13 HG23 ' C' ' 39' ' ' VAL . 4.4 p -169.25 144.18 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 64.140000000000001 111.092 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.52 HG12 HG22 ' C' ' 40' ' ' VAL . 21.6 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 43.009999999999998 111.095 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.796 0.331 . . . . 72.219999999999999 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.55 78.95 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.443 . . . . 52.409999999999997 111.137 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 3' ' ' GLU . . . . . 0.44 ' CA ' ' HA2' ' H' ' 29' ' ' GLY . 2.3 mp0 -51.44 -53.99 31.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 75.140000000000001 110.878 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 4' ' ' PHE . . . . . 0.505 ' CE1' ' HB2' ' H' ' 30' ' ' ALA . 0.4 OUTLIER -137.19 115.35 11.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 60.340000000000003 110.879 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.76 108.94 14.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.498 . . . . 72.230000000000004 110.839 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -110.59 112.82 24.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 71.299999999999997 110.844 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -120.58 101.29 7.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 74.420000000000002 110.893 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 8' ' ' SER . . . . . 0.435 ' O ' ' HA ' ' D' ' 8' ' ' SER . 2.8 p -152.82 176.35 11.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 73.430000000000007 110.862 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.29 -3.95 44.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 64.519999999999996 112.46 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 10' ' ' TYR . . . . . 0.409 ' HD1' HG13 ' C' ' 12' ' ' VAL . 1.3 t80 -172.41 115.59 0.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.842 0.353 . . . . 71.040000000000006 110.902 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -108.39 119.45 39.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 73.310000000000002 110.893 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.711 HG12 HG22 ' D' ' 12' ' ' VAL . 17.5 m -131.88 132.59 61.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 74.140000000000001 111.16 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -130.32 118.51 21.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 65.230000000000004 110.898 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -124.98 121.41 34.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 71.109999999999999 110.826 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -124.35 133.03 53.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 73.420000000000002 110.944 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.515 ' O ' HD22 ' C' ' 17' ' ' LEU . 12.3 tptm -124.86 115.74 21.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 71.540000000000006 110.878 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.524 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.1 mm? -122.83 110.53 15.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 64.349999999999994 110.911 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.713 ' CG2' HG12 ' B' ' 18' ' ' VAL . 35.2 m -120.95 122.56 68.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 75.219999999999999 111.078 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.702 ' CE2' HD23 ' D' ' 34' ' ' LEU . 2.3 m-85 -113.97 130.63 56.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 74.409999999999997 110.884 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.405 ' HZ ' HG22 ' C' ' 31' ' ' ILE . 2.2 m-85 62.0 66.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 64.510000000000005 110.813 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.0 114.0 27.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 74.109999999999999 111.067 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 64.46 109.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 64.519999999999996 110.842 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.693 HG21 ' ND2' ' C' ' 27' ' ' ASN . 6.5 p -151.32 133.05 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 65.329999999999998 111.103 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.39 -71.64 0.83 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 22.32 112.51 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -144.94 123.67 12.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.931 0.396 . . . . 64.319999999999993 110.855 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.693 ' ND2' HG21 ' C' ' 24' ' ' VAL . 2.2 m120 -98.24 115.82 29.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 71.150000000000006 110.878 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -114.91 165.87 12.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 73.519999999999996 110.858 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.9 -147.35 12.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 72.409999999999997 112.446 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.483 ' HB2' ' CE1' ' H' ' 4' ' ' PHE . . . -88.18 114.54 24.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 73.329999999999998 111.065 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.445 ' HB ' HG23 ' D' ' 31' ' ' ILE . 0.8 OUTLIER -123.87 124.52 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 75.120000000000005 111.171 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.486 HG21 ' HB2' ' C' ' 35' ' ' MET . 3.2 mp -127.29 117.69 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 71.530000000000001 111.104 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.48 -26.96 26.25 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 51.340000000000003 112.443 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.908 HD12 HD22 ' D' ' 34' ' ' LEU . 2.9 tm? -152.03 106.93 3.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.834 0.349 . . . . 71.230000000000004 110.937 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.486 ' HB2' HG21 ' C' ' 32' ' ' ILE . 2.9 ttp -124.54 124.67 42.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 73.030000000000001 110.865 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 39.8 t -115.63 111.47 35.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.253 -0.43 . . . . 73.140000000000001 111.089 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.95 25.48 23.85 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.743 . . . . 33.210000000000001 112.516 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.51 -172.47 45.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 31.239999999999998 112.476 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.876 HG13 HG23 ' D' ' 39' ' ' VAL . 4.4 p -169.25 144.33 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.367 . . . . 71.209999999999994 111.14 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.556 HG12 HG22 ' D' ' 40' ' ' VAL . 21.2 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 54.009999999999998 111.149 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.832 0.349 . . . . 71.200000000000003 110.88 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.23 79.45 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 75.040000000000006 111.124 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 3' ' ' GLU . . . . . 0.441 ' CA ' ' HA2' ' I' ' 29' ' ' GLY . 2.4 mp0 -52.24 -53.99 36.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 70.450000000000003 110.852 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 4' ' ' PHE . . . . . 0.522 ' CE1' ' HB2' ' I' ' 30' ' ' ALA . 0.4 OUTLIER -137.23 115.22 11.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 73.340000000000003 110.923 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.46 108.8 14.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 65.129999999999995 110.854 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -110.68 112.51 24.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 74.219999999999999 110.877 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -119.48 101.35 7.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 71.409999999999997 110.82 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 8' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' C' ' 8' ' ' SER . 2.7 p -153.38 174.96 13.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 73.310000000000002 110.889 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.01 -4.19 44.99 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.748 -0.739 . . . . 73.340000000000003 112.462 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.17 115.71 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.823 0.344 . . . . 71.420000000000002 110.922 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -110.39 120.41 42.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 75.329999999999998 110.862 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 12' ' ' VAL . . . . . 0.775 HG12 HG22 ' E' ' 12' ' ' VAL . 19.7 m -131.11 132.45 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 71.219999999999999 111.12 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -130.22 117.41 19.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 64.299999999999997 110.876 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -123.4 122.0 37.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 72.120000000000005 110.894 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -124.94 133.39 53.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 71.349999999999994 110.928 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 16' ' ' LYS . . . . . 0.53 ' O ' HD22 ' D' ' 17' ' ' LEU . 12.4 tptm -124.52 115.52 21.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 55.509999999999998 110.912 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.53 HD22 ' O ' ' D' ' 16' ' ' LYS . 4.0 mm? -123.48 110.74 15.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 52.399999999999999 110.889 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.712 HG12 ' CG2' ' E' ' 18' ' ' VAL . 35.3 m -121.0 123.25 69.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 53.299999999999997 111.099 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.681 ' CE2' HD23 ' E' ' 34' ' ' LEU . 2.1 m-85 -112.43 129.2 56.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 75.120000000000005 110.868 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 61.54 67.35 0.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 74.409999999999997 110.895 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.37 114.31 28.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 63.240000000000002 111.103 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 64.44 108.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 34.43 110.852 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.706 HG21 ' ND2' ' D' ' 27' ' ' ASN . 7.2 p -151.37 132.35 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 73.450000000000003 111.101 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.84 -71.42 0.87 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.765 -0.731 . . . . 34.299999999999997 112.471 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -144.56 123.58 12.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 75.540000000000006 110.868 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.706 ' ND2' HG21 ' D' ' 24' ' ' VAL . 2.2 m120 -97.97 115.57 28.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 74.310000000000002 110.894 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -114.88 165.73 12.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 71.329999999999998 110.911 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.06 -147.74 11.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 42.530000000000001 112.518 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.47 ' HB2' ' CE1' ' I' ' 4' ' ' PHE . . . -88.4 113.92 24.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.768 0.318 . . . . 71.409999999999997 111.122 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.445 HG23 ' HB ' ' C' ' 31' ' ' ILE . 0.7 OUTLIER -123.83 124.38 69.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 74.349999999999994 111.137 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.453 HG21 ' HB2' ' D' ' 35' ' ' MET . 3.3 mp -127.92 117.54 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 71.030000000000001 111.157 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.35 -26.56 25.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 33.240000000000002 112.483 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.963 HD12 HD22 ' E' ' 34' ' ' LEU . 3.1 tm? -150.19 106.26 3.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.834 0.349 . . . . 74.219999999999999 110.904 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.453 ' HB2' HG21 ' D' ' 32' ' ' ILE . 3.0 ttp -124.59 123.46 40.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 61.399999999999999 110.865 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 40.6 t -115.44 110.98 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 75.420000000000002 111.151 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.59 25.55 21.45 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.715 -0.755 . . . . 63.219999999999999 112.481 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.62 -172.03 45.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 54.340000000000003 112.476 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.876 HG23 HG13 ' C' ' 39' ' ' VAL . 4.2 p -169.22 144.22 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.911 0.386 . . . . 75.319999999999993 111.111 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.556 HG22 HG12 ' C' ' 40' ' ' VAL . 21.8 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 74.109999999999999 111.093 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.85 0.357 . . . . 74.530000000000001 110.846 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.71 82.62 1.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 74.329999999999998 111.084 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 3' ' ' GLU . . . . . 0.447 ' CA ' ' HA2' ' J' ' 29' ' ' GLY . 2.4 mp0 -51.31 -53.99 30.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 74.329999999999998 110.907 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 4' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' J' ' 30' ' ' ALA . 0.4 OUTLIER -135.52 115.7 13.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 70.450000000000003 110.885 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.3 108.21 14.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 75.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -111.22 112.95 25.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 65.430000000000007 110.854 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -117.6 100.76 7.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 65.120000000000005 110.899 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 2.7 p -155.35 170.04 22.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 73.200000000000003 110.869 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.95 -2.85 45.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 62.329999999999998 112.474 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -169.82 112.65 0.48 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.793 0.33 . . . . 62.130000000000003 110.931 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -113.29 120.08 39.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 73.200000000000003 110.906 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 12' ' ' VAL . . . . . 0.775 HG22 HG12 ' D' ' 12' ' ' VAL . 21.4 m -129.93 132.97 65.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 75.230000000000004 111.149 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -130.02 116.24 18.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 71.510000000000005 110.839 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 -120.92 121.85 38.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 64.140000000000001 110.868 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -124.17 134.34 53.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 73.140000000000001 110.944 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 16' ' ' LYS . . . . . 0.521 ' O ' HD22 ' E' ' 17' ' ' LEU . 12.3 tptm -124.66 115.3 20.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 75.230000000000004 110.926 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.521 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.2 mm? -124.4 109.27 13.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 72.010000000000005 110.907 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.712 ' CG2' HG12 ' D' ' 18' ' ' VAL . 27.2 m -119.09 123.9 72.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 71.230000000000004 111.098 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.494 ' HE1' HD12 ' E' ' 17' ' ' LEU . 1.7 m-85 -111.42 127.97 55.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 75.329999999999998 110.887 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 60.36 68.47 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 75.409999999999997 110.905 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.89 114.87 29.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 74.439999999999998 111.099 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 64.41 108.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 64.430000000000007 110.86 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.716 HG21 ' ND2' ' E' ' 27' ' ' ASN . 7.6 p -151.62 131.61 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 52.140000000000001 111.089 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.63 -71.55 0.85 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 71.129999999999995 112.49 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -144.21 123.24 12.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 41.439999999999998 110.851 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.716 ' ND2' HG21 ' E' ' 24' ' ' VAL . 2.3 m120 -97.78 115.23 27.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 75.540000000000006 110.913 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -114.75 165.34 12.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 53.43 110.886 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.13 -147.1 13.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 33.100000000000001 112.44 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.479 ' HB2' ' CE1' ' J' ' 4' ' ' PHE . . . -88.45 113.93 24.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 62.020000000000003 111.117 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -123.43 124.4 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 63.039999999999999 111.12 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.434 HG21 ' HB2' ' E' ' 35' ' ' MET . 3.2 mp -129.28 116.12 38.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 74.129999999999995 111.142 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.12 -22.91 31.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 71.5 112.481 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.963 HD22 HD12 ' D' ' 34' ' ' LEU . 3.4 tm? -151.44 106.09 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 63.229999999999997 110.899 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.434 ' HB2' HG21 ' E' ' 32' ' ' ILE . 2.9 ttp -126.09 124.77 41.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 64.400000000000006 110.902 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 29.2 t -118.55 110.22 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 72.349999999999994 111.098 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.85 24.64 27.29 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 74.209999999999994 112.519 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.13 -172.54 44.78 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.727 -0.749 . . . . 63.409999999999997 112.464 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.869 HG23 HG13 ' D' ' 39' ' ' VAL . 4.5 p -169.27 144.14 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 74.329999999999998 111.097 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.493 HG22 HG12 ' D' ' 40' ' ' VAL . 21.9 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 74.420000000000002 111.135 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.813 0.339 . . . . 34.43 110.902 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.31 79.34 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 32.210000000000001 111.1 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -51.92 -53.81 36.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 74.349999999999994 110.886 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 4' ' ' PHE . . . . . 0.447 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -137.34 115.52 11.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 55.240000000000002 110.875 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.04 109.08 14.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 72.140000000000001 110.879 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -110.25 112.02 23.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 55.009999999999998 110.835 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -121.07 101.98 8.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 61.219999999999999 110.853 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 2.7 p -151.62 176.63 11.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 60.509999999999998 110.898 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.83 -2.36 49.32 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.728 -0.749 . . . . 51.030000000000001 112.458 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 10' ' ' TYR . . . . . 0.46 ' HD1' HG13 ' F' ' 12' ' ' VAL . 1.3 t80 -172.14 118.55 0.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.883 0.373 . . . . 74.030000000000001 110.907 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -108.23 118.49 36.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 73.019999999999996 110.824 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 0.703 HG12 HG22 ' G' ' 12' ' ' VAL . 19.9 m -135.31 132.72 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 72.310000000000002 111.116 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -131.5 115.57 16.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 64.430000000000007 110.847 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -124.56 119.65 29.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 73.450000000000003 110.884 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -121.84 133.11 54.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 72.430000000000007 110.896 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 16' ' ' LYS . . . . . 0.443 ' O ' HD22 ' F' ' 17' ' ' LEU . 12.2 tptm -124.9 115.42 20.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 61.210000000000001 110.92 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.508 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.2 mm? -121.76 109.15 14.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 72.400000000000006 110.924 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.716 HG12 ' CG2' ' G' ' 18' ' ' VAL . 35.4 m -118.75 122.65 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 75.109999999999999 111.152 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.601 ' CE2' HD23 ' G' ' 34' ' ' LEU . 4.7 m-85 -117.66 131.3 56.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 73.230000000000004 110.871 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 63.57 64.5 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 61.210000000000001 110.885 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.27 112.68 25.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 60.219999999999999 111.121 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 64.79 110.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 72.340000000000003 110.885 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.69 HG21 ' ND2' ' F' ' 27' ' ' ASN . 7.0 p -151.07 134.23 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 75.510000000000005 111.146 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.63 -73.92 0.5 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 71.400000000000006 112.499 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -143.45 123.32 13.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.914 0.388 . . . . 63.130000000000003 110.831 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 27' ' ' ASN . . . . . 0.69 ' ND2' HG21 ' F' ' 24' ' ' VAL . 2.3 m120 -98.73 114.75 27.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 74.120000000000005 110.915 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -113.99 167.65 10.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 72.310000000000002 110.929 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 29' ' ' GLY . . . . . 0.463 ' HA2' ' CA ' ' A' ' 3' ' ' GLU . . . 50.42 -150.48 5.6 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.743 -0.741 . . . . 53.32 112.491 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.468 ' HB2' ' CE1' ' A' ' 4' ' ' PHE . . . -85.89 113.36 21.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.8 0.333 . . . . 74.519999999999996 111.07 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.41 129.4 75.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 74.420000000000002 111.11 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.55 HG21 ' HB2' ' F' ' 35' ' ' MET . 3.4 mp -127.79 119.35 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 72.150000000000006 111.171 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.92 -30.15 26.86 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.759 -0.734 . . . . 71.409999999999997 112.491 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.628 HD12 HD22 ' G' ' 34' ' ' LEU . 2.1 tm? -156.15 109.77 2.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 73.540000000000006 110.917 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 35' ' ' MET . . . . . 0.55 ' HB2' HG21 ' F' ' 32' ' ' ILE . 2.8 ttp -124.54 127.6 47.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 75.510000000000005 110.894 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 39.3 t -114.54 112.22 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 65.25 111.109 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.48 24.98 26.0 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.783 -0.723 . . . . 74.010000000000005 112.495 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.06 -173.63 47.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.783 -0.722 . . . . 62.020000000000003 112.498 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.857 HG13 HG23 ' G' ' 39' ' ' VAL . 5.7 p -169.57 145.39 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 73.120000000000005 111.165 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.489 HG12 HG22 ' G' ' 40' ' ' VAL . 22.0 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 62.119999999999997 111.16 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.814 0.34 . . . . 74.540000000000006 110.901 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.05 79.76 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.510000000000005 111.113 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -51.0 -53.26 34.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 73.450000000000003 110.908 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 4' ' ' PHE . . . . . 0.473 ' CE1' ' HB2' ' B' ' 30' ' ' ALA . 0.4 OUTLIER -136.29 115.6 12.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 72.209999999999994 110.89 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.54 108.97 14.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 74.129999999999995 110.862 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -110.02 112.71 24.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 72.450000000000003 110.839 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -121.59 101.37 7.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 73.239999999999995 110.833 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 8' ' ' SER . . . . . 0.43 ' O ' ' HA ' ' H' ' 8' ' ' SER . 2.8 p -152.76 176.32 11.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 65.400000000000006 110.832 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.49 -3.9 46.8 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.692 -0.766 . . . . 54.32 112.463 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 10' ' ' TYR . . . . . 0.432 ' HD1' HG13 ' G' ' 12' ' ' VAL . 1.3 t80 -172.44 115.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 64.129999999999995 110.913 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -107.46 118.28 36.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 75.319999999999993 110.892 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 12' ' ' VAL . . . . . 0.708 HG12 HG22 ' H' ' 12' ' ' VAL . 19.1 m -132.17 132.31 60.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 72.340000000000003 111.131 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -129.83 118.59 22.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 64.319999999999993 110.796 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -126.15 119.94 28.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 71.420000000000002 110.869 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -122.88 133.09 54.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 74.109999999999999 110.948 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 16' ' ' LYS . . . . . 0.484 ' O ' HD22 ' G' ' 17' ' ' LEU . 12.3 tptm -125.19 115.7 20.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 71.200000000000003 110.904 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.508 HD13 ' HB2' ' F' ' 17' ' ' LEU . 4.1 mm? -122.21 109.62 14.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 72.099999999999994 110.905 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.716 ' CG2' HG12 ' F' ' 18' ' ' VAL . 34.9 m -119.68 122.13 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 53.509999999999998 111.148 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.666 ' CE2' HD23 ' H' ' 34' ' ' LEU . 2.9 m-85 -115.18 131.09 57.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 63.43 110.916 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 0.421 ' HZ ' HG22 ' G' ' 31' ' ' ILE . 1.8 m-85 62.59 65.5 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 71.439999999999998 110.877 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.65 113.1 26.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 40.340000000000003 111.153 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 64.81 110.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 73.040000000000006 110.852 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.712 HG21 ' ND2' ' G' ' 27' ' ' ASN . 6.6 p -151.42 133.48 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 74.329999999999998 111.103 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.38 -72.35 0.71 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 55.530000000000001 112.493 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -143.94 124.06 13.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 74.409999999999997 110.836 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 27' ' ' ASN . . . . . 0.712 ' ND2' HG21 ' G' ' 24' ' ' VAL . 2.3 m120 -99.6 114.71 27.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 75.439999999999998 110.929 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -114.33 167.72 10.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 74.239999999999995 110.885 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 29' ' ' GLY . . . . . 0.43 ' HA2' ' CA ' ' B' ' 3' ' ' GLU . . . 50.61 -149.48 6.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.809 -0.71 . . . . 73.400000000000006 112.441 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.52 ' HB2' ' CE1' ' B' ' 4' ' ' PHE . . . -86.33 114.37 23.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.769 0.319 . . . . 75.450000000000003 111.088 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.427 ' HB ' HG23 ' H' ' 31' ' ' ILE . 0.8 OUTLIER -123.36 127.42 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 71.349999999999994 111.147 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.529 HG21 ' HB2' ' G' ' 35' ' ' MET . 3.4 mp -128.02 119.14 50.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 74.310000000000002 111.167 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.8 -29.45 20.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 61.119999999999997 112.467 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.863 HD12 HD22 ' H' ' 34' ' ' LEU . 2.7 tm? -152.96 107.96 3.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.826 0.346 . . . . 63.549999999999997 110.912 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.529 ' HB2' HG21 ' G' ' 32' ' ' ILE . 2.8 ttp -124.02 125.2 44.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 63.450000000000003 110.855 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 39.6 t -115.04 111.12 34.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 73.140000000000001 111.14 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.81 25.2 29.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 32.109999999999999 112.473 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.49 -173.37 47.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 75.209999999999994 112.483 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.879 HG13 HG23 ' H' ' 39' ' ' VAL . 4.4 p -169.55 145.17 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 73.310000000000002 111.173 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.598 HG12 HG22 ' H' ' 40' ' ' VAL . 22.0 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 73.150000000000006 111.184 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.816 0.341 . . . . 73.340000000000003 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.75 79.19 1.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 64.120000000000005 111.112 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -51.49 -53.64 35.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 72.129999999999995 110.854 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 4' ' ' PHE . . . . . 0.483 ' CE1' ' HB2' ' C' ' 30' ' ' ALA . 0.4 OUTLIER -136.78 115.56 12.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 61.229999999999997 110.846 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.57 109.01 14.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 62.009999999999998 110.881 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -110.68 111.74 23.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 74.040000000000006 110.857 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -119.99 101.53 7.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 70.040000000000006 110.813 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 8' ' ' SER . . . . . 0.439 ' O ' ' HA ' ' I' ' 8' ' ' SER . 2.7 p -153.05 176.06 12.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 72.409999999999997 110.86 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.09 -4.25 44.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.763 -0.732 . . . . 44.130000000000003 112.504 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 10' ' ' TYR . . . . . 0.406 ' HD1' HG13 ' H' ' 12' ' ' VAL . 1.3 t80 -172.41 115.68 0.32 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 54.539999999999999 110.907 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -108.26 119.15 38.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 73.540000000000006 110.882 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 0.71 HG12 HG22 ' I' ' 12' ' ' VAL . 18.7 m -131.44 132.58 62.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 75.219999999999999 111.129 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -130.2 118.65 21.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 71.299999999999997 110.867 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -125.41 120.32 30.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 72.349999999999994 110.87 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -123.55 132.94 54.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 72.109999999999999 110.9 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 16' ' ' LYS . . . . . 0.506 ' O ' HD22 ' H' ' 17' ' ' LEU . 12.3 tptm -124.82 115.78 21.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 73.450000000000003 110.903 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.507 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.1 mm? -122.81 109.98 14.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 74.150000000000006 110.922 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.712 ' CG2' HG12 ' G' ' 18' ' ' VAL . 34.6 m -120.53 123.02 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 71.230000000000004 111.16 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.699 ' CE2' HD23 ' I' ' 34' ' ' LEU . 2.4 m-85 -114.28 130.31 56.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 73.109999999999999 110.859 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 62.08 66.49 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 64.310000000000002 110.906 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.54 113.75 27.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 62.130000000000003 111.091 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 64.6 109.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 74.340000000000003 110.848 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 24' ' ' VAL . . . . . 0.722 HG21 ' ND2' ' H' ' 27' ' ' ASN . 6.3 p -151.52 133.02 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 53.509999999999998 111.131 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.55 -71.84 0.8 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 63.149999999999999 112.472 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -144.23 123.59 13.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.899 0.381 . . . . 64.209999999999994 110.844 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 27' ' ' ASN . . . . . 0.722 ' ND2' HG21 ' H' ' 24' ' ' VAL . 2.2 m120 -98.71 114.73 27.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 72.310000000000002 110.856 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -114.4 167.41 10.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 71.510000000000005 110.902 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 29' ' ' GLY . . . . . 0.44 ' HA2' ' CA ' ' C' ' 3' ' ' GLU . . . 50.8 -149.46 6.84 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 74.120000000000005 112.508 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 30' ' ' ALA . . . . . 0.505 ' HB2' ' CE1' ' C' ' 4' ' ' PHE . . . -86.76 114.55 23.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.754 0.312 . . . . 70.120000000000005 111.068 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.443 ' HB ' HG23 ' I' ' 31' ' ' ILE . 0.7 OUTLIER -123.84 126.18 72.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 64.120000000000005 111.137 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' H' H ' 32' ' ' ILE . . . . . 0.489 HG21 ' HB2' ' H' ' 35' ' ' MET . 3.3 mp -128.23 117.66 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 71.239999999999995 111.139 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.39 -28.4 22.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 53.439999999999998 112.545 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.924 HD12 HD22 ' I' ' 34' ' ' LEU . 2.9 tm? -151.08 107.49 3.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.347 . . . . 65.140000000000001 110.881 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 35' ' ' MET . . . . . 0.489 ' HB2' HG21 ' H' ' 32' ' ' ILE . 2.9 ttp -124.76 123.98 41.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 53.219999999999999 110.861 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 39.5 t -114.34 111.08 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 75.439999999999998 111.121 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.69 25.59 22.34 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.779 -0.724 . . . . 43.450000000000003 112.494 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.33 -172.95 47.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 44.140000000000001 112.474 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.879 HG23 HG13 ' G' ' 39' ' ' VAL . 4.5 p -169.58 145.01 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.844 0.354 . . . . 64.439999999999998 111.177 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' H' H ' 40' ' ' VAL . . . . . 0.598 HG22 HG12 ' G' ' 40' ' ' VAL . 22.4 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 72.430000000000007 111.11 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.804 0.335 . . . . 74.340000000000003 110.894 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.41 78.75 1.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 75.430000000000007 111.135 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -51.74 -53.56 38.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 43.200000000000003 110.913 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 4' ' ' PHE . . . . . 0.47 ' CE1' ' HB2' ' D' ' 30' ' ' ALA . 0.4 OUTLIER -136.43 115.39 12.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 73.140000000000001 110.827 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.22 108.92 14.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 74.340000000000003 110.867 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -111.27 111.33 22.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 65.200000000000003 110.866 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -119.05 101.52 8.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 73.230000000000004 110.864 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 8' ' ' SER . . . . . 0.439 ' HA ' ' O ' ' H' ' 8' ' ' SER . 2.7 p -153.36 174.75 13.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 42.420000000000002 110.87 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.33 -3.89 44.11 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 71.150000000000006 112.477 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.2 115.15 0.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.853 0.358 . . . . 73.549999999999997 110.913 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -109.59 120.09 41.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 64.040000000000006 110.919 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 12' ' ' VAL . . . . . 0.746 HG12 HG22 ' J' ' 12' ' ' VAL . 19.7 m -131.2 132.45 63.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 72.239999999999995 111.107 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -130.54 117.6 19.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 73.209999999999994 110.866 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -123.64 121.15 34.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 70.430000000000007 110.886 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -124.1 133.28 53.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 71.040000000000006 110.885 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 16' ' ' LYS . . . . . 0.525 ' O ' HD22 ' I' ' 17' ' ' LEU . 12.4 tptm -124.55 115.9 21.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 53.509999999999998 110.905 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.525 HD22 ' O ' ' I' ' 16' ' ' LYS . 4.1 mm? -123.69 110.32 14.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 72.329999999999998 110.955 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 18' ' ' VAL . . . . . 0.714 HG12 ' CG2' ' J' ' 18' ' ' VAL . 34.9 m -120.84 123.66 70.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 72.549999999999997 111.087 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 19' ' ' PHE . . . . . 0.686 ' CE2' HD23 ' J' ' 34' ' ' LEU . 2.2 m-85 -112.88 129.0 56.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 75.040000000000006 110.877 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 61.63 67.54 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 61.539999999999999 110.906 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.48 114.61 28.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 72.239999999999995 111.073 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 64.37 109.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 74.519999999999996 110.854 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.721 HG21 ' ND2' ' I' ' 27' ' ' ASN . 7.0 p -151.75 132.86 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 71.409999999999997 111.181 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.43 -70.89 0.98 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.749 -0.739 . . . . 73.030000000000001 112.511 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -144.63 123.27 12.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 74.420000000000002 110.828 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 27' ' ' ASN . . . . . 0.721 ' ND2' HG21 ' I' ' 24' ' ' VAL . 2.3 m120 -98.17 114.31 26.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 70.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -114.41 167.34 10.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 65.040000000000006 110.902 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 29' ' ' GLY . . . . . 0.441 ' HA2' ' CA ' ' D' ' 3' ' ' GLU . . . 51.09 -149.59 7.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 73.439999999999998 112.538 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.522 ' HB2' ' CE1' ' D' ' 4' ' ' PHE . . . -87.23 113.83 23.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.819 0.342 . . . . 72.25 111.054 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.443 HG23 ' HB ' ' H' ' 31' ' ' ILE . 0.6 OUTLIER -123.7 125.84 71.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 70.040000000000006 111.146 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' I' I ' 32' ' ' ILE . . . . . 0.457 HG21 ' HB2' ' I' ' 35' ' ' MET . 3.4 mp -128.28 117.58 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 70.200000000000003 111.162 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.52 -27.6 21.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 61.140000000000001 112.479 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.955 HD12 HD22 ' J' ' 34' ' ' LEU . 3.1 tm? -149.82 106.35 3.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 74.129999999999995 110.947 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 35' ' ' MET . . . . . 0.457 ' HB2' HG21 ' I' ' 32' ' ' ILE . 2.9 ttp -123.78 123.26 40.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 45.530000000000001 110.854 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 39.6 t -115.09 110.29 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 74.409999999999997 111.125 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.37 25.52 19.83 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 71.420000000000002 112.524 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.01 -172.48 46.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 62.439999999999998 112.478 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 0.876 HG23 HG13 ' H' ' 39' ' ' VAL . 4.5 p -169.53 145.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.912 0.387 . . . . 74.219999999999999 111.152 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' I' I ' 40' ' ' VAL . . . . . 0.52 HG22 HG12 ' H' ' 40' ' ' VAL . 21.9 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 71.420000000000002 111.125 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.824 0.345 . . . . 74.310000000000002 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.58 78.92 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 52.310000000000002 111.092 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -51.82 -53.67 37.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 70.109999999999999 110.894 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 4' ' ' PHE . . . . . 0.479 ' CE1' ' HB2' ' E' ' 30' ' ' ALA . 0.4 OUTLIER -135.67 115.63 13.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 75.120000000000005 110.887 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.79 108.54 14.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 74.219999999999999 110.871 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -111.41 111.82 23.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 63.340000000000003 110.83 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -117.91 101.11 8.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 51.32 110.861 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -155.6 169.17 24.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 73.140000000000001 110.885 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.8 -2.84 46.25 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 74.430000000000007 112.455 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -169.69 111.86 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.894 0.378 . . . . 63.140000000000001 110.895 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -112.21 120.07 40.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 71.329999999999998 110.868 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 0.746 HG22 HG12 ' I' ' 12' ' ' VAL . 21.6 m -130.22 132.84 64.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 62.140000000000001 111.135 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -129.81 116.71 19.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 72.109999999999999 110.811 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -121.59 121.33 37.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 74.340000000000003 110.808 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -123.98 134.28 53.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 73.140000000000001 110.901 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 16' ' ' LYS . . . . . 0.521 ' O ' HD22 ' J' ' 17' ' ' LEU . 12.2 tptm -124.77 115.44 20.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 74.340000000000003 110.928 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.521 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.2 mm? -124.31 108.92 12.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 72.319999999999993 110.915 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.714 ' CG2' HG12 ' I' ' 18' ' ' VAL . 27.2 m -119.05 124.06 72.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 72.140000000000001 111.142 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.496 ' HE1' HD12 ' J' ' 17' ' ' LEU . 1.8 m-85 -111.6 127.5 55.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 74.140000000000001 110.866 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 60.47 68.56 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 71.409999999999997 110.917 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.85 115.33 30.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 52.130000000000003 111.145 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 64.23 108.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 74.299999999999997 110.867 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.727 HG21 ' ND2' ' J' ' 27' ' ' ASN . 7.6 p -151.6 132.56 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 73.25 111.143 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.5 -71.18 0.93 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 61.109999999999999 112.467 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -143.78 122.86 12.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.38 . . . . 72.310000000000002 110.865 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 27' ' ' ASN . . . . . 0.727 ' ND2' HG21 ' J' ' 24' ' ' VAL . 2.3 m120 -98.08 113.15 24.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 72.140000000000001 110.915 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -114.51 167.14 10.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 72.420000000000002 110.921 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 29' ' ' GLY . . . . . 0.447 ' HA2' ' CA ' ' E' ' 3' ' ' GLU . . . 51.66 -149.27 8.63 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 62.25 112.462 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 0.534 ' HB2' ' CE1' ' E' ' 4' ' ' PHE . . . -87.49 113.42 23.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.307 . . . . 63.009999999999998 111.136 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -123.23 126.5 73.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 70.540000000000006 111.117 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 32' ' ' ILE . . . . . 0.454 HG21 ' HB2' ' J' ' 35' ' ' MET . 3.4 mp -130.15 116.32 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 74.409999999999997 111.104 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.03 -24.48 27.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 55.210000000000001 112.445 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.955 HD22 HD12 ' I' ' 34' ' ' LEU . 3.4 tm? -150.75 106.05 3.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.822 0.344 . . . . 74.420000000000002 110.957 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 35' ' ' MET . . . . . 0.454 ' HB2' HG21 ' J' ' 32' ' ' ILE . 2.9 ttp -124.96 124.27 41.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 61.43 110.841 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 38.4 t -118.05 109.82 28.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 61.219999999999999 111.125 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.63 24.75 26.15 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 54.140000000000001 112.514 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.7 -173.35 45.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 22.510000000000002 112.527 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.867 HG23 HG13 ' I' ' 39' ' ' VAL . 4.4 p -169.56 145.02 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 73.040000000000006 111.101 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.438 HG22 HG12 ' I' ' 40' ' ' VAL . 22.6 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 74.519999999999996 111.146 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.796 0.331 . . . . 70.209999999999994 110.862 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.09 86.66 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 74.129999999999995 111.103 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.74 -30.13 30.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 74.519999999999996 110.953 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.646 ' CE2' ' HB2' ' F' ' 30' ' ' ALA . 0.3 OUTLIER -161.39 114.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 63.340000000000003 110.886 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -135.6 108.99 7.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 51.109999999999999 110.885 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -109.46 128.82 55.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 72.430000000000007 110.82 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -133.43 101.95 5.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 74.450000000000003 110.883 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.4 t -147.61 176.68 9.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 72.299999999999997 110.879 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.33 -10.07 56.2 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.749 . . . . 63.219999999999999 112.497 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -172.47 116.91 0.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 53.0 110.942 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -102.12 119.02 38.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 64.010000000000005 110.882 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.493 HG23 HG13 ' B' ' 12' ' ' VAL . 4.2 p -139.4 118.56 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 74.439999999999998 111.108 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -117.11 114.09 23.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 71.230000000000004 110.846 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -119.34 122.62 42.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 74.030000000000001 110.867 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.31 134.36 46.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 72.450000000000003 110.88 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -132.49 119.59 20.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 72.340000000000003 110.885 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.581 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.4 mm? -121.39 110.49 16.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 73.209999999999994 110.91 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.606 ' CG1' ' HB2' ' A' ' 21' ' ' ALA . 88.1 t -113.48 112.21 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 73.319999999999993 111.134 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.556 ' HE1' HD12 ' A' ' 17' ' ' LEU . 7.7 m-85 -104.85 105.03 14.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 52.420000000000002 110.863 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.562 ' CE2' HG22 ' A' ' 31' ' ' ILE . 0.9 OUTLIER 64.14 89.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 52.009999999999998 110.924 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.606 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . . . -116.15 132.21 56.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.492 . . . . 74.219999999999999 111.066 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 62.37 90.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 73.010000000000005 110.881 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.595 HG13 HG23 ' B' ' 24' ' ' VAL . 6.1 p -129.38 130.7 67.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 62.229999999999997 111.138 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.68 -53.1 48.13 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 64.129999999999995 112.5 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.71 129.93 6.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.868 0.366 . . . . 71.340000000000003 110.873 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.593 ' HB3' HD12 ' B' ' 31' ' ' ILE . 18.9 m120 -95.97 106.94 19.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 71.420000000000002 110.856 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.723 ' O ' HD11 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -114.67 135.79 53.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 63.399999999999999 110.908 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.78 -149.76 38.6 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 73.430000000000007 112.512 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.697 ' O ' HD13 ' A' ' 31' ' ' ILE . . . -83.83 114.3 21.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.749 0.309 . . . . 70.150000000000006 111.127 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.723 HD11 ' O ' ' A' ' 28' ' ' LYS . 5.4 mm -126.87 114.86 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 74.129999999999995 111.15 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.491 HG21 ' CG ' ' A' ' 35' ' ' MET . 6.1 mt -134.68 121.23 34.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 64.099999999999994 111.113 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.65 -44.15 68.84 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 63.130000000000003 112.508 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.703 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -173.49 148.86 1.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 64.150000000000006 110.94 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.491 ' CG ' HG21 ' A' ' 32' ' ' ILE . 59.6 mtp -128.14 123.46 34.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 72.099999999999994 110.886 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.871 HG21 HG11 ' F' ' 36' ' ' VAL . 99.9 t -118.38 114.66 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 53.43 111.117 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.29 19.81 62.38 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 51.25 112.521 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.75 -162.84 29.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 71.120000000000005 112.483 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.887 HG13 HG23 ' B' ' 39' ' ' VAL . 7.6 p -169.26 136.83 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 75.420000000000002 111.126 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.429 HG12 ' CG2' ' B' ' 40' ' ' VAL . 16.4 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 53.420000000000002 111.171 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.764 0.316 . . . . 63.100000000000001 110.881 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.47 86.92 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 30.109999999999999 111.074 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.34 -29.14 22.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.209999999999994 110.897 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.636 ' CE2' ' HB2' ' G' ' 30' ' ' ALA . 0.3 OUTLIER -161.8 114.94 1.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 72.540000000000006 110.88 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -134.57 108.61 8.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 71.239999999999995 110.861 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -109.13 128.43 55.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 65.120000000000005 110.828 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -132.69 101.77 5.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 74.530000000000001 110.917 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' C' ' 8' ' ' SER . 2.5 t -147.44 176.02 10.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 61.329999999999998 110.858 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.49 -10.45 55.63 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 72.230000000000004 112.534 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -172.37 115.07 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 72.510000000000005 110.901 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -101.31 118.63 37.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 61.240000000000002 110.842 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.493 HG13 HG23 ' A' ' 12' ' ' VAL . 3.4 p -138.33 116.97 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 41.509999999999998 111.125 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -115.72 113.56 23.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 71.25 110.897 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -118.47 123.04 44.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 74.540000000000006 110.873 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.0 133.26 45.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 73.219999999999999 110.871 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.428 ' C ' HD22 ' B' ' 17' ' ' LEU . 7.6 tptm -127.16 122.11 33.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 61.520000000000003 110.904 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.649 ' HB2' HD13 ' C' ' 17' ' ' LEU . 4.5 mm? -121.35 108.8 14.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 65.519999999999996 110.938 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.455 ' CG1' ' HB2' ' B' ' 21' ' ' ALA . 91.5 t -112.3 113.3 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 71.129999999999995 111.091 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.555 ' CE1' HD12 ' B' ' 17' ' ' LEU . 6.4 m-85 -108.73 100.94 10.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 75.430000000000007 110.888 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.592 ' CE2' HG22 ' B' ' 31' ' ' ILE . 1.0 OUTLIER 63.92 89.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 71.420000000000002 110.868 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.455 ' HB2' ' CG1' ' B' ' 18' ' ' VAL . . . -115.53 131.37 56.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 72.549999999999997 111.146 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 61.85 90.78 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 64.010000000000005 110.947 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.626 HG13 HG23 ' C' ' 24' ' ' VAL . 5.7 p -128.62 130.89 69.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 73.049999999999997 111.174 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.94 -53.02 48.61 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.73 -0.748 . . . . 60.219999999999999 112.489 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.35 130.45 6.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 71.140000000000001 110.881 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.601 ' HB3' HD12 ' C' ' 31' ' ' ILE . 19.0 m120 -96.63 106.07 18.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 72.010000000000005 110.948 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.724 ' O ' HD11 ' B' ' 31' ' ' ILE . 0.7 OUTLIER -115.1 136.43 53.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 75.310000000000002 110.895 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.59 -149.29 36.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 70.430000000000007 112.496 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.714 ' O ' HD13 ' B' ' 31' ' ' ILE . . . -84.26 114.4 21.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.725 0.297 . . . . 71.239999999999995 111.066 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.724 HD11 ' O ' ' B' ' 28' ' ' LYS . 5.0 mm -127.26 116.56 44.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 74.349999999999994 111.138 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.409 HG21 ' HG2' ' B' ' 35' ' ' MET . 5.4 mt -134.3 124.02 44.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 70.299999999999997 111.097 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.56 -42.8 77.54 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 32.399999999999999 112.529 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.76 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -172.05 150.38 2.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.825 0.345 . . . . 71.310000000000002 110.936 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.473 ' CE ' HG13 ' B' ' 40' ' ' VAL . 50.2 mtp -127.7 124.46 37.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 62.539999999999999 110.872 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.683 HG21 HG11 ' G' ' 36' ' ' VAL . 98.3 t -126.78 112.83 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 73.420000000000002 111.082 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.27 19.12 59.25 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 75.340000000000003 112.507 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.17 -163.89 29.74 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.724 -0.751 . . . . 73.129999999999995 112.446 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.887 HG23 HG13 ' A' ' 39' ' ' VAL . 7.6 p -169.19 133.33 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 62.439999999999998 111.133 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.588 HG12 ' CG2' ' C' ' 40' ' ' VAL . 16.9 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 62.409999999999997 111.095 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.789 0.328 . . . . 70.530000000000001 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.95 86.48 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 24.41 111.129 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.63 -29.2 24.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 62.219999999999999 110.891 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 4' ' ' PHE . . . . . 0.622 ' CE2' ' HB2' ' H' ' 30' ' ' ALA . 0.3 OUTLIER -162.0 114.7 1.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 64.109999999999999 110.889 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -134.0 108.55 8.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 74.420000000000002 110.908 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -109.61 128.12 55.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 65.120000000000005 110.894 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -132.39 101.71 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 73.420000000000002 110.875 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 8' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' B' ' 8' ' ' SER . 2.6 t -147.35 175.5 10.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 72.230000000000004 110.838 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.85 -9.98 55.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 61.130000000000003 112.508 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -172.41 115.38 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.859 0.362 . . . . 74.430000000000007 110.914 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -101.86 119.28 38.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 71.099999999999994 110.926 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.5 HG23 HG13 ' D' ' 12' ' ' VAL . 3.8 p -138.09 117.67 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 75.010000000000005 111.126 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -116.4 113.44 22.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 73.109999999999999 110.823 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -117.81 123.72 46.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 54.130000000000003 110.851 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.29 132.98 44.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 71.349999999999994 110.898 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.474 ' C ' HD22 ' C' ' 17' ' ' LEU . 8.0 tptm -124.94 122.38 37.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 71.109999999999999 110.873 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.657 ' HB2' HD13 ' D' ' 17' ' ' LEU . 4.5 mm? -122.9 106.6 11.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 71.420000000000002 110.919 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.437 ' CG1' ' HB2' ' C' ' 21' ' ' ALA . 91.3 t -111.83 113.46 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 72.540000000000006 111.117 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.507 ' CE1' HD12 ' C' ' 17' ' ' LEU . 4.9 m-85 -108.37 99.52 8.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 72.430000000000007 110.91 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.591 ' CE2' HG22 ' C' ' 31' ' ' ILE . 1.0 OUTLIER 63.63 90.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 74.299999999999997 110.891 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 0.437 ' HB2' ' CG1' ' C' ' 18' ' ' VAL . . . -116.07 130.69 56.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 75.129999999999995 111.105 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 62.03 90.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 61.009999999999998 110.853 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.647 HG13 HG23 ' D' ' 24' ' ' VAL . 6.2 p -128.18 131.22 69.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 74.010000000000005 111.145 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.4 -52.89 48.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 42.420000000000002 112.51 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.41 130.77 6.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.868 0.366 . . . . 55.43 110.874 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.618 ' HB3' HD12 ' D' ' 31' ' ' ILE . 19.2 m120 -96.74 105.61 17.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 71.450000000000003 110.906 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.738 ' O ' HD11 ' C' ' 31' ' ' ILE . 0.7 OUTLIER -115.21 136.67 52.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 74.150000000000006 110.887 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.02 -149.85 36.63 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.702 -0.761 . . . . 74.099999999999994 112.542 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.71 ' O ' HD13 ' C' ' 31' ' ' ILE . . . -83.39 114.33 21.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.755 0.312 . . . . 63.340000000000003 111.101 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.738 HD11 ' O ' ' C' ' 28' ' ' LYS . 4.6 mm -127.4 116.88 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 74.420000000000002 111.142 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.42 HG21 ' HG2' ' C' ' 35' ' ' MET . 5.0 mt -133.24 124.05 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 74.200000000000003 111.137 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.54 -42.51 76.4 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 74.230000000000004 112.519 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.816 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -170.53 150.39 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 70.439999999999998 110.889 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.42 ' HG2' HG21 ' C' ' 32' ' ' ILE . 48.5 mtp -126.97 123.67 37.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 73.299999999999997 110.89 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.574 HG21 HG11 ' H' ' 36' ' ' VAL . 85.8 t -127.9 113.0 29.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 72.439999999999998 111.107 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.7 20.58 40.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 52.43 112.522 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.36 -164.6 32.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.785 -0.721 . . . . 74.329999999999998 112.544 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.719 HG23 HG13 ' B' ' 39' ' ' VAL . 7.6 p -168.64 133.38 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 72.219999999999999 111.152 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.588 ' CG2' HG12 ' B' ' 40' ' ' VAL . 17.1 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 70.150000000000006 111.142 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.86 0.362 . . . . 71.040000000000006 110.895 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.53 85.69 2.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 73.030000000000001 111.065 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.04 -28.99 27.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 44.210000000000001 110.881 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 4' ' ' PHE . . . . . 0.617 ' CE2' ' HB2' ' I' ' 30' ' ' ALA . 0.3 OUTLIER -162.08 114.75 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 75.540000000000006 110.867 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -133.84 108.77 8.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 74.019999999999996 110.896 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -110.55 128.02 55.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 74.450000000000003 110.819 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -131.75 101.95 5.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 64.219999999999999 110.858 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 8' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' C' ' 8' ' ' SER . 2.5 t -147.98 174.44 11.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 70.010000000000005 110.878 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.66 -9.63 54.42 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 73.420000000000002 112.5 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -172.1 114.61 0.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.853 0.358 . . . . 75.239999999999995 110.931 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -102.66 119.67 39.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 75.299999999999997 110.867 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 12' ' ' VAL . . . . . 0.5 HG13 HG23 ' C' ' 12' ' ' VAL . 4.3 p -137.33 117.95 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 72.140000000000001 111.138 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -116.45 113.83 23.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 74.150000000000006 110.883 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -117.5 124.1 47.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 64.099999999999994 110.83 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.25 133.25 45.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 74.040000000000006 110.895 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 16' ' ' LYS . . . . . 0.519 ' O ' HD22 ' D' ' 17' ' ' LEU . 8.2 tptm -124.31 120.72 32.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 72.299999999999997 110.944 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.657 HD13 ' HB2' ' C' ' 17' ' ' LEU . 4.4 mm? -124.01 105.51 9.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.42 . . . . 73.219999999999999 110.95 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.494 ' CG1' ' HB2' ' D' ' 21' ' ' ALA . 84.2 t -111.68 114.39 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 73.230000000000004 111.149 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.478 ' HE1' HD12 ' D' ' 17' ' ' LEU . 4.1 m-30 -106.46 98.05 7.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 62.149999999999999 110.914 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.596 ' CE2' HG22 ' D' ' 31' ' ' ILE . 1.0 OUTLIER 63.8 91.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 72.120000000000005 110.869 -179.907 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 21' ' ' ALA . . . . . 0.494 ' HB2' ' CG1' ' D' ' 18' ' ' VAL . . . -117.1 131.2 56.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 64.530000000000001 111.113 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 62.22 90.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 73.310000000000002 110.873 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.647 HG23 HG13 ' C' ' 24' ' ' VAL . 5.8 p -129.02 131.33 68.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 74.540000000000006 111.082 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.8 -53.08 46.14 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 23.52 112.488 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.31 130.9 7.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 72.400000000000006 110.854 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.529 ' HB3' HD12 ' E' ' 31' ' ' ILE . 73.1 m-20 -95.77 105.96 18.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 74.450000000000003 110.86 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 28' ' ' LYS . . . . . 0.732 ' O ' HD11 ' D' ' 31' ' ' ILE . 0.8 OUTLIER -116.05 136.65 52.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 60.409999999999997 110.896 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.39 -149.42 35.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 73.230000000000004 112.505 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.687 ' O ' HD13 ' D' ' 31' ' ' ILE . . . -83.76 114.62 21.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.802 0.335 . . . . 53.420000000000002 111.064 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.732 HD11 ' O ' ' D' ' 28' ' ' LYS . 4.3 mm -127.14 117.71 48.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 71.329999999999998 111.1 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.434 HG21 ' HG2' ' D' ' 35' ' ' MET . 4.8 mt -132.09 126.53 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 75.540000000000006 111.135 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.12 -42.12 95.0 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.734 -0.746 . . . . 43.329999999999998 112.464 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.724 HD22 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -170.66 146.61 2.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 71.209999999999994 110.932 -179.888 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.476 ' HE1' HG13 ' D' ' 40' ' ' VAL . 50.9 mtp -124.37 122.14 36.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 64.219999999999999 110.858 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.545 HG21 HG11 ' I' ' 36' ' ' VAL . 96.1 t -128.73 111.6 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 72.319999999999993 111.116 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.68 20.94 41.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 72.310000000000002 112.486 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.08 -164.34 31.13 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 74.109999999999999 112.501 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.676 HG23 HG13 ' C' ' 39' ' ' VAL . 7.3 p -168.93 135.85 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.879 0.371 . . . . 71.25 111.141 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.476 HG13 ' HE1' ' D' ' 35' ' ' MET . 18.1 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 71.349999999999994 111.105 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.812 0.339 . . . . 71.439999999999998 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.6 86.9 2.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 42.32 111.136 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.51 -29.26 24.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 64.230000000000004 110.934 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 4' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' J' ' 30' ' ' ALA . 0.3 OUTLIER -160.71 115.25 2.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 73.519999999999996 110.812 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -133.55 108.08 8.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 63.119999999999997 110.881 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -111.15 128.25 55.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 74.209999999999994 110.827 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -130.44 101.57 5.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 75.329999999999998 110.875 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 2.4 t -147.9 169.83 18.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 73.319999999999993 110.844 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.4 -8.99 57.17 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.786 -0.721 . . . . 43.350000000000001 112.443 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -170.6 111.64 0.39 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.87 0.367 . . . . 75.150000000000006 110.924 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -103.45 119.7 39.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 74.030000000000001 110.874 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 12' ' ' VAL . . . . . 0.479 HG13 HG23 ' D' ' 12' ' ' VAL . 4.5 p -137.29 118.73 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 73.340000000000003 111.126 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -116.38 113.49 22.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 72.299999999999997 110.832 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -116.42 125.52 52.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 62.310000000000002 110.896 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.51 134.89 46.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 71.299999999999997 110.92 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 16' ' ' LYS . . . . . 0.547 ' O ' HD22 ' E' ' 17' ' ' LEU . 8.2 tptm -124.26 119.83 30.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 70.209999999999994 110.9 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.55 HD12 ' HE1' ' E' ' 19' ' ' PHE . 4.3 mm? -126.01 106.91 9.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 62.420000000000002 110.887 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.534 ' CG1' ' HB2' ' E' ' 21' ' ' ALA . 87.3 t -112.06 118.4 57.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 74.120000000000005 111.145 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.55 ' HE1' HD12 ' E' ' 17' ' ' LEU . 4.3 m-85 -106.59 95.91 6.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 74.200000000000003 110.861 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.602 ' CE2' HG22 ' E' ' 31' ' ' ILE . 0.6 OUTLIER 62.98 91.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 72.319999999999993 110.908 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' E' E ' 21' ' ' ALA . . . . . 0.534 ' HB2' ' CG1' ' E' ' 18' ' ' VAL . . . -115.55 132.09 56.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 74.540000000000006 111.122 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 61.63 91.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 62.240000000000002 110.88 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.576 HG23 HG13 ' D' ' 24' ' ' VAL . 6.2 p -129.91 130.53 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 53.229999999999997 111.107 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.55 -52.57 47.94 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.656 -0.783 . . . . 55.530000000000001 112.511 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.39 131.78 7.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 61.32 110.87 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.418 HD22 HG11 ' E' ' 24' ' ' VAL . 75.1 m-20 -95.55 103.88 15.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 71.430000000000007 110.83 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 28' ' ' LYS . . . . . 0.693 ' O ' HD11 ' E' ' 31' ' ' ILE . 0.8 OUTLIER -116.09 137.48 52.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 75.25 110.896 179.849 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.56 -149.64 33.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 53.130000000000003 112.511 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.627 ' O ' HD13 ' E' ' 31' ' ' ILE . . . -83.59 115.03 21.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 63.530000000000001 111.079 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.693 HD11 ' O ' ' E' ' 28' ' ' LYS . 4.0 mm -124.48 116.83 48.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 60.329999999999998 111.1 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.506 HG21 ' CG ' ' E' ' 35' ' ' MET . 5.2 mt -125.91 122.28 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 74.230000000000004 111.123 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.31 -36.68 91.54 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.748 -0.739 . . . . 74.200000000000003 112.451 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.668 ' C ' HD22 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -171.06 148.02 2.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.792 0.33 . . . . 75.230000000000004 110.944 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.506 ' CG ' HG21 ' E' ' 32' ' ' ILE . 58.5 mtp -128.0 119.9 26.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 73.510000000000005 110.881 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.447 HG21 HG11 ' J' ' 36' ' ' VAL . 98.4 t -133.63 109.79 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 62.43 111.107 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.68 21.79 16.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.699 -0.763 . . . . 73.310000000000002 112.48 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.53 -163.96 30.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 70.340000000000003 112.519 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.52 HG23 HG13 ' D' ' 39' ' ' VAL . 7.4 p -169.22 136.26 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.904 0.383 . . . . 71.409999999999997 111.124 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 17.5 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 54.539999999999999 111.118 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.821 0.343 . . . . 72.049999999999997 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.81 86.92 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 63.030000000000001 111.099 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.51 -30.08 28.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 75.219999999999999 110.895 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 4' ' ' PHE . . . . . 0.664 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -161.03 115.23 2.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 62.329999999999998 110.863 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -135.37 108.97 7.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 71.400000000000006 110.898 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -109.63 128.42 55.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 75.230000000000004 110.888 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -133.23 102.03 5.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 55.200000000000003 110.884 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 2.5 t -147.09 176.37 9.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 75.219999999999999 110.869 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.01 -10.17 56.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 65.099999999999994 112.507 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -172.37 117.48 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 74.140000000000001 110.882 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -102.2 118.88 37.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.063 -0.517 . . . . 75.439999999999998 110.888 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 0.508 HG23 HG13 ' G' ' 12' ' ' VAL . 4.4 p -139.67 119.18 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 73.349999999999994 111.175 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 65.3 m170 -117.13 114.85 24.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 70.099999999999994 110.897 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -118.71 122.44 42.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 72.310000000000002 110.878 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.09 133.15 44.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 72.219999999999999 110.941 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -132.98 119.27 19.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 70.5 110.861 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.555 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.4 mm? -121.72 111.27 16.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 55.439999999999998 110.972 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.641 ' CG1' ' HB2' ' F' ' 21' ' ' ALA . 89.0 t -114.37 112.03 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 63.219999999999999 111.162 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.543 ' HE1' HD12 ' F' ' 17' ' ' LEU . 8.1 m-85 -103.98 105.23 15.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 74.530000000000001 110.872 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 20' ' ' PHE . . . . . 0.572 ' CE2' HG22 ' F' ' 31' ' ' ILE . 0.9 OUTLIER 64.28 88.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 71.329999999999998 110.894 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' F' F ' 21' ' ' ALA . . . . . 0.641 ' HB2' ' CG1' ' F' ' 18' ' ' VAL . . . -115.75 132.0 56.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 64.25 111.126 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 62.78 90.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 75.430000000000007 110.863 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.592 HG13 HG23 ' G' ' 24' ' ' VAL . 6.5 p -129.49 130.72 67.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 71.329999999999998 111.139 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.78 -52.93 49.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 35.240000000000002 112.505 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.5 129.68 6.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.895 0.379 . . . . 71.340000000000003 110.826 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 27' ' ' ASN . . . . . 0.563 ' HB3' HD12 ' G' ' 31' ' ' ILE . 18.3 m120 -96.03 105.92 18.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.400000000000006 110.911 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 28' ' ' LYS . . . . . 0.74 ' O ' HD11 ' F' ' 31' ' ' ILE . 0.8 OUTLIER -114.25 136.53 52.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 54.049999999999997 110.897 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.82 -151.08 40.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.726 . . . . 74.140000000000001 112.518 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.653 ' O ' HD13 ' F' ' 31' ' ' ILE . . . -83.5 114.05 21.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 73.540000000000006 111.089 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.74 HD11 ' O ' ' F' ' 28' ' ' LYS . 5.3 mm -126.23 116.22 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 64.120000000000005 111.106 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.501 HG21 ' CG ' ' F' ' 35' ' ' MET . 6.5 mt -135.09 120.68 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 74.129999999999995 111.128 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.33 -44.51 65.56 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 62.32 112.505 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.703 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -173.79 148.71 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.8 0.333 . . . . 71.329999999999998 110.916 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' F' F ' 35' ' ' MET . . . . . 0.501 ' CG ' HG21 ' F' ' 32' ' ' ILE . 58.5 mtp -127.68 123.52 35.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 54.329999999999998 110.893 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.871 HG11 HG21 ' A' ' 36' ' ' VAL . 94.5 t -119.02 115.28 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 71.299999999999997 111.151 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.01 19.26 61.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 72.420000000000002 112.449 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.07 -162.54 29.68 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 75.019999999999996 112.441 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.863 HG13 HG23 ' G' ' 39' ' ' VAL . 7.5 p -169.23 137.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 73.439999999999998 111.139 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 62.43 111.1 179.921 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.823 0.344 . . . . 52.310000000000002 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.56 87.07 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 73.019999999999996 111.12 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -51.99 -29.59 21.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 72.319999999999993 110.843 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 4' ' ' PHE . . . . . 0.657 ' CE2' ' HB2' ' B' ' 30' ' ' ALA . 0.3 OUTLIER -161.83 115.44 1.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 62.539999999999999 110.844 -179.868 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -134.36 108.66 8.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 74.219999999999999 110.874 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -108.9 128.3 54.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 74.239999999999995 110.874 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -132.55 101.82 5.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 73.439999999999998 110.855 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 8' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' H' ' 8' ' ' SER . 2.5 t -147.5 176.01 10.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 75.329999999999998 110.843 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.8 -10.58 55.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.75 . . . . 73.409999999999997 112.541 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -172.34 115.25 0.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.821 0.344 . . . . 75.140000000000001 110.95 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -101.44 118.62 37.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 71.310000000000002 110.87 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 12' ' ' VAL . . . . . 0.508 HG13 HG23 ' F' ' 12' ' ' VAL . 3.7 p -138.16 117.83 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 72.530000000000001 111.078 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -116.07 114.9 25.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 70.140000000000001 110.876 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -118.96 121.91 41.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 73.049999999999997 110.856 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -130.75 133.02 45.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 65.109999999999999 110.926 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 16' ' ' LYS . . . . . 0.413 ' C ' HD22 ' G' ' 17' ' ' LEU . 7.8 tptm -128.45 121.79 29.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 64.109999999999999 110.908 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.639 ' HB2' HD13 ' H' ' 17' ' ' LEU . 4.5 mm? -120.93 109.23 14.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 72.219999999999999 110.874 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' G' ' 21' ' ' ALA . 91.4 t -112.28 113.7 44.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 75.219999999999999 111.124 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.558 ' CE1' HD12 ' G' ' 17' ' ' LEU . 6.8 m-85 -108.79 100.92 10.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 74.430000000000007 110.882 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 0.582 ' CE2' HG22 ' G' ' 31' ' ' ILE . 0.9 OUTLIER 64.07 89.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 74.200000000000003 110.877 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' G' G ' 21' ' ' ALA . . . . . 0.471 ' HB2' ' CG1' ' G' ' 18' ' ' VAL . . . -115.62 131.73 56.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 73.319999999999993 111.105 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 62.38 90.29 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 62.43 110.923 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.621 HG13 HG23 ' H' ' 24' ' ' VAL . 5.7 p -128.85 130.91 68.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 73.319999999999993 111.13 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.27 -52.64 50.43 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 51.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.51 130.21 6.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.911 0.386 . . . . 73.540000000000006 110.859 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 27' ' ' ASN . . . . . 0.572 ' HB3' HD12 ' H' ' 31' ' ' ILE . 18.6 m120 -96.42 105.14 17.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.420000000000002 110.886 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 28' ' ' LYS . . . . . 0.734 ' O ' HD11 ' G' ' 31' ' ' ILE . 0.9 OUTLIER -114.43 137.23 52.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 71.109999999999999 110.89 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.38 -150.33 38.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 72.230000000000004 112.482 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.709 ' O ' HD13 ' G' ' 31' ' ' ILE . . . -83.74 114.41 21.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.696 0.284 . . . . 62.140000000000001 111.097 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.734 HD11 ' O ' ' G' ' 28' ' ' LYS . 4.9 mm -127.02 117.93 48.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 73.040000000000006 111.091 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.4 HG21 ' HG2' ' G' ' 35' ' ' MET . 5.6 mt -134.89 123.07 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 71.409999999999997 111.119 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.85 -43.25 70.6 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.76 -0.734 . . . . 35.020000000000003 112.519 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.77 HD22 ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -172.29 150.79 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 72.120000000000005 110.902 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.429 ' CE ' HG13 ' G' ' 40' ' ' VAL . 49.3 mtp -128.01 123.97 36.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 44.0 110.852 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.683 HG11 HG21 ' B' ' 36' ' ' VAL . 99.5 t -125.69 112.7 31.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 71.510000000000005 111.133 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.44 19.7 58.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 75.409999999999997 112.47 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.38 -163.9 30.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.696 -0.764 . . . . 21.41 112.533 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.863 HG23 HG13 ' F' ' 39' ' ' VAL . 7.4 p -169.43 134.32 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.896 0.379 . . . . 74.209999999999994 111.107 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.429 HG13 ' CE ' ' G' ' 35' ' ' MET . 21.4 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 71.040000000000006 111.157 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.788 0.328 . . . . 62.119999999999997 110.882 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.84 86.66 2.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 53.25 111.065 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -51.77 -30.12 21.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 74.230000000000004 110.886 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 4' ' ' PHE . . . . . 0.634 ' CE2' ' HB2' ' C' ' 30' ' ' ALA . 0.3 OUTLIER -161.26 115.39 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 73.340000000000003 110.913 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -133.9 108.63 8.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 73.420000000000002 110.853 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -109.34 127.76 54.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 75.209999999999994 110.846 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -131.96 101.81 5.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 71.400000000000006 110.859 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 8' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' I' ' 8' ' ' SER . 2.5 t -147.42 175.66 10.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 74.519999999999996 110.865 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.31 -10.31 54.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 44.130000000000003 112.508 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -172.22 115.15 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 63.140000000000001 110.875 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -101.85 119.05 38.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 54.530000000000001 110.895 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 0.502 HG23 HG13 ' I' ' 12' ' ' VAL . 3.9 p -137.8 117.74 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 63.009999999999998 111.088 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -116.07 114.43 24.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 71.420000000000002 110.839 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -118.01 123.0 44.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 73.329999999999998 110.921 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -131.04 133.14 45.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 74.150000000000006 110.883 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 16' ' ' LYS . . . . . 0.45 ' C ' HD22 ' H' ' 17' ' ' LEU . 8.0 tptm -126.08 121.61 33.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 72.200000000000003 110.942 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.639 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.5 mm? -122.1 106.37 11.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 74.329999999999998 110.905 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.434 ' CG1' ' HB2' ' H' ' 21' ' ' ALA . 92.1 t -111.48 114.02 45.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 71.209999999999994 111.101 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.513 ' CE1' HD12 ' H' ' 17' ' ' LEU . 5.1 m-85 -108.77 99.62 8.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 72.010000000000005 110.868 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 20' ' ' PHE . . . . . 0.596 ' CE2' HG22 ' H' ' 31' ' ' ILE . 1.0 OUTLIER 63.72 89.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 74.430000000000007 110.875 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' H' H ' 21' ' ' ALA . . . . . 0.434 ' HB2' ' CG1' ' H' ' 18' ' ' VAL . . . -115.57 130.8 57.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 72.5 111.096 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 62.07 90.45 0.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 52.039999999999999 110.846 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 24' ' ' VAL . . . . . 0.671 HG13 HG23 ' I' ' 24' ' ' VAL . 6.0 p -128.24 130.86 69.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 62.299999999999997 111.164 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.04 -52.88 49.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 62.229999999999997 112.499 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.52 130.11 6.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 65.349999999999994 110.839 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 27' ' ' ASN . . . . . 0.58 ' HB3' HD12 ' I' ' 31' ' ' ILE . 18.4 m120 -96.33 105.2 17.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 72.019999999999996 110.891 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 28' ' ' LYS . . . . . 0.726 ' O ' HD11 ' H' ' 31' ' ' ILE . 0.8 OUTLIER -114.86 137.25 52.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 70.040000000000006 110.846 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.93 -150.55 37.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 71.329999999999998 112.512 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 30' ' ' ALA . . . . . 0.704 ' O ' HD13 ' H' ' 31' ' ' ILE . . . -83.48 114.15 21.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.744 0.307 . . . . 73.219999999999999 111.069 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.726 HD11 ' O ' ' H' ' 28' ' ' LYS . 4.6 mm -126.88 117.99 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 73.109999999999999 111.113 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 32' ' ' ILE . . . . . 0.42 HG21 ' HG2' ' H' ' 35' ' ' MET . 5.0 mt -133.6 123.72 46.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 55.109999999999999 111.155 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.39 -42.7 75.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.753 . . . . 43.140000000000001 112.472 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.81 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -170.88 149.93 3.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.787 0.327 . . . . 72.420000000000002 110.923 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' H' H ' 35' ' ' MET . . . . . 0.42 ' HG2' HG21 ' H' ' 32' ' ' ILE . 49.4 mtp -126.93 123.23 36.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 74.129999999999995 110.869 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.574 HG11 HG21 ' C' ' 36' ' ' VAL . 99.0 t -128.74 112.82 27.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 74.340000000000003 111.098 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.36 19.86 48.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.683 -0.77 . . . . 61.240000000000002 112.51 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.72 -164.63 31.63 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 22.120000000000001 112.472 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.67 HG23 HG13 ' G' ' 39' ' ' VAL . 7.5 p -169.2 133.81 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.862 0.363 . . . . 70.409999999999997 111.12 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' H' H ' 40' ' ' VAL . . . . . 0.418 ' CG2' HG12 ' G' ' 40' ' ' VAL . 18.9 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 71.430000000000007 111.151 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.821 0.343 . . . . 74.129999999999995 110.855 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.68 86.73 2.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 40.310000000000002 111.134 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.1 -29.59 22.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 75.439999999999998 110.861 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 4' ' ' PHE . . . . . 0.621 ' CE2' ' HB2' ' D' ' 30' ' ' ALA . 0.3 OUTLIER -161.8 115.29 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 75.209999999999994 110.86 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -133.88 108.67 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 75.450000000000003 110.844 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -110.05 127.94 55.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 73.310000000000002 110.877 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -131.88 102.0 5.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 72.329999999999998 110.886 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 8' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' H' ' 8' ' ' SER . 2.5 t -147.68 174.49 11.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 73.140000000000001 110.871 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.87 -9.42 54.33 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.723 -0.751 . . . . 72.25 112.445 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -172.15 114.38 0.32 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.807 0.336 . . . . 75.109999999999999 110.978 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -102.36 119.54 38.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 71.319999999999993 110.875 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 12' ' ' VAL . . . . . 0.502 HG13 HG23 ' H' ' 12' ' ' VAL . 4.3 p -137.59 117.95 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 64.230000000000004 111.122 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -116.29 114.44 24.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 62.450000000000003 110.876 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -117.75 123.78 46.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 70.219999999999999 110.855 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -131.24 133.05 45.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 74.310000000000002 110.93 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 16' ' ' LYS . . . . . 0.494 ' O ' HD22 ' I' ' 17' ' ' LEU . 8.1 tptm -124.41 120.54 32.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 72.219999999999999 110.927 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.638 HD13 ' HB2' ' H' ' 17' ' ' LEU . 4.5 mm? -123.85 105.59 9.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 51.219999999999999 110.932 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 18' ' ' VAL . . . . . 0.475 ' CG1' ' HB2' ' I' ' 21' ' ' ALA . 85.4 t -111.98 114.6 47.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 55.340000000000003 111.144 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 19' ' ' PHE . . . . . 0.496 ' HE1' HD12 ' I' ' 17' ' ' LEU . 4.5 m-85 -106.54 97.98 7.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 75.450000000000003 110.832 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 20' ' ' PHE . . . . . 0.595 ' CE2' HG22 ' I' ' 31' ' ' ILE . 0.9 OUTLIER 63.76 91.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 74.329999999999998 110.902 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' I' I ' 21' ' ' ALA . . . . . 0.475 ' HB2' ' CG1' ' I' ' 18' ' ' VAL . . . -116.93 131.04 57.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 70.010000000000005 111.124 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 62.34 90.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 73.319999999999993 110.844 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.671 HG23 HG13 ' H' ' 24' ' ' VAL . 6.0 p -129.1 130.97 68.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 53.149999999999999 111.088 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.08 -53.24 46.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 64.109999999999999 112.496 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.17 130.12 6.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.816 0.341 . . . . 74.150000000000006 110.853 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 27' ' ' ASN . . . . . 0.518 ' HB3' HD12 ' J' ' 31' ' ' ILE . 18.5 m120 -95.63 105.09 17.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 72.040000000000006 110.866 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 28' ' ' LYS . . . . . 0.717 ' O ' HD11 ' I' ' 31' ' ' ILE . 0.7 OUTLIER -115.49 137.34 52.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 63.43 110.887 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.48 -150.64 36.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.717 -0.754 . . . . 73.019999999999996 112.495 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.695 ' O ' HD13 ' I' ' 31' ' ' ILE . . . -83.37 114.48 21.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.797 0.332 . . . . 64.5 111.068 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.717 HD11 ' O ' ' I' ' 28' ' ' LYS . 4.6 mm -126.72 118.83 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 72.230000000000004 111.12 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 32' ' ' ILE . . . . . 0.432 HG21 ' HG2' ' I' ' 35' ' ' MET . 4.8 mt -132.37 125.39 53.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 64.219999999999999 111.125 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.04 -42.24 92.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 60.310000000000002 112.494 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.734 HD22 ' O ' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -170.67 147.58 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.342 . . . . 72.409999999999997 110.941 -179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' I' I ' 35' ' ' MET . . . . . 0.432 ' HG2' HG21 ' I' ' 32' ' ' ILE . 50.6 mtp -125.96 122.12 35.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 74.25 110.878 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.545 HG11 HG21 ' D' ' 36' ' ' VAL . 96.8 t -129.46 111.53 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 64.219999999999999 111.163 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.02 20.32 41.42 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.781 -0.723 . . . . 71.510000000000005 112.514 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.03 -164.12 32.39 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 52.450000000000003 112.473 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 0.581 HG23 HG13 ' H' ' 39' ' ' VAL . 7.6 p -169.06 136.15 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 75.230000000000004 111.132 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' I' I ' 40' ' ' VAL . . . . . 0.4 ' HA ' HG22 ' J' ' 40' ' ' VAL . 19.1 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 73.120000000000005 111.121 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.82 0.343 . . . . 71.209999999999994 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.69 86.99 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 70.209999999999994 111.1 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -51.94 -29.96 22.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 71.299999999999997 110.889 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 4' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' E' ' 30' ' ' ALA . 0.3 OUTLIER -161.07 115.14 2.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 73.430000000000007 110.893 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -133.27 108.53 8.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 75.409999999999997 110.897 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -110.85 127.41 55.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 72.200000000000003 110.815 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -130.03 101.65 5.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 74.409999999999997 110.908 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 2.4 t -148.33 169.63 19.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 74.299999999999997 110.841 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.42 -8.75 57.29 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.759 -0.734 . . . . 75.219999999999999 112.49 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -170.79 112.0 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 74.0 110.911 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -103.17 119.86 39.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 75.120000000000005 110.872 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 0.5 HG13 HG23 ' I' ' 12' ' ' VAL . 4.6 p -136.71 119.23 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 73.040000000000006 111.105 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 63.7 m170 -116.28 113.81 23.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 75.340000000000003 110.866 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -117.06 124.93 50.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 75.450000000000003 110.856 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.08 134.51 45.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 75.010000000000005 110.887 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 16' ' ' LYS . . . . . 0.536 ' O ' HD22 ' J' ' 17' ' ' LEU . 7.8 tptm -124.47 119.84 30.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 75.25 110.939 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.557 HD12 ' HE1' ' J' ' 19' ' ' PHE . 4.3 mm? -126.09 106.77 9.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 70.420000000000002 110.895 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.537 ' CG1' ' HB2' ' J' ' 21' ' ' ALA . 91.1 t -112.42 118.11 56.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 54.229999999999997 111.148 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.557 ' HE1' HD12 ' J' ' 17' ' ' LEU . 4.1 m-85 -106.23 96.1 6.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.481 . . . . 72.25 110.886 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 20' ' ' PHE . . . . . 0.604 ' CE2' HG22 ' J' ' 31' ' ' ILE . 0.6 OUTLIER 63.06 91.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 72.439999999999998 110.891 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' J' J ' 21' ' ' ALA . . . . . 0.537 ' HB2' ' CG1' ' J' ' 18' ' ' VAL . . . -116.1 132.61 56.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 73.430000000000007 111.065 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 61.67 90.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 62.119999999999997 110.897 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.612 HG23 HG13 ' I' ' 24' ' ' VAL . 6.2 p -130.45 130.37 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 71.420000000000002 111.126 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.42 -52.31 50.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 74.329999999999998 112.459 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.49 131.29 7.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 75.430000000000007 110.906 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 27' ' ' ASN . . . . . 0.483 HD22 HG11 ' J' ' 24' ' ' VAL . 74.0 m-20 -95.92 103.21 15.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 72.530000000000001 110.898 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 28' ' ' LYS . . . . . 0.673 ' O ' HD11 ' J' ' 31' ' ' ILE . 0.8 OUTLIER -115.31 137.57 51.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 71.25 110.868 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.27 -150.34 33.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 72.239999999999995 112.489 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 0.624 ' O ' HD13 ' J' ' 31' ' ' ILE . . . -83.45 114.27 21.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.771 0.319 . . . . 34.43 111.1 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.673 HD11 ' O ' ' J' ' 28' ' ' LYS . 3.9 mm -124.25 117.32 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 73.439999999999998 111.161 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 32' ' ' ILE . . . . . 0.53 HG21 ' CG ' ' J' ' 35' ' ' MET . 5.3 mt -126.22 122.94 62.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 70.150000000000006 111.159 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.51 -38.27 93.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 70.140000000000001 112.51 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.671 HD22 ' O ' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -170.5 147.32 2.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 73.430000000000007 110.886 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' J' J ' 35' ' ' MET . . . . . 0.53 ' CG ' HG21 ' J' ' 32' ' ' ILE . 55.5 mtp -128.29 119.63 25.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 72.219999999999999 110.941 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.447 HG11 HG21 ' E' ' 36' ' ' VAL . 84.9 t -134.31 109.97 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 60.509999999999998 111.129 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 55.2 21.12 24.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 31.34 112.502 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.39 -162.15 31.57 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 71.219999999999999 112.501 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.435 HG23 HG13 ' I' ' 39' ' ' VAL . 7.4 p -169.18 137.49 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 75.450000000000003 111.114 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.4 HG22 ' HA ' ' I' ' 40' ' ' VAL . 17.2 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 65.209999999999994 111.121 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.809 0.338 . . . . 72.019999999999996 110.839 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.19 87.19 4.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 54.340000000000003 111.068 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -57.73 -24.32 56.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 73.329999999999998 110.894 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' F' ' 30' ' ' ALA . 0.3 OUTLIER -167.22 114.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 71.140000000000001 110.829 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -130.15 109.5 10.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 74.540000000000006 110.899 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -109.23 121.48 45.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 62.25 110.866 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -127.99 102.09 6.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 44.219999999999999 110.905 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -148.77 176.05 10.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 71.040000000000006 110.857 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.32 -10.43 38.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 70.150000000000006 112.515 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.39 114.6 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.349 . . . . 55.210000000000001 110.93 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -103.19 120.48 40.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 55.409999999999997 110.887 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 50.5 t -132.16 113.93 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 72.120000000000005 111.143 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -114.01 124.49 52.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 72.329999999999998 110.889 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -133.54 115.42 14.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 72.530000000000001 110.84 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -121.2 136.82 54.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 71.019999999999996 110.895 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -131.54 115.36 16.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 71.299999999999997 110.847 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.518 HD12 ' CE1' ' A' ' 19' ' ' PHE . 3.6 mm? -119.29 110.63 17.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 70.310000000000002 110.92 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.743 HG12 ' CG2' ' B' ' 18' ' ' VAL . 27.2 m -116.82 118.97 60.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 51.340000000000003 111.115 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.518 ' CE1' HD12 ' A' ' 17' ' ' LEU . 13.5 m-85 -106.31 106.9 17.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 70.099999999999994 110.909 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 58.99 65.6 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 75.420000000000002 110.914 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.53 138.02 32.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 41.409999999999997 111.091 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.67 77.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 75.099999999999994 110.874 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.607 ' CG1' HG23 ' B' ' 24' ' ' VAL . 7.6 p -112.55 139.43 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 72.540000000000006 111.117 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.29 -47.49 51.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 70.129999999999995 112.483 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.0 m -161.1 124.88 3.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.934 0.397 . . . . 74.340000000000003 110.824 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.564 ' CG ' HG21 ' A' ' 31' ' ' ILE . 23.6 m-20 -108.5 102.44 11.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 75.129999999999995 110.858 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.56 162.27 16.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 72.109999999999999 110.872 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.12 -135.5 50.25 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 25.109999999999999 112.487 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.576 ' HB2' ' CE2' ' F' ' 4' ' ' PHE . . . -83.14 113.64 20.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.722 0.296 . . . . 22.32 111.118 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.737 HG22 ' CZ ' ' B' ' 20' ' ' PHE . 2.0 mp -123.49 109.31 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 65.329999999999998 111.113 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.0 mt -137.64 116.17 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 72.040000000000006 111.114 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.18 -48.73 32.05 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.691 -0.766 . . . . 53.039999999999999 112.532 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.672 HD22 ' C ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -173.19 149.05 1.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 73.310000000000002 110.958 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.3 mtp -123.96 123.17 39.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 71.430000000000007 110.897 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.498 HG21 HG11 ' F' ' 36' ' ' VAL . 60.2 t -111.63 114.58 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 63.299999999999997 111.116 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.95 23.62 46.75 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 74.140000000000001 112.467 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.32 -169.29 25.83 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.7 -0.762 . . . . 71.409999999999997 112.436 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.493 ' O ' HG23 ' B' ' 39' ' ' VAL . 4.3 p -168.53 121.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 74.510000000000005 111.142 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.728 ' HA ' HG22 ' B' ' 40' ' ' VAL . 18.6 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 63.210000000000001 111.157 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.768 0.318 . . . . 74.409999999999997 110.861 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.7 87.05 4.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 44.539999999999999 111.095 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -57.05 -23.53 47.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 71.349999999999994 110.869 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' G' ' 30' ' ' ALA . 0.3 OUTLIER -167.56 114.56 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 75.409999999999997 110.868 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -129.24 108.96 10.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 73.099999999999994 110.81 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 6' ' ' HIS . . . . . 0.415 ' CE1' ' HG3' ' B' ' 11' ' ' GLU . 22.9 t-80 -107.48 121.54 44.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 73.510000000000005 110.804 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -127.88 101.21 6.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 62.439999999999998 110.905 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -148.41 175.56 11.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 74.219999999999999 110.883 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.52 -10.24 38.88 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.777 -0.725 . . . . 45.210000000000001 112.486 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.29 114.21 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 72.129999999999995 110.913 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 11' ' ' GLU . . . . . 0.415 ' HG3' ' CE1' ' B' ' 6' ' ' HIS . 3.5 tt0 -102.61 120.11 39.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 72.109999999999999 110.863 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.5 t -131.57 114.01 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 62.310000000000002 111.114 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 60.1 m170 -114.91 123.6 49.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 62.329999999999998 110.861 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -133.43 116.75 16.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.169 -0.469 . . . . 74.349999999999994 110.834 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -122.82 135.88 54.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 63.039999999999999 110.923 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.433 ' O ' HD22 ' B' ' 17' ' ' LEU . 0.8 OUTLIER -127.78 116.27 19.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 72.25 110.891 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.482 HD12 ' HE1' ' B' ' 19' ' ' PHE . 3.9 mm? -121.21 110.3 16.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 73.349999999999994 110.903 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.743 ' CG2' HG12 ' A' ' 18' ' ' VAL . 27.1 m -118.52 119.45 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 72.019999999999996 111.099 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.482 ' HE1' HD12 ' B' ' 17' ' ' LEU . 6.9 m-85 -106.63 110.19 22.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 71.430000000000007 110.854 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.737 ' CZ ' HG22 ' A' ' 31' ' ' ILE . 4.6 m-30 59.58 63.6 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 70.329999999999998 110.927 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.61 137.74 32.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 62.210000000000001 111.05 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.13 77.28 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 75.230000000000004 110.86 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.607 HG23 ' CG1' ' A' ' 24' ' ' VAL . 6.3 p -113.23 137.57 45.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 70.519999999999996 111.098 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.51 -46.81 53.84 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.7 -0.762 . . . . 75.299999999999997 112.507 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 11.7 m -161.2 125.44 3.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.875 0.369 . . . . 34.240000000000002 110.862 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.537 ' CG ' HG21 ' B' ' 31' ' ' ILE . 23.4 m-20 -107.47 102.25 11.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 61.399999999999999 110.842 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.0 162.09 17.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 65.239999999999995 110.864 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.5 -134.69 49.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.69 -0.767 . . . . 61.219999999999999 112.511 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.576 ' HB2' ' CE2' ' G' ' 4' ' ' PHE . . . -83.47 113.69 20.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 73.209999999999994 111.102 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.742 HG22 ' CZ ' ' C' ' 20' ' ' PHE . 2.0 mp -123.54 109.43 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 71.319999999999993 111.137 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 16.8 mt -135.46 119.22 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 72.409999999999997 111.105 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.43 ' HA3' ' HB3' ' B' ' 19' ' ' PHE . . . -50.49 -47.86 43.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 64.099999999999994 112.486 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.704 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -171.33 151.46 3.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.85 0.357 . . . . 72.400000000000006 110.915 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.3 ttp -123.16 123.74 41.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 74.519999999999996 110.892 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.499 HG23 HD23 ' B' ' 34' ' ' LEU . 78.4 t -119.96 111.07 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 72.319999999999993 111.099 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.88 24.45 49.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.732 . . . . 73.299999999999997 112.486 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.48 -169.3 24.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 74.150000000000006 112.511 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.5 ' O ' HG23 ' C' ' 39' ' ' VAL . 3.3 p -167.93 120.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 75.200000000000003 111.169 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.728 HG22 ' HA ' ' A' ' 40' ' ' VAL . 17.6 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 72.209999999999994 111.148 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.833 0.349 . . . . 73.230000000000004 110.85 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.06 86.92 4.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 41.240000000000002 111.115 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -57.26 -23.6 49.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 75.019999999999996 110.897 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 4' ' ' PHE . . . . . 0.538 ' CE2' ' HB2' ' H' ' 30' ' ' ALA . 0.3 OUTLIER -167.94 114.77 0.71 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 75.239999999999995 110.897 -179.897 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -129.25 108.97 10.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 74.329999999999998 110.882 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -107.74 120.91 43.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 74.530000000000001 110.831 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -127.3 101.39 6.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 54.530000000000001 110.846 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -148.46 175.54 11.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 53.439999999999998 110.849 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.75 -10.07 38.68 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 61.310000000000002 112.443 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.26 114.29 0.31 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.856 0.36 . . . . 63.310000000000002 110.934 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -102.51 120.1 39.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 65.439999999999998 110.91 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 48.5 t -131.64 114.28 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 74.0 111.165 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -115.32 123.41 48.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 44.350000000000001 110.869 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -133.01 117.4 17.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 54.32 110.888 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -123.58 135.71 54.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 74.209999999999994 110.913 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.506 ' O ' HD22 ' C' ' 17' ' ' LEU . 0.8 OUTLIER -125.94 116.91 22.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 74.299999999999997 110.89 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.506 HD22 ' O ' ' C' ' 16' ' ' LYS . 4.0 mm? -123.47 109.63 14.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 72.120000000000005 110.891 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.727 ' CG2' HG12 ' B' ' 18' ' ' VAL . 27.8 m -119.14 119.55 61.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 73.099999999999994 111.14 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.504 ' HE1' HD12 ' C' ' 17' ' ' LEU . 4.7 m-85 -106.22 109.85 21.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 75.140000000000001 110.856 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.742 ' CZ ' HG22 ' B' ' 31' ' ' ILE . 4.5 m-30 59.65 63.59 1.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 72.140000000000001 110.886 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.73 136.99 33.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 63.219999999999999 111.095 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.01 77.46 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 65.409999999999997 110.851 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.577 ' CG1' HG23 ' D' ' 24' ' ' VAL . 6.9 p -113.09 137.43 46.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 73.299999999999997 111.152 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.53 -46.8 53.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.774 -0.727 . . . . 71.319999999999993 112.441 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 12.0 m -160.69 125.67 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 74.200000000000003 110.838 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.475 ' ND2' HG21 ' C' ' 31' ' ' ILE . 21.0 m-20 -107.43 101.69 11.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 64.219999999999999 110.938 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.53 161.93 17.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 73.209999999999994 110.9 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.27 -134.54 48.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.729 . . . . 42.409999999999997 112.515 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.555 ' HB2' ' CE2' ' H' ' 4' ' ' PHE . . . -83.34 113.89 21.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.799 0.333 . . . . 72.420000000000002 111.073 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.75 HG22 ' CZ ' ' D' ' 20' ' ' PHE . 2.0 mp -123.24 109.36 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 73.409999999999997 111.173 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 13.7 mt -134.12 119.55 31.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 53.409999999999997 111.11 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.84 -46.29 54.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 61.310000000000002 112.481 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.766 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -170.95 151.05 3.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.812 0.339 . . . . 75.200000000000003 110.951 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 1.4 mtp -122.3 122.43 39.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.299999999999997 110.845 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.509 HG23 HD23 ' C' ' 34' ' ' LEU . 84.9 t -120.66 110.97 30.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 74.099999999999994 111.135 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.69 25.54 29.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 32.340000000000003 112.487 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.93 -169.38 25.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 63.299999999999997 112.477 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.517 ' O ' HG23 ' D' ' 39' ' ' VAL . 3.6 p -167.64 120.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.861 0.362 . . . . 72.319999999999993 111.105 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.709 HG22 ' HA ' ' B' ' 40' ' ' VAL . 18.1 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 64.510000000000005 111.127 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.854 0.359 . . . . 62.520000000000003 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.93 86.62 4.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 62.420000000000002 111.073 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -57.34 -23.95 52.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 72.109999999999999 110.93 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 4' ' ' PHE . . . . . 0.524 ' CE2' ' HB2' ' I' ' 30' ' ' ALA . 0.3 OUTLIER -168.0 114.96 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 75.430000000000007 110.905 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -128.86 108.83 10.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 72.219999999999999 110.869 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 6' ' ' HIS . . . . . 0.422 ' CE1' ' HG3' ' D' ' 11' ' ' GLU . 23.5 t-80 -107.34 120.5 42.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 71.239999999999995 110.845 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -126.99 101.31 6.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 44.210000000000001 110.827 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -148.61 174.62 11.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 63.409999999999997 110.855 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.69 -9.64 39.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 74.129999999999995 112.47 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.16 113.75 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 75.25 110.95 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 11' ' ' GLU . . . . . 0.422 ' HG3' ' CE1' ' D' ' 6' ' ' HIS . 3.6 tt0 -102.33 120.24 40.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 65.310000000000002 110.865 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -131.71 114.39 24.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 71.140000000000001 111.119 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 57.4 m170 -115.17 123.47 48.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 73.109999999999999 110.9 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -133.24 117.37 17.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 75.150000000000006 110.851 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -123.83 135.95 54.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 71.109999999999999 110.875 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 16' ' ' LYS . . . . . 0.59 ' O ' HD22 ' D' ' 17' ' ' LEU . 0.8 OUTLIER -124.46 116.98 23.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 52.539999999999999 110.912 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.59 HD22 ' O ' ' D' ' 16' ' ' LYS . 4.2 mm? -125.66 109.0 12.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 71.040000000000006 110.949 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.713 HG12 ' CG2' ' E' ' 18' ' ' VAL . 29.0 m -119.4 119.99 62.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.230000000000004 111.155 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.466 ' HE1' HD12 ' D' ' 17' ' ' LEU . 2.8 m-85 -105.8 109.13 20.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 71.400000000000006 110.849 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.75 ' CZ ' HG22 ' C' ' 31' ' ' ILE . 4.6 m-30 59.86 63.5 1.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 72.450000000000003 110.89 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.85 136.99 34.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 45.420000000000002 111.087 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.78 77.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 75.510000000000005 110.86 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.577 HG23 ' CG1' ' C' ' 24' ' ' VAL . 7.1 p -113.01 137.56 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 64.530000000000001 111.144 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.53 -46.41 55.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 75.25 112.484 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 12.3 m -160.31 126.06 4.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 73.109999999999999 110.867 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -107.02 100.85 10.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 75.230000000000004 110.905 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.43 162.03 18.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 71.310000000000002 110.887 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.58 -134.11 47.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.742 . . . . 72.019999999999996 112.484 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.531 ' HB2' ' CE2' ' I' ' 4' ' ' PHE . . . -83.3 113.55 20.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.765 0.317 . . . . 71.400000000000006 111.136 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.739 HG22 ' CZ ' ' E' ' 20' ' ' PHE . 2.1 mp -122.1 109.35 24.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 74.540000000000006 111.106 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 12.6 mt -133.2 119.91 37.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 64.030000000000001 111.169 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.32 -47.0 70.34 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 54.340000000000003 112.469 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.754 HD22 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -168.38 148.99 4.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 64.530000000000001 110.91 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 1.4 mtp -122.47 120.62 34.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 61.5 110.907 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.535 HG23 HD23 ' D' ' 34' ' ' LEU . 75.4 t -120.7 110.79 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 74.420000000000002 111.124 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.61 25.95 22.76 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.718 -0.753 . . . . 64.329999999999998 112.488 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.12 -169.3 26.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 45.219999999999999 112.484 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.544 ' O ' HG23 ' E' ' 39' ' ' VAL . 4.1 p -167.43 120.84 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 65.310000000000002 111.142 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.675 HG22 ' HA ' ' C' ' 40' ' ' VAL . 18.5 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 63.130000000000003 111.126 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.86 0.362 . . . . 60.520000000000003 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.17 87.09 5.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 62.399999999999999 111.119 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -57.26 -24.44 54.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 64.209999999999994 110.879 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 4' ' ' PHE . . . . . 0.446 ' CE2' ' HB2' ' J' ' 30' ' ' ALA . 0.3 OUTLIER -167.33 115.37 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 72.129999999999995 110.862 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -128.01 108.9 11.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 62.439999999999998 110.864 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -107.49 120.54 42.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 74.439999999999998 110.828 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -126.28 101.01 6.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 73.340000000000003 110.886 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 2.9 m -149.31 171.34 16.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 64.530000000000001 110.828 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.54 -8.84 45.37 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.751 . . . . 62.109999999999999 112.482 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -170.91 112.11 0.38 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.868 0.365 . . . . 72.340000000000003 110.932 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -102.58 120.23 40.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 75.5 110.861 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -131.71 115.16 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 62.130000000000003 111.147 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -115.19 122.44 46.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 72.019999999999996 110.852 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -132.31 117.81 18.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 72.040000000000006 110.851 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -124.52 137.34 54.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 74.409999999999997 110.935 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 16' ' ' LYS . . . . . 0.602 ' O ' HD22 ' E' ' 17' ' ' LEU . 0.8 OUTLIER -124.31 115.66 21.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 74.340000000000003 110.894 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.602 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.4 mm? -126.48 105.38 8.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 73.310000000000002 110.875 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.713 ' CG2' HG12 ' D' ' 18' ' ' VAL . 29.5 m -115.85 122.54 69.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 74.340000000000003 111.104 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -106.92 108.35 19.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 75.310000000000002 110.855 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.739 ' CZ ' HG22 ' D' ' 31' ' ' ILE . 4.6 m-30 60.25 64.06 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 74.319999999999993 110.854 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.69 137.05 35.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 60.210000000000001 111.064 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.78 77.72 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 65.510000000000005 110.845 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.536 HG23 ' CG1' ' D' ' 24' ' ' VAL . 6.7 p -113.69 137.02 48.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 50.240000000000002 111.11 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.44 -46.15 50.19 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.72 . . . . 33.119999999999997 112.485 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 11.6 m -160.6 125.12 3.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.358 . . . . 71.109999999999999 110.895 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -106.35 99.82 9.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 73.129999999999995 110.907 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.7 163.16 16.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 64.230000000000004 110.885 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.27 -133.84 42.49 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.733 . . . . 74.329999999999998 112.5 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.412 ' HB2' ' CZ ' ' J' ' 4' ' ' PHE . . . -83.16 113.36 20.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.781 0.324 . . . . 75.209999999999994 111.103 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.433 HG23 ' HE2' ' E' ' 20' ' ' PHE . 2.2 mp -119.7 111.73 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 72.140000000000001 111.153 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 mt -131.1 114.63 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 73.25 111.153 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.39 -42.78 84.24 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 62.009999999999998 112.461 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.663 HD22 ' O ' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -168.89 147.05 3.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.807 0.337 . . . . 74.310000000000002 110.926 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mtp -124.4 120.41 32.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 74.329999999999998 110.896 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.439 HG23 HD23 ' E' ' 34' ' ' LEU . 89.0 t -127.44 109.91 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 75.140000000000001 111.097 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.4 25.51 19.98 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 55.439999999999998 112.457 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.02 -168.77 25.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.728 . . . . 72.430000000000007 112.459 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.544 HG23 ' O ' ' D' ' 39' ' ' VAL . 4.4 p -167.68 122.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.352 . . . . 73.430000000000007 111.146 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.553 HG22 ' HA ' ' D' ' 40' ' ' VAL . 18.1 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 75.299999999999997 111.119 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.835 0.35 . . . . 61.210000000000001 110.874 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.45 87.02 5.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 52.109999999999999 111.065 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -57.26 -24.41 54.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 74.049999999999997 110.876 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 4' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -167.29 115.06 0.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 60.210000000000001 110.836 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -128.93 109.19 11.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 75.409999999999997 110.89 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -108.74 120.99 44.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 63.25 110.863 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -127.7 102.23 6.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 73.129999999999995 110.895 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -148.93 176.02 10.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 53.219999999999999 110.833 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.47 -10.39 38.64 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.715 -0.755 . . . . 70.140000000000001 112.493 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.38 114.69 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 71.140000000000001 110.945 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -103.08 120.62 41.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 72.129999999999995 110.888 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 51.0 t -132.16 114.04 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 73.030000000000001 111.085 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -114.33 124.5 52.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 75.430000000000007 110.901 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -133.69 115.69 14.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 52.229999999999997 110.842 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -121.26 136.73 54.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 75.209999999999994 110.92 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -131.44 115.56 16.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 74.349999999999994 110.911 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.522 HD12 ' CE1' ' F' ' 19' ' ' PHE . 3.5 mm? -119.63 110.4 16.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 63.329999999999998 110.908 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.737 HG12 ' CG2' ' G' ' 18' ' ' VAL . 27.0 m -116.57 119.2 61.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 72.430000000000007 111.157 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.522 ' CE1' HD12 ' F' ' 17' ' ' LEU . 13.8 m-85 -106.02 107.09 17.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 75.019999999999996 110.859 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 58.97 65.51 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 72.439999999999998 110.914 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.28 137.85 32.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 50.020000000000003 111.118 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 57.01 77.51 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 74.420000000000002 110.877 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.603 ' CG1' HG23 ' G' ' 24' ' ' VAL . 7.7 p -112.33 139.11 38.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 61.310000000000002 111.187 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.75 -47.48 55.48 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.797 -0.716 . . . . 60.020000000000003 112.474 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 12.1 m -160.83 124.54 3.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 75.120000000000005 110.912 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 27' ' ' ASN . . . . . 0.601 ' CG ' HG21 ' F' ' 31' ' ' ILE . 18.1 m-20 -106.7 101.61 11.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 63.219999999999999 110.935 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.65 161.85 17.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 73.430000000000007 110.897 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.16 -137.18 49.33 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.777 -0.725 . . . . 74.319999999999993 112.513 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.561 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . . . -83.0 113.27 20.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 74.239999999999995 111.126 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.73 HG22 ' CZ ' ' G' ' 20' ' ' PHE . 1.9 mp -122.44 110.83 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 64.340000000000003 111.142 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 18.4 mt -137.86 115.92 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 65.230000000000004 111.177 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.19 -48.74 32.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 42.109999999999999 112.47 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.67 ' C ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -172.91 148.81 1.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.789 0.328 . . . . 70.120000000000005 110.901 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 1.3 mtp -123.63 123.25 40.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 65.25 110.868 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.498 HG11 HG21 ' A' ' 36' ' ' VAL . 58.0 t -112.6 115.33 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 73.040000000000006 111.126 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.1 22.63 43.64 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.74 . . . . 71.150000000000006 112.46 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.96 -169.67 25.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 52.420000000000002 112.497 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.517 ' O ' HG23 ' G' ' 39' ' ' VAL . 4.3 p -169.08 121.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 62.340000000000003 111.134 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.723 ' HA ' HG22 ' G' ' 40' ' ' VAL . 18.1 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 62.299999999999997 111.149 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.859 0.362 . . . . 71.209999999999994 110.912 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.04 87.2 5.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 52.43 111.107 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -56.77 -23.88 46.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 62.210000000000001 110.901 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 4' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' B' ' 30' ' ' ALA . 0.3 OUTLIER -167.43 114.99 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 65.439999999999998 110.877 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -128.45 108.91 10.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 74.530000000000001 110.879 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 6' ' ' HIS . . . . . 0.417 ' CE1' ' HG3' ' G' ' 11' ' ' GLU . 23.8 t-80 -107.52 120.76 43.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 71.450000000000003 110.868 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -127.08 101.48 6.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 73.420000000000002 110.854 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -148.36 175.42 11.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 60.340000000000003 110.886 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.63 -9.99 39.24 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.741 -0.742 . . . . 73.019999999999996 112.47 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.45 114.14 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.356 . . . . 73.510000000000005 110.951 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 11' ' ' GLU . . . . . 0.417 ' HG3' ' CE1' ' G' ' 6' ' ' HIS . 3.4 tt0 -102.21 120.04 39.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 62.140000000000001 110.881 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -131.46 114.04 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 74.319999999999993 111.102 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -115.27 123.61 49.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 71.25 110.898 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -133.38 116.67 16.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 70.219999999999999 110.825 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -122.37 135.49 54.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 73.310000000000002 110.889 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 16' ' ' LYS . . . . . 0.44 ' O ' HD22 ' G' ' 17' ' ' LEU . 0.8 OUTLIER -127.7 116.11 19.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 72.319999999999993 110.93 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.494 HD12 ' HE1' ' G' ' 19' ' ' PHE . 3.9 mm? -121.37 110.61 16.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 70.099999999999994 110.94 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.737 ' CG2' HG12 ' F' ' 18' ' ' VAL . 27.0 m -118.74 119.17 60.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 74.409999999999997 111.113 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.494 ' HE1' HD12 ' G' ' 17' ' ' LEU . 6.9 m-85 -105.9 110.0 22.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 74.340000000000003 110.913 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 0.73 ' CZ ' HG22 ' F' ' 31' ' ' ILE . 4.6 m-30 59.47 63.58 1.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 64.340000000000003 110.85 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.4 137.84 32.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 71.230000000000004 111.109 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.38 77.69 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 75.329999999999998 110.868 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.603 HG23 ' CG1' ' F' ' 24' ' ' VAL . 6.9 p -113.54 137.54 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 61.109999999999999 111.138 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.62 -46.76 53.19 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 64.040000000000006 112.512 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 11.6 m -160.82 124.84 3.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 72.329999999999998 110.848 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 27' ' ' ASN . . . . . 0.521 ' CG ' HG21 ' G' ' 31' ' ' ILE . 21.7 m-20 -106.5 101.31 10.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 75.310000000000002 110.91 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.78 161.94 17.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.439999999999998 110.905 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.86 -136.18 48.87 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 62.240000000000002 112.494 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.56 ' HB2' ' CE2' ' B' ' 4' ' ' PHE . . . -83.17 113.89 20.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.752 0.31 . . . . 64.510000000000005 111.079 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.735 HG22 ' CZ ' ' H' ' 20' ' ' PHE . 2.0 mp -123.23 111.33 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 75.310000000000002 111.164 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 18.2 mt -136.27 118.63 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 72.010000000000005 111.156 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 33' ' ' GLY . . . . . 0.403 ' HA3' ' HB3' ' G' ' 19' ' ' PHE . . . -50.16 -48.15 40.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 64.109999999999999 112.521 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.706 HD22 ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -171.07 151.13 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 62.219999999999999 110.91 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 1.3 mtp -122.65 123.43 41.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 75.510000000000005 110.898 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.504 HG23 HD23 ' G' ' 34' ' ' LEU . 65.4 t -120.19 111.03 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 73.219999999999999 111.172 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.22 23.52 47.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 75.420000000000002 112.486 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.16 -169.77 25.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.758 . . . . 72.329999999999998 112.503 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.525 ' O ' HG23 ' H' ' 39' ' ' VAL . 3.3 p -168.27 120.82 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.909 0.385 . . . . 64.329999999999998 111.137 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.733 ' HA ' HG22 ' H' ' 40' ' ' VAL . 17.6 m . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 50.229999999999997 111.114 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.772 0.32 . . . . 70.299999999999997 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.19 87.22 5.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 54.409999999999997 111.095 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -57.1 -24.09 51.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 73.299999999999997 110.896 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 4' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' C' ' 30' ' ' ALA . 0.3 OUTLIER -167.64 115.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 73.549999999999997 110.903 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -128.66 109.03 10.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 64.420000000000002 110.909 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -107.53 120.22 41.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 65.319999999999993 110.855 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -126.74 101.28 6.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 74.230000000000004 110.887 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -148.29 175.22 11.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 72.019999999999996 110.834 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.48 -10.14 39.25 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 60.43 112.492 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.32 114.2 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 73.140000000000001 110.919 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -102.04 120.07 39.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 74.430000000000007 110.863 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 48.5 t -131.48 114.27 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 45.119999999999997 111.093 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 61.5 m170 -115.5 123.6 48.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 64.010000000000005 110.838 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -133.25 117.06 16.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 70.340000000000003 110.88 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -123.0 135.13 54.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 73.25 110.925 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 16' ' ' LYS . . . . . 0.501 ' O ' HD22 ' H' ' 17' ' ' LEU . 0.8 OUTLIER -125.78 116.42 21.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 63.409999999999997 110.924 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.503 HD12 ' HE1' ' H' ' 19' ' ' PHE . 4.0 mm? -123.18 109.92 14.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 73.239999999999995 110.934 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.727 ' CG2' HG12 ' G' ' 18' ' ' VAL . 27.3 m -119.31 120.09 62.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 54.219999999999999 111.124 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.503 ' HE1' HD12 ' H' ' 17' ' ' LEU . 4.6 m-85 -106.48 109.73 21.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 74.010000000000005 110.881 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 20' ' ' PHE . . . . . 0.735 ' CZ ' HG22 ' G' ' 31' ' ' ILE . 4.5 m-30 59.52 63.4 1.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 71.299999999999997 110.862 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.07 137.23 33.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 54.030000000000001 111.083 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.33 77.23 0.26 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 63.340000000000003 110.84 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 24' ' ' VAL . . . . . 0.587 HG23 ' CG1' ' G' ' 24' ' ' VAL . 6.8 p -113.29 137.95 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 65.109999999999999 111.144 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.81 -46.83 51.31 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.745 -0.741 . . . . 63.219999999999999 112.49 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 11.9 m -160.41 125.39 3.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 65.319999999999993 110.914 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 27' ' ' ASN . . . . . 0.448 ' ND2' HG21 ' H' ' 31' ' ' ILE . 22.3 m-20 -107.04 100.75 10.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 62.219999999999999 110.867 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.93 161.76 17.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 41.009999999999998 110.923 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.89 -136.18 46.36 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 71.530000000000001 112.47 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 30' ' ' ALA . . . . . 0.538 ' HB2' ' CE2' ' C' ' 4' ' ' PHE . . . -82.88 113.77 20.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.723 0.297 . . . . 71.010000000000005 111.077 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.744 HG22 ' CZ ' ' I' ' 20' ' ' PHE . 2.0 mp -122.34 110.5 27.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 71.209999999999994 111.151 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 14.1 mt -134.14 118.88 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 63.43 111.137 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.1 -46.66 56.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 31.23 112.499 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.777 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -170.26 150.48 3.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.844 0.354 . . . . 71.439999999999998 110.904 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 1.4 mtp -121.84 122.14 38.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 74.209999999999994 110.898 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.52 HG23 HD23 ' H' ' 34' ' ' LEU . 69.1 t -121.27 111.15 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 62.340000000000003 111.105 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 54.29 24.75 30.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 52.030000000000001 112.517 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.73 -169.63 25.44 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.737 -0.744 . . . . 64.329999999999998 112.476 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.525 HG23 ' O ' ' G' ' 39' ' ' VAL . 3.4 p -168.32 120.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 72.299999999999997 111.121 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' H' H ' 40' ' ' VAL . . . . . 0.734 ' HA ' HG22 ' I' ' 40' ' ' VAL . 18.0 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 54.530000000000001 111.128 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.843 0.354 . . . . 62.43 110.914 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.82 86.5 5.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 65.109999999999999 111.081 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -56.76 -24.22 48.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 75.530000000000001 110.912 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 4' ' ' PHE . . . . . 0.531 ' CE2' ' HB2' ' D' ' 30' ' ' ALA . 0.3 OUTLIER -167.92 115.38 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 74.540000000000006 110.865 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -128.6 109.09 11.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 74.230000000000004 110.905 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 6' ' ' HIS . . . . . 0.421 ' CE1' ' HG3' ' I' ' 11' ' ' GLU . 23.1 t-80 -107.18 120.11 41.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 63.130000000000003 110.877 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -126.86 101.36 6.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 64.140000000000001 110.875 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -148.5 174.82 11.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 73.420000000000002 110.843 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.72 -9.72 39.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.731 . . . . 73.430000000000007 112.497 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.16 113.94 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.917 0.389 . . . . 74.510000000000005 110.902 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 11' ' ' GLU . . . . . 0.421 ' HG3' ' CE1' ' I' ' 6' ' ' HIS . 3.6 tt0 -101.86 120.31 40.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.109 -0.496 . . . . 74.099999999999994 110.841 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -131.54 114.29 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 54.229999999999997 111.134 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -115.44 123.56 48.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 75.230000000000004 110.847 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -133.38 117.19 16.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 74.340000000000003 110.833 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -123.76 135.06 53.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 65.420000000000002 110.915 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 16' ' ' LYS . . . . . 0.565 ' O ' HD22 ' I' ' 17' ' ' LEU . 0.8 OUTLIER -124.44 116.73 23.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 73.040000000000006 110.926 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.565 HD22 ' O ' ' I' ' 16' ' ' LYS . 4.2 mm? -125.09 108.98 12.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 62.450000000000003 110.93 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 18' ' ' VAL . . . . . 0.704 HG12 ' CG2' ' J' ' 18' ' ' VAL . 27.8 m -119.01 120.21 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 73.200000000000003 111.116 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 19' ' ' PHE . . . . . 0.484 ' HE1' HD12 ' I' ' 17' ' ' LEU . 2.8 m-85 -106.09 109.1 20.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 73.209999999999994 110.867 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 20' ' ' PHE . . . . . 0.744 ' CZ ' HG22 ' H' ' 31' ' ' ILE . 4.5 m-30 59.79 64.1 1.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 72.049999999999997 110.889 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.61 137.02 35.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 65.420000000000002 111.075 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.15 77.46 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 60.340000000000003 110.854 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.613 ' CG1' HG23 ' J' ' 24' ' ' VAL . 7.2 p -113.4 137.52 46.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 75.310000000000002 111.099 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.55 -46.3 55.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 43.329999999999998 112.451 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 12.0 m -160.47 125.32 3.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.892 0.377 . . . . 64.340000000000003 110.865 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 27' ' ' ASN . . . . . 0.436 ' OD1' HG21 ' I' ' 24' ' ' VAL . 20.8 m-20 -106.44 99.82 9.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 62.520000000000003 110.874 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.57 161.67 18.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 73.019999999999996 110.864 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.45 -135.47 44.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.74 . . . . 63.0 112.485 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.524 ' HB2' ' CE2' ' D' ' 4' ' ' PHE . . . -82.72 113.78 20.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.724 0.297 . . . . 72.230000000000004 111.141 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.726 HG22 ' CZ ' ' J' ' 20' ' ' PHE . 2.1 mp -121.9 110.38 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 65.209999999999994 111.16 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 13.6 mt -133.11 119.0 34.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 62.130000000000003 111.171 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.04 -46.87 68.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.761 . . . . 73.439999999999998 112.526 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.751 HD22 ' O ' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -168.56 149.14 4.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.746 0.308 . . . . 62.210000000000001 110.959 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 1.5 mtp -122.33 120.51 34.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 73.140000000000001 110.879 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.527 HG23 HD23 ' I' ' 34' ' ' LEU . 74.2 t -121.26 110.71 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 73.340000000000003 111.101 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.16 25.67 25.99 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.748 -0.739 . . . . 72.329999999999998 112.539 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.01 -169.27 26.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.786 -0.721 . . . . 75.400000000000006 112.482 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 0.548 ' O ' HG23 ' J' ' 39' ' ' VAL . 3.7 p -168.07 120.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.356 . . . . 72.230000000000004 111.182 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' I' I ' 40' ' ' VAL . . . . . 0.734 HG22 ' HA ' ' H' ' 40' ' ' VAL . 18.6 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 75.549999999999997 111.115 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.842 0.354 . . . . 65.430000000000007 110.928 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.88 87.37 5.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 55.039999999999999 111.111 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -56.47 -25.01 49.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 75.140000000000001 110.864 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 4' ' ' PHE . . . . . 0.412 ' CZ ' ' HB2' ' E' ' 30' ' ' ALA . 0.3 OUTLIER -167.66 115.44 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 74.450000000000003 110.916 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -127.77 109.03 11.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 75.530000000000001 110.905 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -107.4 119.97 40.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 63.219999999999999 110.845 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -126.21 101.17 6.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 71.049999999999997 110.849 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 2.9 m -149.27 171.58 16.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 71.219999999999999 110.876 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.6 -8.96 44.94 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.75 . . . . 41.420000000000002 112.445 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -170.98 112.58 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 74.209999999999994 110.884 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -101.99 120.28 40.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 72.530000000000001 110.864 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -131.23 114.97 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 52.009999999999998 111.138 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -115.48 122.68 46.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 72.200000000000003 110.891 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -132.24 117.42 18.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 74.400000000000006 110.839 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -124.07 136.04 53.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 72.349999999999994 110.928 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 16' ' ' LYS . . . . . 0.596 ' O ' HD22 ' J' ' 17' ' ' LEU . 0.8 OUTLIER -124.65 115.54 20.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 71.099999999999994 110.886 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.596 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.3 mm? -126.44 105.96 9.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 72.430000000000007 110.861 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.704 ' CG2' HG12 ' I' ' 18' ' ' VAL . 30.6 m -115.9 122.44 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 73.349999999999994 111.186 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -107.1 108.29 19.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 65.109999999999999 110.887 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 20' ' ' PHE . . . . . 0.726 ' CZ ' HG22 ' I' ' 31' ' ' ILE . 4.5 m-30 60.02 64.23 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 75.430000000000007 110.888 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.5 137.05 36.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 62.43 111.083 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.91 77.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 71.25 110.867 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.613 HG23 ' CG1' ' I' ' 24' ' ' VAL . 7.0 p -114.28 137.58 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 63.32 111.088 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.68 -46.63 53.26 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.737 -0.744 . . . . 55.030000000000001 112.479 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 11.5 m -161.02 124.76 3.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.888 0.375 . . . . 44.109999999999999 110.839 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -105.79 99.28 8.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 75.409999999999997 110.912 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.72 162.26 17.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 71.439999999999998 110.917 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.08 -134.99 40.08 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.788 -0.72 . . . . 60.350000000000001 112.516 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 0.446 ' HB2' ' CE2' ' E' ' 4' ' ' PHE . . . -82.4 113.45 20.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 63.409999999999997 111.102 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.451 HG23 ' HE2' ' J' ' 20' ' ' PHE . 2.2 mp -119.92 112.14 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 62.32 111.126 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 11.6 mt -130.25 114.28 28.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 54.009999999999998 111.14 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.9 -43.14 81.77 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.717 -0.754 . . . . 45.350000000000001 112.53 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.66 HD22 ' O ' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -168.73 146.81 4.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.82 0.343 . . . . 74.519999999999996 110.919 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mtp -123.54 120.05 31.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 74.200000000000003 110.916 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.456 HG23 HD23 ' J' ' 34' ' ' LEU . 82.0 t -127.83 109.95 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 51.32 111.128 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.95 24.93 22.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.673 -0.775 . . . . 74.519999999999996 112.553 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.08 -168.65 26.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 65.109999999999999 112.455 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.548 HG23 ' O ' ' I' ' 39' ' ' VAL . 4.0 p -168.25 121.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 55.409999999999997 111.146 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.631 HG22 ' HA ' ' I' ' 40' ' ' VAL . 18.2 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 60.439999999999998 111.138 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.828 0.347 . . . . 41.399999999999999 110.817 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.75 78.16 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 51.520000000000003 111.12 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.408 ' HA ' ' HA2' ' F' ' 29' ' ' GLY . 1.8 mp0 -53.96 -47.84 70.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 71.530000000000001 110.909 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.614 ' CZ ' ' HB2' ' F' ' 30' ' ' ALA . 17.5 m-85 -142.51 113.13 7.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 42.299999999999997 110.891 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -138.33 108.62 6.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 73.120000000000005 110.869 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -111.67 130.86 55.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 73.129999999999995 110.861 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -135.33 101.89 4.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 71.540000000000006 110.885 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -154.77 127.63 8.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 54.200000000000003 110.833 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.62 -28.98 31.25 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 73.019999999999996 112.505 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -149.62 112.46 4.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 74.120000000000005 110.912 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -110.04 124.06 50.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 73.010000000000005 110.907 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.8 t -135.33 113.56 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 71.420000000000002 111.127 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -120.03 132.75 55.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 73.540000000000006 110.83 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -134.95 122.68 22.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 54.409999999999997 110.893 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -129.2 132.87 47.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 72.010000000000005 110.89 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -128.57 116.4 19.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 73.319999999999993 110.906 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.473 HD12 ' HE1' ' A' ' 19' ' ' PHE . 3.8 mm? -115.05 110.85 20.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 70.450000000000003 110.913 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.716 HG12 ' CG2' ' B' ' 18' ' ' VAL . 27.0 m -115.66 122.37 69.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 75.010000000000005 111.115 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.473 ' HE1' HD12 ' A' ' 17' ' ' LEU . 8.8 m-85 -105.99 107.63 18.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 74.239999999999995 110.854 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 59.16 89.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 65.239999999999995 110.878 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.31 129.79 55.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 72.430000000000007 111.092 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 62.96 102.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 64.430000000000007 110.909 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.69 HG13 HG23 ' B' ' 24' ' ' VAL . 13.5 p -146.22 135.7 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 75.25 111.109 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.54 -48.76 84.44 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.799 -0.715 . . . . 71.439999999999998 112.492 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.3 m -160.57 139.78 10.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 42.439999999999998 110.87 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.47 ' OD1' HG21 ' A' ' 24' ' ' VAL . 60.8 m-20 -114.38 103.47 11.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 70.129999999999995 110.932 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -115.31 176.3 5.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 75.109999999999999 110.921 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.28 -135.38 27.57 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.731 -0.747 . . . . 62.109999999999999 112.515 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.544 ' HB2' ' CZ ' ' F' ' 4' ' ' PHE . . . -87.96 113.8 23.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 71.219999999999999 111.1 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.679 HG22 ' CZ ' ' B' ' 20' ' ' PHE . 1.9 mp -122.57 106.69 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 41.119999999999997 111.122 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 mt -135.17 117.41 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 64.109999999999999 111.115 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.54 -49.67 20.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 71.310000000000002 112.47 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.835 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -155.94 152.29 28.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 64.409999999999997 110.915 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.45 ' HE1' HG12 ' B' ' 39' ' ' VAL . 7.8 mmm -125.26 123.03 38.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 74.549999999999997 110.84 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.743 HG21 HG21 ' F' ' 36' ' ' VAL . 90.7 t -109.22 115.12 48.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 45.329999999999998 111.091 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.67 -51.06 0.78 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 71.5 112.517 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.23 152.68 6.55 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.702 -0.761 . . . . 74.209999999999994 112.45 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.926 HG23 HG13 ' B' ' 39' ' ' VAL . 4.0 p -114.78 143.2 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 61.020000000000003 111.132 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.659 ' CG2' HG12 ' B' ' 40' ' ' VAL . 18.4 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 72.519999999999996 111.068 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.838 0.351 . . . . 73.219999999999999 110.903 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.54 78.57 1.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 75.25 111.068 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.403 ' HA ' ' HA2' ' G' ' 29' ' ' GLY . 1.8 mp0 -54.0 -46.5 71.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 74.019999999999996 110.897 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.645 ' CZ ' ' HB2' ' G' ' 30' ' ' ALA . 14.7 m-85 -144.09 113.4 6.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 75.340000000000003 110.953 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -135.96 109.33 7.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 72.209999999999994 110.901 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -112.23 131.29 55.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 73.430000000000007 110.88 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -135.81 102.24 5.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 65.040000000000006 110.828 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 10.7 t -156.27 126.79 6.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 62.130000000000003 110.907 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.3 -28.35 34.81 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 72.319999999999993 112.491 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -149.65 111.43 4.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.362 . . . . 72.299999999999997 110.919 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -106.85 125.16 50.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 75.420000000000002 110.895 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.4 t -134.3 113.39 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 71.299999999999997 111.117 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 60.0 m170 -120.34 131.6 54.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 62.43 110.842 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -134.81 123.29 23.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 64.239999999999995 110.824 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -129.07 132.54 47.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.433 . . . . 64.400000000000006 110.911 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -126.94 115.82 19.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 52.219999999999999 110.917 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.529 HD12 ' HE1' ' B' ' 19' ' ' PHE . 3.7 mm? -118.19 109.95 16.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 72.310000000000002 110.929 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.722 HG12 ' CG2' ' C' ' 18' ' ' VAL . 33.0 m -117.3 121.55 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 75.540000000000006 111.099 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.529 ' HE1' HD12 ' B' ' 17' ' ' LEU . 3.9 m-30 -103.94 110.13 22.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 74.120000000000005 110.903 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.679 ' CZ ' HG22 ' A' ' 31' ' ' ILE . 4.5 m-30 59.3 88.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 71.420000000000002 110.887 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.5 129.42 55.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.349999999999994 111.149 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 62.92 103.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 65.219999999999999 110.872 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.69 HG23 HG13 ' A' ' 24' ' ' VAL . 13.9 p -147.48 134.1 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 73.140000000000001 111.11 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.93 -47.2 92.45 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 61.520000000000003 112.521 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 16.5 m -160.45 139.28 10.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.37 . . . . 71.420000000000002 110.858 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.542 ' OD1' HG21 ' B' ' 24' ' ' VAL . 57.6 m-20 -113.78 103.42 11.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 72.140000000000001 110.897 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -115.57 177.28 4.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 73.430000000000007 110.899 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.52 -135.49 28.57 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 54.109999999999999 112.488 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.566 ' HB2' ' CZ ' ' G' ' 4' ' ' PHE . . . -88.74 113.69 24.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 65.219999999999999 111.058 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.687 HG22 ' CZ ' ' C' ' 20' ' ' PHE . 1.9 mp -122.41 106.67 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 72.140000000000001 111.123 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -133.77 117.49 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 75.340000000000003 111.12 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.422 ' HA3' ' HB3' ' B' ' 19' ' ' PHE . . . -46.59 -50.45 14.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 55.109999999999999 112.516 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.829 ' N ' HD13 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -154.85 150.97 28.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 64.200000000000003 110.949 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 14.4 mmm -123.72 120.56 33.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 62.0 110.865 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.706 HG21 HG21 ' G' ' 36' ' ' VAL . 88.4 t -110.02 114.69 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 73.209999999999994 111.062 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.8 -50.9 0.79 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 73.150000000000006 112.466 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.34 151.96 6.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.75 . . . . 64.430000000000007 112.498 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.939 HG23 HG13 ' C' ' 39' ' ' VAL . 3.3 p -115.77 143.0 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 62.119999999999997 111.145 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.659 HG12 ' CG2' ' A' ' 40' ' ' VAL . 18.6 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 74.120000000000005 111.124 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.852 0.358 . . . . 73.0 110.854 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 2' ' ' ALA . . . . . 0.403 ' HA ' ' HB3' ' D' ' 2' ' ' ALA . . . -113.69 78.23 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 73.209999999999994 111.103 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 3' ' ' GLU . . . . . 0.4 ' HA ' ' HA2' ' H' ' 29' ' ' GLY . 1.8 mp0 -54.15 -46.86 72.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.437 . . . . 73.420000000000002 110.871 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 4' ' ' PHE . . . . . 0.642 ' CZ ' ' HB2' ' H' ' 30' ' ' ALA . 16.9 m-85 -143.59 113.76 7.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 72.109999999999999 110.883 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -134.89 108.71 8.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 75.340000000000003 110.842 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -112.21 130.35 55.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 73.409999999999997 110.859 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -134.7 101.9 5.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 73.450000000000003 110.822 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -156.17 126.85 6.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 74.109999999999999 110.876 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.66 -28.14 37.11 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 71.230000000000004 112.458 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -149.5 112.28 4.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.897 0.379 . . . . 65.239999999999995 110.886 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -106.46 125.3 50.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 74.519999999999996 110.877 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 24.1 t -133.98 113.52 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 64.310000000000002 111.148 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -120.0 131.18 55.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 73.299999999999997 110.838 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -134.98 122.48 21.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 61.32 110.883 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -129.68 132.48 46.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 74.450000000000003 110.928 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -125.65 115.91 20.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 71.209999999999994 110.916 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.525 HD12 ' HE1' ' C' ' 19' ' ' PHE . 3.7 mm? -119.36 110.01 16.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 62.5 110.93 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.722 ' CG2' HG12 ' B' ' 18' ' ' VAL . 34.7 m -117.8 122.26 69.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 74.209999999999994 111.173 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.525 ' HE1' HD12 ' C' ' 17' ' ' LEU . 2.9 m-30 -103.55 110.47 22.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 73.25 110.844 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.687 ' CZ ' HG22 ' B' ' 31' ' ' ILE . 4.3 m-30 59.0 88.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 74.310000000000002 110.907 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.55 129.58 55.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 62.340000000000003 111.087 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.32 103.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 71.430000000000007 110.85 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.688 HG23 HG13 ' B' ' 24' ' ' VAL . 14.8 p -147.8 133.3 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 72.25 111.147 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.42 -46.56 94.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.69 -0.767 . . . . 72.319999999999993 112.489 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 16.8 m -160.16 139.6 11.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.356 . . . . 61.030000000000001 110.905 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.547 ' OD1' HG21 ' C' ' 24' ' ' VAL . 57.0 m-20 -113.55 103.31 11.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 72.349999999999994 110.894 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.406 ' C ' HD11 ' C' ' 31' ' ' ILE . 1.6 tptm -116.0 177.59 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 64.420000000000002 110.919 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.49 -135.51 28.42 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 72.239999999999995 112.464 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.554 ' HB2' ' CZ ' ' H' ' 4' ' ' PHE . . . -88.48 113.71 24.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.769 0.319 . . . . 70.430000000000007 111.109 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.687 HG22 ' CZ ' ' D' ' 20' ' ' PHE . 1.9 mp -122.69 106.57 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 72.319999999999993 111.116 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -133.62 118.32 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 71.239999999999995 111.112 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.429 ' HA3' ' HB3' ' C' ' 19' ' ' PHE . . . -47.11 -50.92 15.15 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.751 . . . . 71.140000000000001 112.487 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.832 ' N ' HD13 ' C' ' 34' ' ' LEU . 0.0 OUTLIER -153.75 150.98 29.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.812 0.339 . . . . 74.319999999999993 110.932 -179.902 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 15.8 mmm -124.87 119.14 27.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 63.229999999999997 110.916 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.747 HG21 HG21 ' H' ' 36' ' ' VAL . 86.6 t -110.26 115.54 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 62.310000000000002 111.124 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.06 -51.45 0.76 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 55.240000000000002 112.487 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.47 151.71 6.11 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.776 -0.726 . . . . 54.240000000000002 112.509 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.939 HG13 HG23 ' B' ' 39' ' ' VAL . 3.2 p -115.05 142.85 26.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 73.209999999999994 111.169 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.646 ' CG2' HG12 ' D' ' 40' ' ' VAL . 19.7 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 53.420000000000002 111.152 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.793 0.33 . . . . 63.329999999999998 110.853 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 2' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' C' ' 2' ' ' ALA . . . -113.12 76.45 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 71.549999999999997 111.095 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 3' ' ' GLU . . . . . 0.4 ' HA ' ' HA2' ' I' ' 29' ' ' GLY . 1.8 mp0 -53.33 -47.71 69.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 73.310000000000002 110.874 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 4' ' ' PHE . . . . . 0.631 ' CZ ' ' HB2' ' I' ' 30' ' ' ALA . 17.8 m-85 -143.7 113.57 7.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 63.399999999999999 110.846 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -133.24 108.54 8.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 74.120000000000005 110.873 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -111.79 129.51 56.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 65.120000000000005 110.852 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -133.31 101.27 5.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 72.400000000000006 110.828 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -156.71 127.09 6.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 75.310000000000002 110.872 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.85 -27.62 44.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 72.450000000000003 112.481 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -149.3 112.93 5.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 75.409999999999997 110.909 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -106.48 126.06 51.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.063 -0.517 . . . . 72.409999999999997 110.906 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 24.6 t -134.07 114.13 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 64.450000000000003 111.136 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 59.6 m170 -120.04 132.26 55.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 63.219999999999999 110.863 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -135.73 122.81 21.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 64.420000000000002 110.808 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -130.25 132.08 45.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 73.319999999999993 110.905 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -124.73 115.49 20.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 73.430000000000007 110.89 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.434 ' CB ' HD13 ' E' ' 17' ' ' LEU . 3.8 mm? -121.12 110.16 15.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 72.019999999999996 110.93 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.705 ' CG2' HG12 ' C' ' 18' ' ' VAL . 26.8 m -118.36 122.74 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 71.010000000000005 111.094 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.43 ' HE1' HD12 ' D' ' 17' ' ' LEU . 2.2 m-30 -102.59 109.64 21.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 74.140000000000001 110.87 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.687 ' CZ ' HG22 ' C' ' 31' ' ' ILE . 4.4 m-30 59.03 89.17 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 43.310000000000002 110.866 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.94 129.44 55.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 62.420000000000002 111.122 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.71 103.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 54.420000000000002 110.847 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.671 HG23 HG13 ' C' ' 24' ' ' VAL . 14.5 p -148.05 133.0 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 65.200000000000003 111.182 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.64 -46.62 93.88 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 45.109999999999999 112.518 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 17.1 m -159.74 139.87 11.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.903 0.382 . . . . 62.030000000000001 110.886 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.544 ' OD1' HG21 ' D' ' 24' ' ' VAL . 57.4 m-20 -113.02 103.15 11.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 54.009999999999998 110.888 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 28' ' ' LYS . . . . . 0.418 ' C ' HD11 ' D' ' 31' ' ' ILE . 1.7 tptm -116.64 177.71 4.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 73.310000000000002 110.878 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.96 -134.83 31.32 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 63.009999999999998 112.485 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.547 ' HB2' ' CZ ' ' I' ' 4' ' ' PHE . . . -89.14 113.94 25.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 72.219999999999999 111.12 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.7 HG22 ' CZ ' ' E' ' 20' ' ' PHE . 1.9 mp -122.99 106.86 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 54.32 111.14 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -133.61 120.25 36.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 63.329999999999998 111.095 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 33' ' ' GLY . . . . . 0.469 ' C ' HD13 ' D' ' 34' ' ' LEU . . . -48.96 -52.89 20.32 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.722 -0.751 . . . . 65.040000000000006 112.505 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.817 ' N ' HD13 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -151.19 148.96 28.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 72.340000000000003 110.895 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 15.7 mmm -124.06 118.38 26.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 65.129999999999995 110.893 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.855 HG21 HG21 ' I' ' 36' ' ' VAL . 85.0 t -111.46 116.0 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 72.540000000000006 111.126 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.56 -51.96 0.73 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.79 -0.719 . . . . 73.329999999999998 112.494 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.18 152.25 6.28 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 45.119999999999997 112.483 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.9 HG13 HG23 ' C' ' 39' ' ' VAL . 3.2 p -114.86 143.02 25.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.916 0.389 . . . . 71.420000000000002 111.116 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.653 ' CG2' HG12 ' E' ' 40' ' ' VAL . 19.2 m . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 72.5 111.101 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.833 0.349 . . . . 74.430000000000007 110.839 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.0 79.61 1.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 70.030000000000001 111.096 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 3' ' ' GLU . . . . . 0.414 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . 1.8 mp0 -51.36 -46.28 62.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 72.239999999999995 110.893 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 4' ' ' PHE . . . . . 0.612 ' CZ ' ' HB2' ' J' ' 30' ' ' ALA . 19.6 m-85 -143.53 114.9 7.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 71.129999999999995 110.866 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -131.64 107.7 9.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 74.420000000000002 110.893 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -112.35 128.93 56.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 73.25 110.899 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -131.4 100.26 5.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 72.400000000000006 110.836 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -157.07 127.93 6.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 71.409999999999997 110.854 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.19 -25.88 57.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 61.329999999999998 112.493 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -149.22 112.16 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.366 . . . . 72.140000000000001 110.875 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -105.58 126.5 52.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.085 -0.507 . . . . 75.409999999999997 110.89 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 24.6 t -132.8 114.29 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 71.209999999999994 111.116 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -119.99 131.18 55.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 75.329999999999998 110.867 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -134.79 122.83 22.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 74.109999999999999 110.874 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -132.32 132.96 43.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 72.409999999999997 110.917 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 16' ' ' LYS . . . . . 0.412 ' O ' HD22 ' E' ' 17' ' ' LEU . 6.7 tttp -125.48 114.97 19.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 72.219999999999999 110.929 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.434 HD13 ' CB ' ' D' ' 17' ' ' LEU . 3.9 mm? -121.75 107.7 12.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 70.129999999999995 110.906 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.691 ' CG2' HG12 ' D' ' 18' ' ' VAL . 29.3 m -115.31 125.45 72.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 74.349999999999994 111.165 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -102.85 108.72 20.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 75.329999999999998 110.869 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.7 ' CZ ' HG22 ' D' ' 31' ' ' ILE . 4.6 m-30 59.44 89.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 70.230000000000004 110.866 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.84 129.87 55.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 74.439999999999998 111.088 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.04 104.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 75.549999999999997 110.87 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.659 HG23 ' CG1' ' D' ' 24' ' ' VAL . 13.7 p -150.06 132.76 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 74.239999999999995 111.138 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.45 -46.42 93.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 55.350000000000001 112.478 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 16.4 m -160.25 140.1 11.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.37 . . . . 74.430000000000007 110.826 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.541 ' OD1' HG21 ' E' ' 24' ' ' VAL . 56.0 m-20 -112.12 102.4 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 71.239999999999995 110.882 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -116.76 178.15 4.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 73.150000000000006 110.893 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.6 -134.39 34.42 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.759 . . . . 71.040000000000006 112.498 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.524 ' HB2' ' CZ ' ' J' ' 4' ' ' PHE . . . -88.93 113.76 24.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 74.409999999999997 111.105 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.444 HG23 ' HE2' ' E' ' 20' ' ' PHE . 2.0 mp -122.63 107.31 19.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 73.019999999999996 111.136 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -132.32 118.22 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 75.299999999999997 111.132 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 33' ' ' GLY . . . . . 0.613 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -49.73 -49.33 34.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 74.219999999999999 112.493 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.741 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -152.15 150.89 30.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 63.530000000000001 110.971 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 24.2 mmm -128.82 118.26 22.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 72.209999999999994 110.866 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.913 HG21 HG21 ' J' ' 36' ' ' VAL . 85.7 t -117.11 115.71 49.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 74.230000000000004 111.137 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.48 -49.64 0.86 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.73 . . . . 71.129999999999995 112.487 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 134.58 151.24 6.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 71.219999999999999 112.496 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.88 HG13 HG23 ' D' ' 39' ' ' VAL . 3.9 p -115.45 142.48 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 52.340000000000003 111.15 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.653 HG12 ' CG2' ' D' ' 40' ' ' VAL . 19.1 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 61.240000000000002 111.125 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.805 0.336 . . . . 74.439999999999998 110.884 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' F' F ' 2' ' ' ALA . . . . . 0.4 ' HA ' ' HB3' ' G' ' 2' ' ' ALA . . . -112.42 77.19 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 73.510000000000005 111.11 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -52.82 -50.2 64.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 52.520000000000003 110.853 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 4' ' ' PHE . . . . . 0.544 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 14.9 m-85 -140.82 113.97 8.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.439999999999998 110.905 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -137.98 109.08 6.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 75.420000000000002 110.82 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -111.23 130.36 55.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 72.409999999999997 110.849 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -135.05 102.19 5.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 71.340000000000003 110.878 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 10.7 t -154.76 127.37 8.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 61.130000000000003 110.813 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.65 -29.17 31.97 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 52.219999999999999 112.5 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -149.51 112.28 4.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 74.239999999999995 110.909 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -109.16 124.07 50.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 73.040000000000006 110.866 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 23.2 t -134.29 113.55 17.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 73.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -120.69 132.4 55.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 73.549999999999997 110.846 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -135.79 121.9 20.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 71.420000000000002 110.854 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -129.66 133.02 46.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 63.020000000000003 110.903 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -129.31 116.96 19.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 74.209999999999994 110.874 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.465 HD12 ' HE1' ' F' ' 19' ' ' PHE . 3.8 mm? -114.73 111.34 21.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 71.409999999999997 110.896 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.715 HG12 ' CG2' ' G' ' 18' ' ' VAL . 27.9 m -115.73 122.4 69.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 74.510000000000005 111.096 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.465 ' HE1' HD12 ' F' ' 17' ' ' LEU . 8.8 m-85 -105.27 107.96 19.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 74.25 110.882 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 59.33 88.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 74.030000000000001 110.878 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.63 129.98 55.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 55.420000000000002 111.087 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.78 103.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 72.329999999999998 110.853 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.665 ' CG1' HG23 ' G' ' 24' ' ' VAL . 14.3 p -146.13 134.94 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 65.450000000000003 111.153 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.8 -48.64 84.24 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.766 -0.731 . . . . 71.420000000000002 112.487 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 17.1 m -160.64 139.59 10.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.382 . . . . 55.140000000000001 110.854 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 27' ' ' ASN . . . . . 0.42 ' HB3' HD13 ' F' ' 31' ' ' ILE . 49.3 m-20 -109.4 102.81 11.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 74.439999999999998 110.854 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -114.34 173.64 6.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 54.210000000000001 110.87 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 29' ' ' GLY . . . . . 0.408 ' HA2' ' HA ' ' A' ' 3' ' ' GLU . . . 50.11 -139.89 18.69 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 64.129999999999995 112.528 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.614 ' HB2' ' CZ ' ' A' ' 4' ' ' PHE . . . -87.26 114.52 23.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.776 0.322 . . . . 72.129999999999995 111.067 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.66 HG22 ' CZ ' ' G' ' 20' ' ' PHE . 2.0 mp -120.96 109.08 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 75.120000000000005 111.1 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -133.61 117.05 25.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 61.539999999999999 111.125 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.03 -50.14 16.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 64.219999999999999 112.462 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.833 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -156.84 152.39 26.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 64.049999999999997 110.914 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' F' F ' 35' ' ' MET . . . . . 0.459 ' HE1' HG12 ' G' ' 39' ' ' VAL . 8.8 mmm -124.86 122.89 38.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 44.399999999999999 110.882 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.743 HG21 HG21 ' A' ' 36' ' ' VAL . 90.4 t -109.15 114.61 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 73.209999999999994 111.128 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.95 -50.8 0.8 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.769 -0.729 . . . . 64.319999999999993 112.465 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.13 152.92 6.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.763 . . . . 71.439999999999998 112.491 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.953 HG23 HG13 ' G' ' 39' ' ' VAL . 3.8 p -114.5 142.93 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 74.129999999999995 111.156 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.644 ' CG2' HG12 ' G' ' 40' ' ' VAL . 18.9 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 65.420000000000002 111.094 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.802 0.335 . . . . 51.219999999999999 110.83 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' G' G ' 2' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' F' ' 2' ' ' ALA . . . -112.06 76.74 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 71.400000000000006 111.067 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.88 -49.77 65.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 75.140000000000001 110.887 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 4' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' B' ' 30' ' ' ALA . 15.6 m-85 -141.95 114.37 8.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 74.420000000000002 110.89 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -136.41 110.66 8.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 72.239999999999995 110.86 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -112.84 131.19 55.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 74.549999999999997 110.858 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -135.75 102.37 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 72.049999999999997 110.873 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 10.7 t -156.3 126.63 6.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 71.239999999999995 110.881 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.46 -28.24 35.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 65.099999999999994 112.473 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -149.45 111.42 4.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.808 0.337 . . . . 61.039999999999999 110.916 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -106.95 124.93 50.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 72.230000000000004 110.898 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 23.7 t -134.23 113.76 17.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 24.219999999999999 111.119 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -120.44 131.35 54.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 74.409999999999997 110.86 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -134.55 122.85 22.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 74.310000000000002 110.891 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -129.51 132.62 46.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 75.519999999999996 110.9 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -127.37 115.69 19.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 71.329999999999998 110.897 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.527 HD12 ' HE1' ' G' ' 19' ' ' PHE . 3.7 mm? -117.69 110.16 17.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 73.329999999999998 110.945 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.715 ' CG2' HG12 ' F' ' 18' ' ' VAL . 35.5 m -117.5 121.75 68.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 71.530000000000001 111.144 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.527 ' HE1' HD12 ' G' ' 17' ' ' LEU . 3.8 m-30 -103.46 109.89 21.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 64.140000000000001 110.9 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 0.66 ' CZ ' HG22 ' F' ' 31' ' ' ILE . 4.3 m-30 59.13 88.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 71.450000000000003 110.863 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.27 130.44 55.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 42.439999999999998 111.074 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 63.56 103.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 65.219999999999999 110.804 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.687 HG13 HG23 ' H' ' 24' ' ' VAL . 13.3 p -147.08 133.72 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 65.109999999999999 111.141 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.25 -47.35 91.5 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.742 -0.742 . . . . 44.329999999999998 112.515 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 18.2 m -160.59 139.39 10.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.899 0.38 . . . . 74.329999999999998 110.857 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 27' ' ' ASN . . . . . 0.471 ' OD1' HG21 ' G' ' 24' ' ' VAL . 54.7 m-20 -110.41 103.63 12.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 75.219999999999999 110.925 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -114.57 174.64 5.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 64.310000000000002 110.931 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 29' ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' B' ' 3' ' ' GLU . . . 50.46 -140.14 20.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.706 -0.759 . . . . 72.109999999999999 112.506 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.645 ' HB2' ' CZ ' ' B' ' 4' ' ' PHE . . . -87.06 114.54 23.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.738 0.304 . . . . 61.340000000000003 111.117 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.672 HG22 ' CZ ' ' H' ' 20' ' ' PHE . 2.0 mp -120.99 108.8 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 62.109999999999999 111.087 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -132.67 117.55 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 72.129999999999995 111.098 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 33' ' ' GLY . . . . . 0.415 ' HA3' ' HB3' ' G' ' 19' ' ' PHE . . . -47.18 -50.94 15.51 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 44.229999999999997 112.467 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.831 ' N ' HD13 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -154.82 150.98 28.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.778 0.323 . . . . 64.409999999999997 110.912 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 14.1 mmm -124.06 120.56 32.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 73.409999999999997 110.876 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.706 HG21 HG21 ' B' ' 36' ' ' VAL . 90.3 t -109.9 114.43 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 74.140000000000001 111.142 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.03 -51.09 0.79 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 43.140000000000001 112.509 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.18 152.44 6.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 34.520000000000003 112.493 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.953 HG13 HG23 ' F' ' 39' ' ' VAL . 3.1 p -115.06 142.73 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 43.119999999999997 111.122 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.651 ' CG2' HG12 ' H' ' 40' ' ' VAL . 17.4 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 63.43 111.172 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.789 0.328 . . . . 71.209999999999994 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.92 77.07 1.01 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 63.200000000000003 111.126 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -52.37 -50.05 63.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 62.509999999999998 110.927 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 4' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' C' ' 30' ' ' ALA . 16.4 m-85 -141.21 114.27 8.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 71.430000000000007 110.888 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -135.27 109.38 8.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.15 -0.477 . . . . 74.310000000000002 110.837 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -112.43 130.31 56.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 65.140000000000001 110.848 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -134.88 102.29 5.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 64.209999999999994 110.857 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 10.7 t -156.12 126.62 6.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 51.009999999999998 110.861 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.63 -28.24 37.11 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.685 -0.769 . . . . 73.420000000000002 112.557 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -149.27 111.47 4.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.371 . . . . 74.310000000000002 110.932 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -105.71 124.88 50.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 70.430000000000007 110.904 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 24.0 t -134.1 113.66 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 63.130000000000003 111.149 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -120.3 131.35 54.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 70.349999999999994 110.807 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -135.33 122.52 21.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 74.25 110.871 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -130.18 132.63 46.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 64.510000000000005 110.893 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -125.66 116.44 21.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 71.219999999999999 110.882 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.512 HD12 ' HE1' ' H' ' 19' ' ' PHE . 3.6 mm? -119.4 109.82 16.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 74.219999999999999 110.934 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.71 ' CG2' HG12 ' G' ' 18' ' ' VAL . 35.5 m -117.6 122.5 69.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 74.319999999999993 111.114 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.512 ' HE1' HD12 ' H' ' 17' ' ' LEU . 3.0 m-30 -103.32 109.64 21.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 75.549999999999997 110.895 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 20' ' ' PHE . . . . . 0.672 ' CZ ' HG22 ' G' ' 31' ' ' ILE . 4.3 m-30 59.3 88.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 72.510000000000005 110.898 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.54 130.17 55.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 74.349999999999994 111.119 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.84 102.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 64.349999999999994 110.921 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 24' ' ' VAL . . . . . 0.687 HG23 HG13 ' G' ' 24' ' ' VAL . 14.9 p -147.48 133.33 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 63.219999999999999 111.167 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.65 -47.26 92.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 54.25 112.482 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 18.3 m -160.18 139.46 10.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 62.439999999999998 110.856 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 27' ' ' ASN . . . . . 0.469 ' OD1' HG21 ' H' ' 24' ' ' VAL . 53.3 m-20 -110.39 103.24 11.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 72.409999999999997 110.902 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -114.6 175.22 5.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 73.040000000000006 110.891 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 29' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' C' ' 3' ' ' GLU . . . 50.6 -139.61 21.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 73.239999999999995 112.522 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 30' ' ' ALA . . . . . 0.642 ' HB2' ' CZ ' ' C' ' 4' ' ' PHE . . . -86.78 114.2 23.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 72.129999999999995 111.076 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.679 HG22 ' CZ ' ' I' ' 20' ' ' PHE . 1.9 mp -121.17 108.14 21.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 74.129999999999995 111.152 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -132.56 118.08 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 71.010000000000005 111.108 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 33' ' ' GLY . . . . . 0.411 ' HA3' ' HB3' ' H' ' 19' ' ' PHE . . . -47.49 -51.13 16.98 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 65.519999999999996 112.483 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.825 ' N ' HD13 ' H' ' 34' ' ' LEU . 0.0 OUTLIER -153.67 150.97 29.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 71.430000000000007 110.893 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 15.7 mmm -125.15 119.15 27.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 70.200000000000003 110.892 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.747 HG21 HG21 ' C' ' 36' ' ' VAL . 87.7 t -110.09 115.6 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 74.430000000000007 111.164 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.92 -51.51 0.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 34.119999999999997 112.466 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.16 152.75 6.4 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.747 -0.74 . . . . 55.240000000000002 112.464 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.936 HG13 HG23 ' G' ' 39' ' ' VAL . 3.0 p -115.02 142.59 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 71.340000000000003 111.128 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' H' H ' 40' ' ' VAL . . . . . 0.66 ' CG2' HG12 ' I' ' 40' ' ' VAL . 17.2 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 71.230000000000004 111.155 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.821 0.344 . . . . 71.129999999999995 110.862 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.5 77.8 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 64.219999999999999 111.097 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -51.89 -49.88 62.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 60.329999999999998 110.937 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 4' ' ' PHE . . . . . 0.547 ' CZ ' ' HB2' ' D' ' 30' ' ' ALA . 16.9 m-85 -141.72 114.24 8.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 75.239999999999995 110.877 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -134.25 109.55 8.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 42.509999999999998 110.895 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -112.34 129.61 56.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 74.430000000000007 110.909 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -133.86 101.68 5.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 73.209999999999994 110.885 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -156.66 126.78 6.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 62.130000000000003 110.85 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.53 -27.96 43.39 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.753 . . . . 64.040000000000006 112.469 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -149.1 112.55 5.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 61.140000000000001 110.916 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -105.51 125.48 51.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 52.420000000000002 110.875 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 24.5 t -133.61 113.98 19.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 75.0 111.15 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -119.72 132.18 55.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 74.25 110.837 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -135.68 122.5 21.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 60.43 110.891 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -130.55 132.2 45.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 73.299999999999997 110.906 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 16' ' ' LYS . . . . . 0.409 ' O ' HD22 ' I' ' 17' ' ' LEU . 6.8 tttp -125.0 115.61 20.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 70.329999999999998 110.883 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.437 ' CB ' HD13 ' J' ' 17' ' ' LEU . 3.8 mm? -121.29 110.14 15.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 70.129999999999995 110.911 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 18' ' ' VAL . . . . . 0.699 ' CG2' HG12 ' H' ' 18' ' ' VAL . 28.7 m -118.37 123.1 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 71.129999999999995 111.123 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 19' ' ' PHE . . . . . 0.427 ' N ' ' CD1' ' I' ' 19' ' ' PHE . 2.3 m-30 -102.75 109.06 20.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 75.450000000000003 110.848 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 20' ' ' PHE . . . . . 0.679 ' CZ ' HG22 ' H' ' 31' ' ' ILE . 4.3 m-30 59.08 88.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 61.450000000000003 110.877 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.34 130.11 55.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 74.319999999999993 111.111 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.61 102.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 71.319999999999993 110.883 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.678 HG23 HG13 ' H' ' 24' ' ' VAL . 14.8 p -147.76 133.02 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 74.019999999999996 111.127 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.82 -46.68 94.04 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 74.010000000000005 112.457 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 17.4 m -160.51 139.79 10.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 63.32 110.865 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 27' ' ' ASN . . . . . 0.469 ' OD1' HG21 ' I' ' 24' ' ' VAL . 52.4 m-20 -110.55 102.46 11.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 75.120000000000005 110.924 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -114.54 175.94 5.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 73.120000000000005 110.883 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 29' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' D' ' 3' ' ' GLU . . . 50.89 -138.32 26.0 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.77 -0.728 . . . . 64.120000000000005 112.515 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.631 ' HB2' ' CZ ' ' D' ' 4' ' ' PHE . . . -87.38 114.57 24.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.759 0.314 . . . . 64.209999999999994 111.099 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.692 HG22 ' CZ ' ' J' ' 20' ' ' PHE . 1.9 mp -121.89 108.14 21.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 74.209999999999994 111.134 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -132.76 119.95 39.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 71.129999999999995 111.129 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 33' ' ' GLY . . . . . 0.468 ' C ' HD13 ' I' ' 34' ' ' LEU . . . -49.25 -53.2 20.49 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 60.32 112.467 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.82 ' N ' HD13 ' I' ' 34' ' ' LEU . 0.0 OUTLIER -151.13 148.87 28.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.77 0.319 . . . . 70.439999999999998 110.936 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 16.3 mmm -124.0 118.33 26.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 55.140000000000001 110.877 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.855 HG21 HG21 ' D' ' 36' ' ' VAL . 84.4 t -111.02 115.96 51.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 74.040000000000006 111.123 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.42 -52.11 0.72 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 61.149999999999999 112.463 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.25 152.6 6.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 71.540000000000006 112.449 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 0.925 HG13 HG23 ' H' ' 39' ' ' VAL . 3.2 p -114.83 143.35 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 75.340000000000003 111.115 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' I' I ' 40' ' ' VAL . . . . . 0.66 HG12 ' CG2' ' H' ' 40' ' ' VAL . 18.1 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 63.039999999999999 111.145 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.82 0.343 . . . . 73.340000000000003 110.849 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.37 77.14 1.02 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 71.209999999999994 111.123 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -51.41 -49.57 61.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 71.129999999999995 110.879 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 4' ' ' PHE . . . . . 0.524 ' CZ ' ' HB2' ' E' ' 30' ' ' ALA . 16.8 m-85 -142.25 115.08 8.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 71.239999999999995 110.913 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -133.37 108.6 8.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 74.129999999999995 110.843 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -112.2 128.07 56.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 62.140000000000001 110.884 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -131.22 100.96 5.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 73.140000000000001 110.864 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 10.9 t -157.09 127.87 6.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 74.25 110.84 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.99 -26.45 58.23 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.692 -0.766 . . . . 74.530000000000001 112.551 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -149.08 111.89 4.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.838 0.351 . . . . 73.129999999999995 110.947 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -104.43 126.77 51.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 71.530000000000001 110.87 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 24.7 t -133.37 114.04 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 75.349999999999994 111.127 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -119.66 131.1 55.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 74.129999999999995 110.865 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -134.98 122.96 22.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 74.340000000000003 110.837 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -132.93 132.87 42.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 70.129999999999995 110.897 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 16' ' ' LYS . . . . . 0.428 ' O ' HD22 ' J' ' 17' ' ' LEU . 6.7 tttp -125.27 115.28 20.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 70.099999999999994 110.896 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.437 HD13 ' CB ' ' I' ' 17' ' ' LEU . 3.9 mm? -121.95 107.02 11.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 70.430000000000007 110.925 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.695 ' CG2' HG12 ' I' ' 18' ' ' VAL . 27.9 m -114.9 125.84 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 53.240000000000002 111.123 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.412 ' N ' ' CD1' ' J' ' 19' ' ' PHE . 1.9 m-85 -102.51 108.95 20.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 74.540000000000006 110.91 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 20' ' ' PHE . . . . . 0.692 ' CZ ' HG22 ' I' ' 31' ' ' ILE . 4.5 m-30 59.35 89.71 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 74.439999999999998 110.884 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.63 130.56 55.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.505 . . . . 73.150000000000006 111.061 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.51 103.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 63.009999999999998 110.869 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.648 HG23 ' CG1' ' I' ' 24' ' ' VAL . 13.7 p -149.6 132.49 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 75.120000000000005 111.102 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.39 -46.56 93.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.722 . . . . 74.25 112.467 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 17.2 m -160.4 139.72 10.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 73.219999999999999 110.887 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 27' ' ' ASN . . . . . 0.491 ' OD1' HG21 ' J' ' 24' ' ' VAL . 57.4 m-20 -109.26 101.69 10.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 73.030000000000001 110.871 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -114.77 176.74 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 70.010000000000005 110.909 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 29' ' ' GLY . . . . . 0.414 ' HA2' ' HA ' ' E' ' 3' ' ' GLU . . . 51.38 -138.43 28.03 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 64.200000000000003 112.466 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 0.612 ' HB2' ' CZ ' ' E' ' 4' ' ' PHE . . . -87.16 114.43 23.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.764 0.316 . . . . 72.400000000000006 111.085 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.475 HG23 ' HE2' ' J' ' 20' ' ' PHE . 2.1 mp -120.79 108.52 23.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 73.010000000000005 111.115 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 32' ' ' ILE . . . . . 0.41 HG21 ' HG2' ' J' ' 35' ' ' MET . 2.5 mt -130.89 117.06 36.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 62.210000000000001 111.116 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 33' ' ' GLY . . . . . 0.593 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -49.7 -49.75 33.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.743 . . . . 74.140000000000001 112.467 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.753 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -152.24 150.91 30.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.336 . . . . 72.540000000000006 110.898 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' J' J ' 35' ' ' MET . . . . . 0.41 ' HG2' HG21 ' J' ' 32' ' ' ILE . 22.7 mmm -128.91 118.44 22.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 44.200000000000003 110.854 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.913 HG21 HG21 ' E' ' 36' ' ' VAL . 90.8 t -116.98 115.75 49.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 63.240000000000002 111.098 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.4 -49.39 0.87 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 51.539999999999999 112.484 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 134.57 151.23 6.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.723 . . . . 71.219999999999999 112.506 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.85 HG13 HG23 ' I' ' 39' ' ' VAL . 4.0 p -115.61 142.72 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.93 0.395 . . . . 74.420000000000002 111.108 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.643 HG12 ' CG2' ' I' ' 40' ' ' VAL . 19.1 m . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 72.219999999999999 111.139 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.825 0.345 . . . . 75.140000000000001 110.845 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.71 75.54 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 71.219999999999999 111.112 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.64 -31.31 24.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 70.420000000000002 110.905 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.742 ' CD2' ' HB2' ' F' ' 30' ' ' ALA . 1.4 t80 -164.3 115.42 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 64.420000000000002 110.911 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -127.37 109.3 11.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 74.150000000000006 110.877 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -108.98 108.44 19.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 75.340000000000003 110.898 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -115.34 102.01 9.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 71.319999999999993 110.843 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.0 p -149.96 175.43 11.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 74.439999999999998 110.898 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.73 -28.22 55.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 72.329999999999998 112.518 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.453 ' HD1' HG23 ' A' ' 12' ' ' VAL . 29.3 p90 -173.94 149.06 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.357 . . . . 75.329999999999998 110.9 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -108.1 119.36 39.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 72.409999999999997 110.912 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.453 HG23 ' HD1' ' A' ' 10' ' ' TYR . 97.9 t -134.58 113.99 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 62.350000000000001 111.115 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -128.95 122.09 29.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 72.310000000000002 110.819 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -129.1 125.78 37.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 63.240000000000002 110.859 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.437 ' HG3' HG12 ' F' ' 39' ' ' VAL . 0.0 OUTLIER -126.49 136.2 52.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 74.329999999999998 110.934 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.405 ' HD3' HG13 ' A' ' 18' ' ' VAL . 4.5 tttp -128.04 128.38 44.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 63.200000000000003 110.859 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.2 mt -126.23 108.2 11.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 62.329999999999998 110.929 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.732 HG12 ' CG2' ' B' ' 18' ' ' VAL . 28.3 m -115.23 119.22 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 71.310000000000002 111.153 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.442 ' HD2' HD12 ' B' ' 34' ' ' LEU . 5.4 m-85 -111.81 143.15 43.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 71.140000000000001 110.893 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.562 ' HE1' HG22 ' A' ' 31' ' ' ILE . 15.8 m-85 60.68 30.49 19.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 60.520000000000003 110.89 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.81 135.69 33.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 73.549999999999997 111.066 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 61.41 72.93 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 75.219999999999999 110.889 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.4 p -140.45 144.96 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 72.120000000000005 111.154 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.78 -58.96 5.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 74.099999999999994 112.464 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.4 m -159.66 141.79 13.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 72.049999999999997 110.879 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -108.26 107.33 17.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 70.319999999999993 110.877 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -114.77 163.34 15.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 64.549999999999997 110.894 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.69 -138.87 40.59 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.721 -0.752 . . . . 50.240000000000002 112.528 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.739 ' HB2' ' CD2' ' F' ' 4' ' ' PHE . . . -89.77 114.11 25.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.751 0.31 . . . . 54.219999999999999 111.098 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.562 HG22 ' HE1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -129.76 130.28 66.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 70.040000000000006 111.142 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.3 mt -134.75 122.85 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 73.420000000000002 111.125 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.98 -59.07 7.82 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 43.43 112.484 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.809 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -160.33 152.93 20.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.347 . . . . 51.130000000000003 110.867 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.411 ' CE ' HG13 ' A' ' 40' ' ' VAL . 2.7 mtp -134.09 127.92 33.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 65.120000000000005 110.888 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.725 HG11 HG11 ' F' ' 36' ' ' VAL . 38.2 t -121.6 114.7 44.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 71.200000000000003 111.106 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.28 36.23 74.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.789 -0.72 . . . . 74.129999999999995 112.473 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.4 -167.25 13.93 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 52.140000000000001 112.451 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.921 HG13 HG23 ' B' ' 39' ' ' VAL . 14.0 p -161.69 149.09 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 73.400000000000006 111.086 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.507 HG12 HG22 ' B' ' 40' ' ' VAL . 33.3 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 74.120000000000005 111.103 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.781 0.324 . . . . 70.049999999999997 110.851 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 2' ' ' ALA . . . . . 0.445 ' HA ' ' HB3' ' C' ' 2' ' ' ALA . . . -115.95 77.32 1.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 71.200000000000003 111.111 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.8 -30.53 9.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.409999999999997 110.932 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.667 ' CD2' ' HB2' ' G' ' 30' ' ' ALA . 1.4 t80 -163.16 115.67 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 72.5 110.905 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -126.07 110.86 14.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 74.049999999999997 110.844 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -107.94 109.86 21.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 71.099999999999994 110.891 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -116.3 101.11 8.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 73.010000000000005 110.876 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 16.7 p -151.6 175.09 12.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 64.230000000000004 110.859 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.42 -28.91 54.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 62.25 112.508 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.59 ' HD1' HG23 ' B' ' 12' ' ' VAL . 27.8 p90 -174.25 147.56 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 74.439999999999998 110.94 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -104.47 119.98 40.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 63.030000000000001 110.893 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.59 HG23 ' HD1' ' B' ' 10' ' ' TYR . 88.4 t -133.85 113.39 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 64.299999999999997 111.175 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -129.48 123.83 32.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 75.219999999999999 110.825 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -129.07 129.71 45.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 74.030000000000001 110.882 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.01 135.45 49.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 65.400000000000006 110.908 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -125.15 129.65 50.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 75.510000000000005 110.937 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.453 HD13 HD21 ' C' ' 17' ' ' LEU . 8.0 mt -132.4 107.34 8.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 64.120000000000005 110.9 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.732 ' CG2' HG12 ' A' ' 18' ' ' VAL . 29.3 m -116.83 119.81 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 54.240000000000002 111.149 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.415 ' HD2' HD12 ' C' ' 34' ' ' LEU . 2.0 m-85 -112.47 141.58 46.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 74.319999999999993 110.876 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.571 ' HE1' HG22 ' B' ' 31' ' ' ILE . 17.8 m-85 60.64 28.14 17.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 74.310000000000002 110.884 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.06 135.87 33.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 42.420000000000002 111.094 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 60.98 72.98 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 71.219999999999999 110.82 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 p -140.57 144.61 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 73.200000000000003 111.108 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.17 -57.77 6.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 71.340000000000003 112.505 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 36.4 m -160.39 141.23 11.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 71.099999999999994 110.855 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -108.95 107.53 17.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 72.219999999999999 110.89 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -114.37 163.49 15.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 42.119999999999997 110.868 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.24 -139.84 43.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 43.030000000000001 112.488 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.622 ' HB2' ' CD2' ' G' ' 4' ' ' PHE . . . -90.07 114.41 26.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.745 0.307 . . . . 62.130000000000003 111.131 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.571 HG22 ' HE1' ' B' ' 20' ' ' PHE . 0.3 OUTLIER -128.62 128.41 67.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 72.140000000000001 111.146 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 12.5 mt -131.67 122.78 50.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 71.150000000000006 111.114 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.17 -58.31 9.91 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 74.319999999999993 112.451 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.831 ' O ' HD22 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -156.92 153.92 28.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 75.200000000000003 110.883 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.5 mtp -132.97 123.12 25.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 74.209999999999994 110.847 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.881 HG11 HG11 ' G' ' 36' ' ' VAL . 26.2 t -121.57 112.22 34.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 63.149999999999999 111.142 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 54.08 37.51 58.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 61.210000000000001 112.482 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.63 -167.52 14.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 72.209999999999994 112.513 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.922 HG13 HG23 ' C' ' 39' ' ' VAL . 12.4 p -160.55 148.42 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.338 . . . . 74.5 111.158 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.507 HG22 HG12 ' A' ' 40' ' ' VAL . 34.7 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 72.329999999999998 111.142 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.845 0.355 . . . . 70.239999999999995 110.838 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 2' ' ' ALA . . . . . 0.445 ' HB3' ' HA ' ' B' ' 2' ' ' ALA . . . -116.37 75.69 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 62.439999999999998 111.089 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.28 -30.52 18.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 64.329999999999998 110.898 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 4' ' ' PHE . . . . . 0.61 ' CD2' ' HB2' ' H' ' 30' ' ' ALA . 1.4 t80 -163.64 116.24 1.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 75.140000000000001 110.9 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -125.96 111.7 15.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 72.430000000000007 110.866 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -108.2 109.27 20.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 74.200000000000003 110.862 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -115.46 100.7 8.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 75.140000000000001 110.851 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 16.6 p -152.71 174.79 13.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 74.25 110.88 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.37 -28.15 53.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 72.150000000000006 112.532 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 10' ' ' TYR . . . . . 0.592 ' HD1' HG23 ' C' ' 12' ' ' VAL . 25.7 p90 -174.71 147.77 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.871 0.367 . . . . 75.25 110.855 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -103.35 120.84 41.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 75.310000000000002 110.879 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.592 HG23 ' HD1' ' C' ' 10' ' ' TYR . 92.4 t -133.35 113.63 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 72.439999999999998 111.102 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -130.43 124.04 31.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 61.350000000000001 110.874 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -128.61 131.81 48.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 72.319999999999993 110.834 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.98 136.76 50.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 75.540000000000006 110.887 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -124.16 128.73 49.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 72.329999999999998 110.918 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.586 HD13 HD21 ' D' ' 17' ' ' LEU . 8.2 mt -135.69 106.26 6.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 71.099999999999994 110.943 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.705 ' CG2' HG12 ' B' ' 18' ' ' VAL . 26.2 m -117.69 120.77 65.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 72.140000000000001 111.159 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.402 ' CD1' ' N ' ' C' ' 19' ' ' PHE . 1.3 m-85 -112.74 141.1 46.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.319999999999993 110.865 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.534 ' HE1' HG22 ' C' ' 31' ' ' ILE . 17.6 m-85 59.44 27.91 17.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 73.200000000000003 110.855 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.94 138.19 31.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 64.030000000000001 111.16 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 57.47 72.84 0.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 60.43 110.869 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 p -139.42 143.86 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 74.239999999999995 111.136 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.0 -57.98 6.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.731 . . . . 75.439999999999998 112.499 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 35.6 m -160.47 140.03 10.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 74.450000000000003 110.855 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -108.2 108.16 19.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 73.5 110.882 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -114.5 163.93 14.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 64.150000000000006 110.945 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.62 -140.98 42.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 52.350000000000001 112.497 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.522 ' HB2' ' CD2' ' H' ' 4' ' ' PHE . . . -90.27 114.18 26.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.757 0.313 . . . . 71.409999999999997 111.126 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.534 HG22 ' HE1' ' C' ' 20' ' ' PHE . 0.3 OUTLIER -128.13 128.73 69.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 75.530000000000001 111.144 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.9 mt -130.53 122.09 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 74.030000000000001 111.134 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.75 -58.88 8.6 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.735 -0.745 . . . . 70.230000000000004 112.468 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.85 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -155.78 151.13 26.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 74.129999999999995 110.917 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -130.02 122.53 28.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 73.200000000000003 110.858 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.95 HG11 HG11 ' H' ' 36' ' ' VAL . 33.6 t -122.66 111.42 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 74.209999999999994 111.114 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.91 38.37 46.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 52.310000000000002 112.479 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.59 -167.01 14.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 61.310000000000002 112.5 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.922 HG23 HG13 ' B' ' 39' ' ' VAL . 11.9 p -159.37 147.72 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.804 0.335 . . . . 74.310000000000002 111.186 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.491 HG22 HG12 ' B' ' 40' ' ' VAL . 35.1 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 71.129999999999995 111.112 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.787 0.327 . . . . 72.430000000000007 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.31 76.26 1.01 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 32.340000000000003 111.119 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.94 -29.98 22.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 72.150000000000006 110.87 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 4' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' I' ' 30' ' ' ALA . 1.4 t80 -163.01 115.68 1.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 74.140000000000001 110.876 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -126.34 111.11 14.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 75.530000000000001 110.913 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -107.74 108.85 20.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 65.230000000000004 110.867 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -113.38 100.79 8.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 74.5 110.859 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 16.6 p -153.3 173.91 14.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 73.430000000000007 110.884 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.68 -27.82 49.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 45.009999999999998 112.51 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 10' ' ' TYR . . . . . 0.588 ' HD1' HG23 ' D' ' 12' ' ' VAL . 26.4 p90 -173.69 148.32 1.48 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.839 0.352 . . . . 72.430000000000007 110.961 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -103.98 121.79 43.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 74.549999999999997 110.917 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 12' ' ' VAL . . . . . 0.588 HG23 ' HD1' ' D' ' 10' ' ' TYR . 94.7 t -133.22 113.8 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 73.409999999999997 111.158 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -130.97 122.65 27.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 75.5 110.85 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -127.32 131.96 50.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 72.120000000000005 110.847 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.46 138.27 52.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 73.310000000000002 110.938 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -123.63 127.65 48.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 75.549999999999997 110.882 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.658 HD13 HD21 ' E' ' 17' ' ' LEU . 7.2 mt -139.23 106.85 5.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.040000000000006 110.901 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.675 ' CG2' HG12 ' C' ' 18' ' ' VAL . 19.5 m -117.94 121.59 67.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 75.439999999999998 111.158 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' D' ' 19' ' ' PHE . 1.1 m-85 -111.93 139.27 47.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 63.310000000000002 110.879 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.43 ' HE1' HG22 ' D' ' 31' ' ' ILE . 15.2 m-85 58.54 27.46 15.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 72.310000000000002 110.899 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.71 139.92 30.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.497 . . . . 64.109999999999999 111.104 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 55.7 73.64 0.42 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 61.130000000000003 110.818 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 p -140.18 143.36 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 42.020000000000003 111.115 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.94 -57.85 6.72 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.698 -0.763 . . . . 43.549999999999997 112.486 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 36.2 m -160.28 139.63 10.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.357 . . . . 73.400000000000006 110.877 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -107.75 107.7 18.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 74.049999999999997 110.868 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -114.85 164.48 14.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 74.239999999999995 110.886 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.93 -141.69 42.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 44.409999999999997 112.461 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.471 ' HB2' ' CD2' ' I' ' 4' ' ' PHE . . . -91.25 114.18 26.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.728 0.299 . . . . 61.509999999999998 111.114 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.453 HG23 ' HB ' ' C' ' 31' ' ' ILE . 0.4 OUTLIER -129.05 129.31 67.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 65.239999999999995 111.139 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 mt -129.36 122.65 56.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 62.119999999999997 111.121 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.82 -61.11 6.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.721 -0.752 . . . . 73.239999999999995 112.512 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.857 ' O ' HD22 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -153.58 148.93 27.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 73.530000000000001 110.922 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -129.39 122.25 29.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 63.219999999999999 110.92 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.97 HG11 HG11 ' I' ' 36' ' ' VAL . 32.6 t -125.1 110.81 25.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.431 . . . . 74.209999999999994 111.104 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.65 37.98 51.75 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.704 -0.76 . . . . 73.530000000000001 112.454 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.47 -165.95 14.25 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 65.430000000000007 112.463 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.914 HG23 HG13 ' C' ' 39' ' ' VAL . 11.5 p -158.98 148.17 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 73.25 111.161 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.454 HG22 HG12 ' C' ' 40' ' ' VAL . 35.1 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 63.109999999999999 111.139 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.808 0.337 . . . . 73.019999999999996 110.889 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.15 76.36 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 53.25 111.087 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.72 -30.27 21.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 72.140000000000001 110.9 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 4' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' J' ' 30' ' ' ALA . 1.4 t80 -162.99 116.65 1.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 74.519999999999996 110.89 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -125.97 110.73 13.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 71.530000000000001 110.894 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -107.09 108.98 20.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 52.399999999999999 110.889 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -111.06 100.62 9.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 63.219999999999999 110.872 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 16.7 p -155.88 169.1 25.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 62.229999999999997 110.811 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.51 -27.98 56.25 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.696 -0.764 . . . . 74.549999999999997 112.513 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 10' ' ' TYR . . . . . 0.576 ' HD1' HG23 ' E' ' 12' ' ' VAL . 29.3 p90 -172.37 146.79 1.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.864 0.364 . . . . 73.129999999999995 110.908 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -104.31 122.38 45.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 35.399999999999999 110.883 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 12' ' ' VAL . . . . . 0.576 HG23 ' HD1' ' E' ' 10' ' ' TYR . 94.2 t -130.87 113.94 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 75.329999999999998 111.13 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -130.18 121.58 26.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 74.310000000000002 110.825 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -127.67 130.76 49.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 73.25 110.897 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.79 140.47 52.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 73.239999999999995 110.949 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -123.62 124.4 42.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 73.420000000000002 110.86 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.658 HD21 HD13 ' D' ' 17' ' ' LEU . 6.9 mt -141.19 105.22 4.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 65.409999999999997 110.905 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.635 ' CG2' HG12 ' D' ' 18' ' ' VAL . 15.6 m -113.92 125.31 71.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 62.409999999999997 111.139 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' E' ' 19' ' ' PHE . 1.0 OUTLIER -112.0 140.38 46.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 74.209999999999994 110.894 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 53.12 27.62 6.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 74.299999999999997 110.853 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.87 140.82 29.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 71.150000000000006 111.069 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 55.23 75.42 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 71.430000000000007 110.875 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 p -141.28 142.7 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 42.119999999999997 111.114 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.18 -57.54 6.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 70.239999999999995 112.481 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 35.8 m -159.45 138.97 11.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 62.140000000000001 110.839 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -107.02 105.12 14.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 73.540000000000006 110.897 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -115.01 163.3 15.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 53.549999999999997 110.875 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.63 -142.11 45.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.691 -0.766 . . . . 72.420000000000002 112.51 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.43 ' HB2' ' CD2' ' J' ' 4' ' ' PHE . . . -91.57 114.39 26.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.775 0.321 . . . . 65.5 111.084 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -128.07 130.39 69.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 74.209999999999994 111.115 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 12.5 mt -128.6 120.45 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.099999999999994 111.147 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 33' ' ' GLY . . . . . 0.511 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -51.75 -58.41 10.37 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 53.310000000000002 112.464 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.798 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -153.64 151.58 29.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.8 0.333 . . . . 72.109999999999999 110.897 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.2 mtp -132.22 120.47 22.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 73.430000000000007 110.932 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.793 HG11 HG11 ' J' ' 36' ' ' VAL . 28.5 t -128.64 109.94 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 74.530000000000001 111.111 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.15 38.14 39.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 64.219999999999999 112.503 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.97 -165.04 13.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 54.420000000000002 112.465 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.826 HG23 HG13 ' D' ' 39' ' ' VAL . 10.8 p -158.33 147.86 8.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 73.120000000000005 111.128 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.424 HG22 ' HA ' ' D' ' 40' ' ' VAL . 35.3 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 71.120000000000005 111.155 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.843 0.354 . . . . 75.140000000000001 110.835 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.42 75.6 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 44.340000000000003 111.108 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.87 -30.89 25.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.400000000000006 110.898 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 4' ' ' PHE . . . . . 0.739 ' CD2' ' HB2' ' A' ' 30' ' ' ALA . 1.4 t80 -163.88 115.39 1.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 73.099999999999994 110.924 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 -126.77 109.91 12.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 74.219999999999999 110.861 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -108.6 108.23 19.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 74.040000000000006 110.842 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -114.8 102.03 9.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 73.129999999999995 110.877 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 17.2 p -150.21 175.24 11.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 73.439999999999998 110.888 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.96 -28.16 54.92 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.74 -0.743 . . . . 74.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 10' ' ' TYR . . . . . 0.453 ' HD1' HG23 ' F' ' 12' ' ' VAL . 29.6 p90 -174.0 148.74 1.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 64.239999999999995 110.924 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -107.67 119.2 38.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 61.340000000000003 110.833 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 0.453 HG23 ' HD1' ' F' ' 10' ' ' TYR . 98.1 t -134.56 113.95 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 62.450000000000003 111.145 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -128.87 121.85 29.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 63.409999999999997 110.871 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -129.03 125.92 38.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 73.209999999999994 110.847 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.15 135.82 51.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 72.310000000000002 110.84 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 16' ' ' LYS . . . . . 0.414 ' HD3' HG13 ' F' ' 18' ' ' VAL . 4.5 tttp -127.52 128.15 45.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 73.109999999999999 110.907 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.41 HD13 HD21 ' G' ' 17' ' ' LEU . 7.8 mt -125.8 108.12 11.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 53.43 110.94 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.725 HG12 ' CG2' ' G' ' 18' ' ' VAL . 29.0 m -115.18 119.43 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 55.340000000000003 111.139 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.42 ' HD2' HD12 ' G' ' 34' ' ' LEU . 5.4 m-85 -111.78 142.96 43.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 60.130000000000003 110.853 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 20' ' ' PHE . . . . . 0.567 ' HE1' HG22 ' F' ' 31' ' ' ILE . 16.0 m-85 60.86 30.05 19.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 72.049999999999997 110.919 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.66 136.29 33.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 64.310000000000002 111.098 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 61.11 73.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 72.430000000000007 110.893 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 6.8 p -140.91 145.53 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 73.430000000000007 111.127 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.87 -58.98 5.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 50.109999999999999 112.498 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 35.5 m -159.95 141.47 12.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.938 0.399 . . . . 74.25 110.852 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -107.46 107.14 17.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 61.399999999999999 110.87 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -114.58 163.38 15.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 71.439999999999998 110.906 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.71 -140.27 38.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 71.219999999999999 112.494 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.742 ' HB2' ' CD2' ' A' ' 4' ' ' PHE . . . -88.83 114.17 25.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 62.420000000000002 111.102 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.567 HG22 ' HE1' ' F' ' 20' ' ' PHE . 0.4 OUTLIER -129.58 131.57 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 74.129999999999995 111.132 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 17.5 mt -135.39 122.73 36.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.349999999999994 111.13 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.75 -59.36 7.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 55.240000000000002 112.479 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.808 HD22 ' O ' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -160.13 153.0 21.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.789 0.328 . . . . 73.310000000000002 110.959 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' F' F ' 35' ' ' MET . . . . . 0.414 ' CE ' HG13 ' F' ' 40' ' ' VAL . 2.7 mtp -133.86 127.61 32.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.209999999999994 110.856 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.725 HG11 HG11 ' A' ' 36' ' ' VAL . 32.6 t -121.76 114.82 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 75.030000000000001 111.131 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.08 36.02 72.33 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 60.409999999999997 112.518 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.21 -167.29 14.01 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.793 -0.718 . . . . 14.23 112.486 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.916 HG13 HG23 ' G' ' 39' ' ' VAL . 15.0 p -161.68 149.43 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.887 0.375 . . . . 74.340000000000003 111.106 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.518 HG12 HG22 ' G' ' 40' ' ' VAL . 35.8 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 65.049999999999997 111.126 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.811 0.338 . . . . 72.109999999999999 110.857 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' G' G ' 2' ' ' ALA . . . . . 0.429 ' HA ' ' HB3' ' H' ' 2' ' ' ALA . . . -115.58 76.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 72.239999999999995 111.054 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.61 -30.76 14.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 74.230000000000004 110.904 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 4' ' ' PHE . . . . . 0.622 ' CD2' ' HB2' ' B' ' 30' ' ' ALA . 1.4 t80 -162.95 115.69 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 75.340000000000003 110.884 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 -125.52 111.35 14.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 72.310000000000002 110.857 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -108.13 109.33 20.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 73.25 110.834 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -115.58 100.99 8.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 52.210000000000001 110.93 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 17.0 p -151.61 174.94 12.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 61.520000000000003 110.901 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.44 -29.02 54.31 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 70.129999999999995 112.47 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 10' ' ' TYR . . . . . 0.582 ' HD1' HG23 ' G' ' 12' ' ' VAL . 27.8 p90 -174.31 147.52 1.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.832 0.349 . . . . 61.350000000000001 110.964 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -103.98 119.8 39.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 63.119999999999997 110.913 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 12' ' ' VAL . . . . . 0.582 HG23 ' HD1' ' G' ' 10' ' ' TYR . 88.1 t -133.76 113.41 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 63.450000000000003 111.138 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -129.57 123.79 32.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 75.340000000000003 110.872 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -128.85 129.75 45.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 64.140000000000001 110.856 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.06 135.1 49.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 61.130000000000003 110.908 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -125.05 129.03 49.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 72.310000000000002 110.899 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.457 HD13 HD21 ' H' ' 17' ' ' LEU . 7.9 mt -132.03 107.28 8.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 73.299999999999997 110.874 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.725 ' CG2' HG12 ' F' ' 18' ' ' VAL . 29.7 m -116.81 119.83 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 74.099999999999994 111.17 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -112.35 141.59 45.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 74.439999999999998 110.851 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 0.565 ' HE1' HG22 ' G' ' 31' ' ' ILE . 17.9 m-85 60.53 28.42 18.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 74.200000000000003 110.901 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.18 135.86 33.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 70.450000000000003 111.164 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 60.91 73.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 73.040000000000006 110.882 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 p -140.61 144.63 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 34.409999999999997 111.121 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.41 -58.45 5.98 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 44.32 112.516 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 35.2 m -159.31 140.38 12.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.389 . . . . 72.010000000000005 110.84 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -108.11 107.11 17.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 71.340000000000003 110.922 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -114.08 164.13 14.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 63.140000000000001 110.914 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.72 -141.37 39.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.692 -0.766 . . . . 73.530000000000001 112.499 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.667 ' HB2' ' CD2' ' B' ' 4' ' ' PHE . . . -89.16 114.09 25.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.726 0.298 . . . . 71.049999999999997 111.112 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.565 HG22 ' HE1' ' G' ' 20' ' ' PHE . 0.3 OUTLIER -127.81 129.43 69.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 74.099999999999994 111.138 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 12.9 mt -132.41 122.44 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 70.239999999999995 111.115 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.85 -58.71 8.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 54.310000000000002 112.452 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.843 ' O ' HD22 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -156.53 153.96 29.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.79 0.328 . . . . 73.510000000000005 110.88 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 2.5 mtp -132.94 123.01 25.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 73.200000000000003 110.927 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.881 HG11 HG11 ' B' ' 36' ' ' VAL . 26.1 t -121.61 112.19 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 70.340000000000003 111.119 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 54.01 37.23 57.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 62.350000000000001 112.53 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.99 -167.28 14.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 64.120000000000005 112.481 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.916 HG23 HG13 ' F' ' 39' ' ' VAL . 12.9 p -160.69 148.58 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.884 0.373 . . . . 54.420000000000002 111.155 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.518 HG22 HG12 ' F' ' 40' ' ' VAL . 34.9 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 62.450000000000003 111.166 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.88 0.371 . . . . 54.340000000000003 110.855 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' H' H ' 2' ' ' ALA . . . . . 0.429 ' HB3' ' HA ' ' G' ' 2' ' ' ALA . . . -115.5 75.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 71.230000000000004 111.084 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.33 -30.85 19.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 74.140000000000001 110.899 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 4' ' ' PHE . . . . . 0.522 ' CD2' ' HB2' ' C' ' 30' ' ' ALA . 1.4 t80 -162.92 115.85 1.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 72.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -125.64 111.4 14.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 72.129999999999995 110.83 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -107.91 108.78 20.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 75.319999999999993 110.853 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -114.69 100.51 8.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 75.409999999999997 110.901 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 16.9 p -152.63 174.55 13.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 62.140000000000001 110.827 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.44 -28.17 53.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.794 -0.717 . . . . 70.219999999999999 112.468 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 10' ' ' TYR . . . . . 0.578 ' HD1' HG23 ' H' ' 12' ' ' VAL . 25.7 p90 -174.69 147.74 1.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.86 0.362 . . . . 70.239999999999995 110.929 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -103.18 120.77 41.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 72.319999999999993 110.907 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 0.578 HG23 ' HD1' ' H' ' 10' ' ' TYR . 92.4 t -133.24 113.57 19.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 53.43 111.118 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -130.32 123.82 30.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 71.430000000000007 110.883 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -128.31 131.52 48.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 74.530000000000001 110.838 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.74 136.49 50.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 75.209999999999994 110.897 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -124.17 128.52 49.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 73.450000000000003 110.932 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.58 HD13 HD21 ' I' ' 17' ' ' LEU . 8.1 mt -135.73 106.32 6.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 74.010000000000005 110.923 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.701 ' CG2' HG12 ' G' ' 18' ' ' VAL . 25.9 m -117.74 120.98 66.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 75.140000000000001 111.083 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.425 ' N ' ' CD1' ' H' ' 19' ' ' PHE . 1.2 m-85 -112.8 141.11 46.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 60.200000000000003 110.88 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 20' ' ' PHE . . . . . 0.509 ' HE1' HG22 ' H' ' 31' ' ' ILE . 17.5 m-85 59.37 27.81 17.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 72.430000000000007 110.846 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.87 137.99 31.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 71.140000000000001 111.14 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 57.64 73.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 74.209999999999994 110.897 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 p -140.21 144.4 27.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 64.319999999999993 111.195 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.61 -58.13 6.09 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 65.420000000000002 112.514 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 35.3 m -159.82 139.82 11.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.9 0.381 . . . . 63.229999999999997 110.87 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -107.95 107.42 18.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 64.420000000000002 110.907 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -114.02 164.51 13.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 51.340000000000003 110.877 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.08 -142.14 39.3 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.748 -0.739 . . . . 44.32 112.446 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 30' ' ' ALA . . . . . 0.61 ' HB2' ' CD2' ' C' ' 4' ' ' PHE . . . -89.93 114.22 25.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 74.019999999999996 111.057 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.509 HG22 ' HE1' ' H' ' 20' ' ' PHE . 0.3 OUTLIER -127.92 129.43 69.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 72.430000000000007 111.14 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 12.2 mt -130.79 122.16 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 64.230000000000004 111.137 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.63 -59.07 8.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 54.0 112.499 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.855 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -155.38 150.98 27.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.744 0.307 . . . . 72.530000000000001 110.936 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -129.8 122.37 28.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 73.239999999999995 110.861 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.95 HG11 HG11 ' C' ' 36' ' ' VAL . 28.3 t -122.85 111.38 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 70.340000000000003 111.137 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.02 37.83 46.0 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.751 . . . . 73.120000000000005 112.505 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.33 -167.09 14.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 64.450000000000003 112.499 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.904 HG13 HG23 ' I' ' 39' ' ' VAL . 12.4 p -159.52 147.72 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.89 0.376 . . . . 71.299999999999997 111.157 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' H' H ' 40' ' ' VAL . . . . . 0.476 HG22 HG12 ' G' ' 40' ' ' VAL . 35.2 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 72.25 111.154 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.807 0.337 . . . . 73.329999999999998 110.871 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.11 75.57 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 62.130000000000003 111.123 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.79 -30.29 22.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 64.409999999999997 110.867 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 4' ' ' PHE . . . . . 0.471 ' CD2' ' HB2' ' D' ' 30' ' ' ALA . 1.4 t80 -163.12 115.8 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 74.450000000000003 110.866 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -126.73 111.35 14.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 73.129999999999995 110.918 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -108.0 108.56 19.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 74.010000000000005 110.849 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -112.51 100.93 9.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 60.039999999999999 110.886 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 16.7 p -153.52 173.69 15.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 64.340000000000003 110.852 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.88 -27.7 49.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.753 . . . . 65.219999999999999 112.493 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 10' ' ' TYR . . . . . 0.561 ' HD1' HG23 ' I' ' 12' ' ' VAL . 26.7 p90 -173.75 148.17 1.45 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.866 0.365 . . . . 75.209999999999994 110.932 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -103.94 121.93 44.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 74.319999999999993 110.885 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 12' ' ' VAL . . . . . 0.561 HG23 ' HD1' ' I' ' 10' ' ' TYR . 94.8 t -133.29 113.69 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 45.219999999999999 111.074 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -130.73 122.51 27.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 72.140000000000001 110.895 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -126.93 131.92 50.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 64.129999999999995 110.902 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.35 138.06 52.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 55.340000000000003 110.892 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -123.73 127.47 48.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 65.010000000000005 110.85 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.661 HD13 HD21 ' J' ' 17' ' ' LEU . 7.3 mt -139.28 106.91 5.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 75.200000000000003 110.881 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 18' ' ' VAL . . . . . 0.686 ' CG2' HG12 ' H' ' 18' ' ' VAL . 20.0 m -118.05 121.65 67.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 70.530000000000001 111.151 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 19' ' ' PHE . . . . . 0.433 ' N ' ' CD1' ' I' ' 19' ' ' PHE . 1.1 m-85 -111.95 139.24 47.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 64.510000000000005 110.885 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 20' ' ' PHE . . . . . 0.414 ' HE1' HG22 ' I' ' 31' ' ' ILE . 15.4 m-85 58.54 27.95 16.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 75.510000000000005 110.931 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.93 139.94 30.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 73.25 111.103 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 55.38 73.82 0.4 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 74.230000000000004 110.819 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 p -139.75 143.09 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 72.230000000000004 111.144 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.7 -58.47 6.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.775 -0.726 . . . . 44.310000000000002 112.504 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 36.4 m -159.5 138.6 11.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 72.340000000000003 110.833 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -107.1 106.78 17.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 63.020000000000003 110.872 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -114.32 165.25 12.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 75.540000000000006 110.852 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.57 -142.86 39.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.739 . . . . 64.329999999999998 112.473 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.574 ' HB2' ' CD2' ' D' ' 4' ' ' PHE . . . -90.91 113.94 26.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.794 0.331 . . . . 70.019999999999996 111.102 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.444 HG23 ' HB ' ' H' ' 31' ' ' ILE . 0.4 OUTLIER -128.36 130.53 69.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 64.030000000000001 111.109 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 12.2 mt -129.94 122.48 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 72.549999999999997 111.112 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.83 -61.29 6.2 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 64.239999999999995 112.507 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.854 ' O ' HD22 ' I' ' 34' ' ' LEU . 0.0 OUTLIER -153.37 148.55 26.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.34 . . . . 71.340000000000003 110.913 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -129.13 122.3 29.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 75.219999999999999 110.885 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.97 HG11 HG11 ' D' ' 36' ' ' VAL . 31.4 t -125.28 110.67 25.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 45.450000000000003 111.111 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.71 37.88 52.11 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.742 -0.742 . . . . 64.200000000000003 112.49 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.39 -166.08 14.34 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.752 -0.737 . . . . 65.219999999999999 112.455 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 0.904 HG23 HG13 ' H' ' 39' ' ' VAL . 11.9 p -159.2 148.22 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.351 . . . . 64.549999999999997 111.14 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' I' I ' 40' ' ' VAL . . . . . 0.423 ' HA ' HG22 ' J' ' 40' ' ' VAL . 35.2 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 73.040000000000006 111.122 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.796 0.331 . . . . 62.25 110.901 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.52 76.11 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 62.229999999999997 111.054 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.6 -30.52 21.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 54.119999999999997 110.863 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 4' ' ' PHE . . . . . 0.43 ' CD2' ' HB2' ' E' ' 30' ' ' ALA . 1.4 t80 -162.86 115.97 1.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 73.400000000000006 110.857 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -126.24 110.78 13.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 73.019999999999996 110.836 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -106.87 108.87 20.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 73.040000000000006 110.835 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -110.6 100.64 9.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 73.099999999999994 110.873 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 16.2 p -155.87 168.74 26.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 62.25 110.844 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.87 -28.37 56.87 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.778 -0.725 . . . . 72.420000000000002 112.475 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 10' ' ' TYR . . . . . 0.576 ' HD1' HG23 ' J' ' 12' ' ' VAL . 28.4 p90 -172.47 146.81 1.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.869 0.366 . . . . 71.450000000000003 110.927 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -103.72 122.38 44.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 72.299999999999997 110.874 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 0.576 HG23 ' HD1' ' J' ' 10' ' ' TYR . 93.1 t -131.14 113.75 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 72.400000000000006 111.149 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -130.27 121.17 25.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 72.439999999999998 110.894 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -127.14 130.55 50.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 74.329999999999998 110.833 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.62 140.37 52.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 74.409999999999997 110.91 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -123.68 124.51 42.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 71.200000000000003 110.88 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.661 HD21 HD13 ' I' ' 17' ' ' LEU . 6.9 mt -141.15 105.17 4.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.420000000000002 110.922 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.639 ' CG2' HG12 ' I' ' 18' ' ' VAL . 15.8 m -113.77 125.39 71.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 74.019999999999996 111.114 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.441 ' CD1' ' N ' ' J' ' 19' ' ' PHE . 1.0 OUTLIER -112.1 140.71 46.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 74.349999999999994 110.933 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 52.88 27.7 5.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 74.400000000000006 110.842 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.89 140.65 29.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 73.340000000000003 111.109 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 55.38 76.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 75.010000000000005 110.848 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 p -141.72 142.2 28.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 51.439999999999998 111.126 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.88 -57.38 7.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.721 -0.752 . . . . 63.210000000000001 112.481 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 36.4 m -159.34 137.59 10.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.866 0.365 . . . . 64.400000000000006 110.839 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -106.7 104.48 14.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 72.219999999999999 110.873 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -114.81 164.18 14.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 73.299999999999997 110.887 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.8 -143.84 44.8 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.72 -0.752 . . . . 54.32 112.497 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 0.553 ' HB2' ' CD2' ' E' ' 4' ' ' PHE . . . -91.33 113.83 26.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 62.439999999999998 111.108 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -127.87 131.73 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 72.420000000000002 111.139 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 13.3 mt -128.39 120.84 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 61.240000000000002 111.125 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 33' ' ' GLY . . . . . 0.513 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -51.72 -59.03 9.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 73.540000000000006 112.467 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.797 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -153.42 151.16 29.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 61.310000000000002 110.955 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' J' J ' 35' ' ' MET . . . . . 0.403 ' H ' HD22 ' I' ' 34' ' ' LEU . 3.2 mtp -132.01 120.53 22.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 52.5 110.867 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.793 HG11 HG11 ' E' ' 36' ' ' VAL . 25.5 t -128.66 109.95 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 74.510000000000005 111.158 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.4 37.79 40.65 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.766 -0.73 . . . . 54.310000000000002 112.512 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.97 -165.17 13.41 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 50.149999999999999 112.443 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.856 HG23 HG13 ' I' ' 39' ' ' VAL . 10.7 p -158.13 147.82 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.926 0.393 . . . . 74.019999999999996 111.138 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.423 HG22 ' HA ' ' I' ' 40' ' ' VAL . 34.9 m . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 62.109999999999999 111.151 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.846 0.355 . . . . 62.450000000000003 110.88 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.66 91.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 72.439999999999998 111.078 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -76.33 -25.81 55.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 62.310000000000002 110.905 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.526 ' CE1' ' HB2' ' F' ' 30' ' ' ALA . 0.4 OUTLIER -162.86 115.1 1.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 72.049999999999997 110.858 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -110.2 107.83 17.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 70.420000000000002 110.896 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -106.61 109.01 20.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 45.329999999999998 110.874 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -122.2 101.14 7.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 70.439999999999998 110.872 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.0 t -148.73 175.27 11.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 51.409999999999997 110.864 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.7 -12.13 33.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 73.140000000000001 112.497 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -171.64 119.06 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.892 0.377 . . . . 74.519999999999996 110.948 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -101.4 119.92 39.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 72.319999999999993 110.876 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.9 t -124.08 114.34 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 64.310000000000002 111.112 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -118.44 113.36 21.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 55.310000000000002 110.846 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -130.24 115.75 17.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 71.049999999999997 110.907 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.45 133.35 52.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 73.239999999999995 110.942 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -128.5 115.91 18.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 74.209999999999994 110.895 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.463 HD12 ' HE1' ' A' ' 19' ' ' PHE . 3.9 mm? -115.55 111.49 20.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 54.119999999999997 110.896 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.719 HG12 ' CG2' ' B' ' 18' ' ' VAL . 27.4 m -115.75 120.08 63.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 70.040000000000006 111.145 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.463 ' HE1' HD12 ' A' ' 17' ' ' LEU . 7.7 m-85 -103.48 111.56 24.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 74.129999999999995 110.854 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 57.17 77.59 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 70.040000000000006 110.877 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.01 125.08 50.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 73.099999999999994 111.084 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.4 83.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 64.25 110.905 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.689 ' CG1' HG23 ' B' ' 24' ' ' VAL . 4.3 p -123.83 141.44 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 75.0 111.151 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.02 -56.39 25.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 15.32 112.515 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.4 m -159.93 130.61 5.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 72.450000000000003 110.859 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.432 ' OD1' HG11 ' A' ' 24' ' ' VAL . 2.1 m120 -101.61 109.95 21.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 71.349999999999994 110.875 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.45 163.25 14.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 61.399999999999999 110.922 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' GLY . . . . . 0.419 ' H ' ' HB3' ' F' ' 3' ' ' GLU . . . 61.75 -140.67 47.22 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 32.130000000000003 112.45 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.12 113.26 20.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.751 0.31 . . . . 74.109999999999999 111.06 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.416 HG23 ' ND2' ' A' ' 27' ' ' ASN . 1.8 mm -98.85 107.76 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 73.450000000000003 111.133 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.2 mt -136.78 108.8 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 72.010000000000005 111.136 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.413 ' HA3' ' HB3' ' A' ' 19' ' ' PHE . . . -46.42 -51.01 12.66 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 51.130000000000003 112.516 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.811 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -158.8 155.62 28.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.783 0.325 . . . . 64.230000000000004 110.91 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -129.76 122.85 29.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 73.530000000000001 110.893 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.6 t -130.36 114.56 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 73.140000000000001 111.159 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.93 19.65 56.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 73.319999999999993 112.441 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.39 172.46 15.03 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.736 -0.745 . . . . 43.539999999999999 112.499 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.788 HG13 HG23 ' B' ' 39' ' ' VAL . 7.8 p -142.96 144.83 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.38 . . . . 51.530000000000001 111.115 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.413 ' HA ' HG22 ' B' ' 40' ' ' VAL . 35.1 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 65.129999999999995 111.171 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.849 0.357 . . . . 72.239999999999995 110.882 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.43 92.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 65.219999999999999 111.121 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -76.86 -21.78 54.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 75.200000000000003 110.886 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.53 ' CE1' ' HB2' ' G' ' 30' ' ' ALA . 0.4 OUTLIER -162.96 114.79 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 72.450000000000003 110.893 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -111.39 107.2 16.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 73.230000000000004 110.918 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -106.55 109.29 21.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 74.219999999999999 110.837 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -120.38 100.51 7.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 74.310000000000002 110.849 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 9.1 t -147.53 175.01 11.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 74.239999999999995 110.811 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.92 -11.94 33.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 52.119999999999997 112.524 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.13 119.11 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 63.109999999999999 110.907 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -101.3 120.18 39.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 65.109999999999999 110.914 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -124.19 115.08 43.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 73.109999999999999 111.175 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -118.74 113.53 21.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 74.430000000000007 110.818 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -128.97 116.96 20.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 65.420000000000002 110.859 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.45 133.12 51.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 72.439999999999998 110.876 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -127.86 116.79 20.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 61.32 110.937 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.528 HD12 ' HE1' ' B' ' 19' ' ' PHE . 3.5 mm? -119.07 110.92 17.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 70.349999999999994 110.935 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.733 HG12 ' CG2' ' C' ' 18' ' ' VAL . 26.9 m -117.01 120.8 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 73.329999999999998 111.086 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.528 ' HE1' HD12 ' B' ' 17' ' ' LEU . 4.0 m-30 -102.31 114.52 28.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 75.129999999999995 110.835 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 56.95 76.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 74.099999999999994 110.884 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.82 124.89 49.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 52.299999999999997 111.128 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.42 83.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 62.520000000000003 110.855 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.69 ' CG1' HG23 ' C' ' 24' ' ' VAL . 3.3 p -123.82 139.1 51.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 63.43 111.091 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.12 -55.59 29.37 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.754 . . . . 52.409999999999997 112.494 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 74.1 m -159.18 129.73 5.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.898 0.38 . . . . 73.329999999999998 110.865 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.406 ' ND2' HG23 ' B' ' 31' ' ' ILE . 2.0 m120 -101.92 108.94 20.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 74.430000000000007 110.9 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -110.98 162.97 14.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 73.099999999999994 110.913 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.09 -140.65 45.59 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.74 . . . . 64.420000000000002 112.454 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.43 113.35 20.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.737 0.303 . . . . 60.32 111.097 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.406 HG23 ' ND2' ' B' ' 27' ' ' ASN . 2.0 mm -100.35 108.02 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 73.239999999999995 111.125 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 mt -134.74 110.08 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 75.340000000000003 111.156 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.405 ' HA3' ' HB3' ' B' ' 19' ' ' PHE . . . -44.42 -52.42 7.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 70.0 112.478 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.809 ' N ' HD13 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -157.74 154.44 28.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.791 0.329 . . . . 53.100000000000001 110.942 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -125.99 121.09 32.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 70.400000000000006 110.864 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 94.4 t -132.52 114.99 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 73.430000000000007 111.125 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.77 21.08 42.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 61.520000000000003 112.479 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.81 172.82 15.54 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 33.210000000000001 112.481 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.788 HG23 HG13 ' A' ' 39' ' ' VAL . 7.1 p -142.67 143.63 25.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 73.010000000000005 111.132 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.413 HG22 ' HA ' ' A' ' 40' ' ' VAL . 34.4 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 62.409999999999997 111.098 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.856 0.36 . . . . 54.409999999999997 110.857 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.57 93.04 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.462 . . . . 54.25 111.133 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -75.29 -19.67 59.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 74.329999999999998 110.868 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 4' ' ' PHE . . . . . 0.539 ' CE1' ' HB2' ' H' ' 30' ' ' ALA . 0.4 OUTLIER -163.26 114.65 1.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 75.129999999999995 110.836 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -112.04 107.0 15.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 74.340000000000003 110.834 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -106.23 110.01 22.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 65.510000000000005 110.847 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -120.21 100.44 7.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 75.019999999999996 110.866 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 9.2 t -147.54 174.84 11.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 72.5 110.88 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.14 -11.99 32.68 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 73.140000000000001 112.477 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.38 119.08 0.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.861 0.362 . . . . 72.040000000000006 110.941 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -101.08 120.09 39.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 75.129999999999995 110.89 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 93.8 t -124.94 114.84 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 61.43 111.132 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -119.34 113.48 20.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 63.030000000000001 110.882 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -127.58 117.73 22.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 74.420000000000002 110.865 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.29 132.75 51.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 45.409999999999997 110.905 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -126.32 115.87 20.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 70.25 110.901 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.426 HD12 ' HE1' ' C' ' 19' ' ' PHE . 3.8 mm? -119.86 111.06 17.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.426 . . . . 63.240000000000002 110.932 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.733 ' CG2' HG12 ' B' ' 18' ' ' VAL . 29.5 m -118.24 121.3 66.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 72.019999999999996 111.098 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.426 ' HE1' HD12 ' C' ' 17' ' ' LEU . 2.9 m-30 -101.91 113.94 27.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 72.319999999999993 110.871 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 11.1 m-30 56.68 75.93 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 75.439999999999998 110.924 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.93 124.43 48.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 61.109999999999999 111.094 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.87 83.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 75.329999999999998 110.928 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.69 HG23 ' CG1' ' B' ' 24' ' ' VAL . 3.2 p -122.66 138.86 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 71.109999999999999 111.091 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.04 -55.98 27.24 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.763 -0.732 . . . . 63.509999999999998 112.448 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 73.9 m -159.08 128.95 5.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 62.509999999999998 110.869 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.546 ' ND2' HG11 ' C' ' 24' ' ' VAL . 11.0 m-20 -102.65 109.14 20.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 65.219999999999999 110.889 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -110.56 162.81 14.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 73.519999999999996 110.911 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.9 -140.61 44.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 63.399999999999999 112.509 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.45 113.63 20.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.759 0.314 . . . . 63.140000000000001 111.084 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.8 mm -101.2 107.98 22.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 63.130000000000003 111.159 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.1 mt -133.44 111.0 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 75.209999999999994 111.154 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.403 ' HA3' ' HB3' ' C' ' 19' ' ' PHE . . . -44.5 -52.84 7.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.763 -0.732 . . . . 71.430000000000007 112.49 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.81 HD13 ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -156.34 154.06 29.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.33 . . . . 72.549999999999997 110.924 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -126.6 119.59 27.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 73.450000000000003 110.853 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 93.8 t -133.31 115.33 22.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 64.329999999999998 111.123 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.19 21.65 40.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 61.329999999999998 112.471 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.08 172.87 16.06 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 64.219999999999999 112.471 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.747 HG23 HG13 ' B' ' 39' ' ' VAL . 7.3 p -142.49 143.39 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.936 0.398 . . . . 64.329999999999998 111.137 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.453 ' HA ' HG22 ' D' ' 40' ' ' VAL . 34.9 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 60.149999999999999 111.11 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.83 0.348 . . . . 74.420000000000002 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.48 91.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 72.030000000000001 111.052 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -77.93 -17.94 56.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 73.010000000000005 110.893 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 4' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' I' ' 30' ' ' ALA . 0.5 OUTLIER -162.86 114.69 1.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 61.240000000000002 110.889 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -112.6 107.18 15.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 73.319999999999993 110.85 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -106.41 110.12 22.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 71.510000000000005 110.847 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -119.19 100.36 7.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 73.430000000000007 110.87 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 8.9 t -147.82 174.58 11.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 72.310000000000002 110.882 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.23 -12.28 31.75 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.742 . . . . 74.319999999999993 112.479 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -172.26 119.93 0.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.874 0.368 . . . . 74.209999999999994 110.936 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -101.65 120.18 39.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 72.219999999999999 110.89 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 88.7 t -124.22 114.92 43.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 74.329999999999998 111.138 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -118.98 113.43 20.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 75.540000000000006 110.872 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -127.19 116.95 21.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 73.019999999999996 110.85 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.39 132.79 51.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 71.420000000000002 110.909 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 16' ' ' LYS . . . . . 0.431 ' O ' HD22 ' D' ' 17' ' ' LEU . 2.8 tptm -125.77 115.88 20.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 75.230000000000004 110.911 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.448 ' CB ' HD13 ' E' ' 17' ' ' LEU . 3.8 mm? -121.32 110.69 16.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 73.340000000000003 110.901 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.705 ' CG2' HG12 ' C' ' 18' ' ' VAL . 26.8 m -118.32 122.58 69.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 43.219999999999999 111.131 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.422 ' N ' ' CD1' ' D' ' 19' ' ' PHE . 2.0 m-30 -101.97 113.61 26.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 64.120000000000005 110.91 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 56.04 76.07 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 75.349999999999994 110.88 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.96 124.53 48.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 75.299999999999997 111.148 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.9 83.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 65.310000000000002 110.871 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.686 ' CG1' HG23 ' E' ' 24' ' ' VAL . 3.4 p -122.56 138.14 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 73.109999999999999 111.139 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.53 -55.26 30.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 70.030000000000001 112.527 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 73.5 m -159.79 127.16 4.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 62.350000000000001 110.864 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.584 ' ND2' HG11 ' D' ' 24' ' ' VAL . 12.4 m-20 -102.61 110.31 22.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 73.319999999999993 110.882 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -111.08 162.54 14.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 74.530000000000001 110.905 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.01 -140.51 42.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 75.230000000000004 112.547 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.78 113.9 21.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.731 0.301 . . . . 71.030000000000001 111.106 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.406 HD12 ' HB3' ' D' ' 27' ' ' ASN . 1.7 mm -102.37 108.75 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 73.319999999999993 111.196 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 mt -132.68 112.99 19.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 62.130000000000003 111.129 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 33' ' ' GLY . . . . . 0.471 ' C ' HD13 ' D' ' 34' ' ' LEU . . . -44.92 -53.75 7.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 71.400000000000006 112.477 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.782 ' N ' HD13 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -154.89 152.95 30.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.827 0.346 . . . . 72.420000000000002 110.908 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 2.8 mtp -126.93 119.14 26.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 44.219999999999999 110.882 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 87.1 t -134.76 114.77 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 72.540000000000006 111.121 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.53 22.03 44.17 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.709 -0.758 . . . . 63.25 112.458 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.66 173.59 17.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 60.240000000000002 112.496 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.704 HG23 HG13 ' C' ' 39' ' ' VAL . 7.2 p -142.21 143.85 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.882 0.372 . . . . 60.450000000000003 111.132 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.453 HG22 ' HA ' ' C' ' 40' ' ' VAL . 34.9 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 71.340000000000003 111.162 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.846 0.355 . . . . 51.32 110.875 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.83 95.41 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 63.229999999999997 111.124 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -75.41 -20.2 59.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 71.420000000000002 110.852 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 4' ' ' PHE . . . . . 0.475 ' CD1' ' HB2' ' J' ' 30' ' ' ALA . 0.4 OUTLIER -161.47 116.77 2.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 70.540000000000006 110.886 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -110.02 107.73 17.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 74.420000000000002 110.88 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -106.0 111.96 24.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 72.420000000000002 110.882 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -118.99 100.81 7.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 70.150000000000006 110.866 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 9.1 t -148.99 173.54 13.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 72.030000000000001 110.862 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.25 -12.68 33.01 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 41.240000000000002 112.468 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.11 120.07 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 73.540000000000006 110.923 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -101.91 120.42 40.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 72.010000000000005 110.925 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 98.0 t -123.31 114.76 43.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 73.109999999999999 111.135 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -119.19 113.8 21.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 74.230000000000004 110.875 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -127.7 117.21 21.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 71.439999999999998 110.844 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.01 133.34 50.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 74.219999999999999 110.879 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 16' ' ' LYS . . . . . 0.444 ' O ' HD22 ' E' ' 17' ' ' LEU . 3.0 tptm -124.96 115.06 19.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 64.349999999999994 110.907 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.448 HD13 ' CB ' ' D' ' 17' ' ' LEU . 3.9 mm? -121.72 107.93 12.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 64.140000000000001 110.916 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.694 ' CG2' HG12 ' D' ' 18' ' ' VAL . 30.2 m -115.27 123.71 71.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 63.299999999999997 111.127 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' E' ' 19' ' ' PHE . 1.3 m-85 -102.12 111.06 23.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 73.329999999999998 110.878 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.436 ' CE2' HG22 ' E' ' 31' ' ' ILE . 13.0 m-30 57.99 75.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 74.329999999999998 110.86 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.5 125.12 49.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 74.239999999999995 111.066 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.94 83.42 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 75.329999999999998 110.858 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.686 HG23 ' CG1' ' D' ' 24' ' ' VAL . 3.4 p -122.48 137.34 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 52.409999999999997 111.158 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.76 -55.2 29.89 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 34.030000000000001 112.494 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 73.4 m -159.54 125.18 4.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 72.299999999999997 110.859 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.585 ' ND2' HG11 ' E' ' 24' ' ' VAL . 13.4 m-20 -102.18 112.54 25.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 64.120000000000005 110.89 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -112.53 164.08 13.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 72.109999999999999 110.928 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.86 -141.19 43.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 61.439999999999998 112.503 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.85 114.02 21.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.712 0.291 . . . . 62.100000000000001 111.142 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.441 HD12 ' HB3' ' E' ' 27' ' ' ASN . 1.8 mm -101.24 108.33 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 63.310000000000002 111.133 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 mt -129.38 112.88 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 52.229999999999997 111.136 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 33' ' ' GLY . . . . . 0.599 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -46.04 -51.29 11.29 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 61.399999999999999 112.468 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.738 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -154.91 154.42 32.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 64.400000000000006 110.899 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.404 ' H ' HD22 ' D' ' 34' ' ' LEU . 3.2 mtp -130.96 118.43 20.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 73.140000000000001 110.859 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 94.1 t -138.43 114.96 10.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 75.530000000000001 111.129 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.78 21.93 38.61 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 70.030000000000001 112.478 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.14 173.99 17.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 74.319999999999993 112.532 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.697 HG23 HG13 ' D' ' 39' ' ' VAL . 7.1 p -142.12 143.52 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 61.100000000000001 111.125 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.416 HG22 ' HA ' ' D' ' 40' ' ' VAL . 35.7 m . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 74.329999999999998 111.136 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.811 0.339 . . . . 71.140000000000001 110.863 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.59 92.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 64.340000000000003 111.128 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 3' ' ' GLU . . . . . 0.419 ' HB3' ' H ' ' A' ' 29' ' ' GLY . 25.4 mm-40 -76.26 -23.99 54.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 74.319999999999993 110.903 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.49 115.3 4.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 75.430000000000007 110.847 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -108.35 108.96 20.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 74.439999999999998 110.878 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -106.84 108.35 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 70.530000000000001 110.874 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -118.92 106.31 12.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 75.510000000000005 110.869 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 9.2 t -145.99 174.08 11.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 71.329999999999998 110.871 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.41 -13.52 32.73 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.716 -0.754 . . . . 60.439999999999998 112.493 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.46 119.92 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.853 0.359 . . . . 74.219999999999999 110.912 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -102.84 120.0 39.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 73.040000000000006 110.9 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 94.2 t -122.86 114.1 40.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 52.229999999999997 111.121 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -118.03 113.65 21.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 71.310000000000002 110.911 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -131.18 114.3 14.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 74.430000000000007 110.795 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.96 133.69 52.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 74.230000000000004 110.887 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -129.3 115.52 17.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 63.109999999999999 110.892 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.42 HD12 ' HE1' ' F' ' 19' ' ' PHE . 3.9 mm? -114.58 111.3 21.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 74.519999999999996 110.957 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.719 HG12 ' CG2' ' G' ' 18' ' ' VAL . 26.9 m -115.78 120.57 65.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 72.329999999999998 111.116 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.42 ' HE1' HD12 ' F' ' 17' ' ' LEU . 7.8 m-85 -102.8 112.56 25.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 73.230000000000004 110.86 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 56.84 75.56 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 75.540000000000006 110.823 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.64 126.08 51.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 71.099999999999994 111.1 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.53 82.13 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 74.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.674 ' CG1' HG23 ' G' ' 24' ' ' VAL . 5.0 p -122.82 140.57 46.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 73.120000000000005 111.109 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.4 -55.81 27.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.791 -0.718 . . . . 74.439999999999998 112.455 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 75.6 m -161.73 129.43 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 72.109999999999999 110.836 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 27' ' ' ASN . . . . . 0.437 ' OD1' HG11 ' F' ' 24' ' ' VAL . 1.9 m120 -100.39 107.35 19.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 74.299999999999997 110.882 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.69 162.15 16.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 74.319999999999993 110.878 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.83 -140.11 43.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.751 . . . . 32.549999999999997 112.478 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.526 ' HB2' ' CE1' ' A' ' 4' ' ' PHE . . . -83.22 113.69 20.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.768 0.318 . . . . 54.100000000000001 111.099 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.428 HG23 ' ND2' ' F' ' 27' ' ' ASN . 2.3 mm -101.62 111.82 32.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 61.100000000000001 111.153 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 13.2 mt -138.71 108.68 4.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 73.430000000000007 111.144 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.27 -52.17 10.81 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 70.099999999999994 112.467 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.797 HD13 ' N ' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -160.4 156.31 25.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.762 0.315 . . . . 62.399999999999999 110.913 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.8 mtp -130.38 122.65 28.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 54.509999999999998 110.897 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 94.4 t -130.49 116.12 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 71.109999999999999 111.146 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.21 19.67 52.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 71.219999999999999 112.485 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.91 173.14 15.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.747 . . . . 74.109999999999999 112.488 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.779 HG13 HG23 ' G' ' 39' ' ' VAL . 7.8 p -142.97 145.35 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 55.140000000000001 111.144 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.414 ' HA ' HG22 ' G' ' 40' ' ' VAL . 34.9 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 75.329999999999998 111.128 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.802 0.334 . . . . 63.549999999999997 110.9 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.96 93.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 41.030000000000001 111.094 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 3' ' ' GLU . . . . . 0.428 ' HG2' ' HA ' ' H' ' 3' ' ' GLU . 28.2 mm-40 -73.94 -23.7 59.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 75.030000000000001 110.91 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.77 115.21 4.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 71.400000000000006 110.866 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -107.54 109.11 20.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 74.439999999999998 110.88 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -105.39 108.85 20.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 72.540000000000006 110.868 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -117.9 105.01 11.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 73.439999999999998 110.893 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 9.0 t -145.92 173.89 11.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 50.32 110.861 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.08 -13.2 32.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 45.229999999999997 112.488 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.6 119.28 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 75.430000000000007 110.895 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -101.47 119.62 39.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 64.140000000000001 110.921 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 90.5 t -122.7 114.32 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 73.049999999999997 111.142 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -118.24 113.84 22.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 74.109999999999999 110.878 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -130.06 115.89 17.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 73.319999999999993 110.838 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.5 132.79 51.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 71.239999999999995 110.957 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -127.64 116.27 20.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 63.219999999999999 110.93 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.518 HD12 ' HE1' ' G' ' 19' ' ' PHE . 3.4 mm? -117.67 111.52 19.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 41.530000000000001 110.927 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.728 HG12 ' CG2' ' H' ' 18' ' ' VAL . 33.8 m -117.7 121.47 67.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 70.200000000000003 111.132 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.518 ' HE1' HD12 ' G' ' 17' ' ' LEU . 4.0 m-30 -102.13 114.17 28.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 62.200000000000003 110.839 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 11.1 m-30 57.16 75.49 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 71.239999999999995 110.874 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.88 126.21 50.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 62.420000000000002 111.118 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.49 82.11 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 64.129999999999995 110.854 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.684 ' CG1' HG23 ' H' ' 24' ' ' VAL . 3.1 p -123.1 138.63 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 64.200000000000003 111.138 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.99 -54.9 33.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.748 . . . . 62.119999999999997 112.491 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 75.4 m -161.63 128.71 3.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.909 0.385 . . . . 70.340000000000003 110.845 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 27' ' ' ASN . . . . . 0.41 ' OD1' HG11 ' G' ' 24' ' ' VAL . 2.0 m120 -100.78 106.96 18.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 72.400000000000006 110.901 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -111.34 161.14 16.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 72.439999999999998 110.925 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.24 -140.78 42.01 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.757 -0.735 . . . . 73.439999999999998 112.517 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.53 ' HB2' ' CE1' ' B' ' 4' ' ' PHE . . . -83.28 114.02 21.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.731 0.301 . . . . 64.540000000000006 111.082 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.403 HG23 ' ND2' ' G' ' 27' ' ' ASN . 2.3 mm -102.88 112.56 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 61.439999999999998 111.105 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 11.1 mt -136.43 110.22 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 74.120000000000005 111.134 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.04 -53.35 9.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.684 -0.77 . . . . 63.520000000000003 112.48 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.811 ' N ' HD13 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -158.05 154.89 28.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.785 0.326 . . . . 70.420000000000002 110.902 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -127.5 120.95 29.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 63.549999999999997 110.894 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 92.3 t -132.41 115.6 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 71.409999999999997 111.175 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.16 20.47 43.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 73.510000000000005 112.551 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.73 172.77 15.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 63.100000000000001 112.505 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.779 HG23 HG13 ' F' ' 39' ' ' VAL . 7.2 p -142.63 144.5 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.362 . . . . 61.210000000000001 111.119 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.423 ' HA ' HG22 ' H' ' 40' ' ' VAL . 35.3 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 72.349999999999994 111.121 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.814 0.34 . . . . 73.109999999999999 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.45 94.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 73.400000000000006 111.081 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 3' ' ' GLU . . . . . 0.428 ' HA ' ' HG2' ' G' ' 3' ' ' GLU . 31.2 mm-40 -75.87 -22.99 55.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 53.439999999999998 110.839 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.28 115.71 5.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 61.530000000000001 110.928 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -107.53 109.14 20.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 70.239999999999995 110.903 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -105.0 109.13 21.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 61.340000000000003 110.867 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -117.33 103.88 10.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 65.140000000000001 110.848 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 9.0 t -145.62 173.77 11.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 62.240000000000002 110.868 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.58 -12.92 31.57 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 62.5 112.501 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.44 119.88 0.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 70.409999999999997 110.918 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -101.29 119.99 39.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 55.310000000000002 110.898 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 92.2 t -123.51 114.33 41.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 61.130000000000003 111.131 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -119.12 113.45 20.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 74.019999999999996 110.879 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -128.9 116.11 18.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 74.129999999999995 110.845 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.42 132.57 51.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 74.230000000000004 110.923 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -126.3 116.6 21.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 64.439999999999998 110.937 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.418 HD13 ' CB ' ' G' ' 17' ' ' LEU . 3.8 mm? -119.56 111.48 18.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 74.439999999999998 110.932 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.728 ' CG2' HG12 ' G' ' 18' ' ' VAL . 33.0 m -118.76 121.82 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 71.400000000000006 111.132 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.415 ' CD2' HD12 ' I' ' 34' ' ' LEU . 3.0 m-30 -101.76 113.4 26.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 75.019999999999996 110.867 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 11.3 m-30 56.56 74.85 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 70.349999999999994 110.893 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.99 125.89 49.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 70.150000000000006 111.131 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.92 82.34 0.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 44.240000000000002 110.92 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 24' ' ' VAL . . . . . 0.684 HG23 ' CG1' ' G' ' 24' ' ' VAL . 3.1 p -122.67 138.56 52.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 73.200000000000003 111.15 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.2 -55.58 29.62 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.749 -0.739 . . . . 41.399999999999999 112.482 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 74.5 m -161.8 127.29 3.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.915 0.388 . . . . 54.140000000000001 110.867 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 27' ' ' ASN . . . . . 0.434 ' OD1' HG11 ' H' ' 24' ' ' VAL . 1.8 m120 -100.49 107.56 19.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 72.319999999999993 110.856 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -111.31 161.14 16.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 64.230000000000004 110.913 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.87 -141.41 41.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.723 -0.751 . . . . 63.32 112.539 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 30' ' ' ALA . . . . . 0.539 ' HB2' ' CE1' ' C' ' 4' ' ' PHE . . . -82.87 113.97 20.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.735 0.302 . . . . 54.420000000000002 111.099 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 2.4 mm -103.46 113.21 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 55.439999999999998 111.136 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 9.5 mt -135.21 110.96 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 72.400000000000006 111.107 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 33' ' ' GLY . . . . . 0.402 ' C ' HD13 ' H' ' 34' ' ' LEU . . . -46.25 -54.06 8.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 71.109999999999999 112.498 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.801 HD13 ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -156.34 153.89 29.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.783 0.325 . . . . 63.219999999999999 110.939 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -127.05 119.5 26.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 75.239999999999995 110.852 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 93.4 t -133.27 115.6 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 73.310000000000002 111.15 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.35 21.36 40.34 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 72.099999999999994 112.499 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.52 173.3 16.16 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 70.299999999999997 112.452 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.736 HG23 HG13 ' G' ' 39' ' ' VAL . 7.5 p -142.91 144.11 24.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.852 0.358 . . . . 73.129999999999995 111.14 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' H' H ' 40' ' ' VAL . . . . . 0.463 ' HA ' HG22 ' I' ' 40' ' ' VAL . 35.1 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 71.239999999999995 111.135 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.803 0.335 . . . . 72.299999999999997 110.867 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.39 93.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 61.409999999999997 111.134 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -77.15 -20.15 55.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 74.099999999999994 110.949 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -150.93 116.31 5.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 63.229999999999997 110.938 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -107.19 108.91 20.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 73.439999999999998 110.872 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -105.68 108.98 20.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 74.420000000000002 110.891 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -117.25 104.5 11.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 70.349999999999994 110.893 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 8.9 t -146.35 173.51 12.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 71.319999999999993 110.885 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.48 -13.36 30.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 72.299999999999997 112.499 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -172.48 119.79 0.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 75.109999999999999 110.926 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -100.58 119.98 39.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 72.409999999999997 110.869 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 90.3 t -123.44 114.21 40.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 73.540000000000006 111.142 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -119.1 113.51 21.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 74.219999999999999 110.895 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -128.88 116.12 18.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 75.219999999999999 110.831 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.74 132.75 51.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 74.439999999999998 110.949 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 16' ' ' LYS . . . . . 0.436 ' HD2' HG13 ' I' ' 18' ' ' VAL . 2.7 tptm -125.08 116.4 22.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.239999999999995 110.914 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.448 ' CB ' HD13 ' J' ' 17' ' ' LEU . 3.8 mm? -120.78 110.83 16.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.276 -0.42 . . . . 55.020000000000003 110.937 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 18' ' ' VAL . . . . . 0.702 ' CG2' HG12 ' H' ' 18' ' ' VAL . 28.8 m -118.4 122.9 70.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 72.140000000000001 111.167 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 19' ' ' PHE . . . . . 0.415 ' N ' ' CD1' ' I' ' 19' ' ' PHE . 2.2 m-30 -101.88 112.38 24.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 65.519999999999996 110.879 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 12.0 m-30 56.45 74.07 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 70.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.02 126.1 50.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 63.399999999999999 111.084 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.37 81.2 0.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 74.010000000000005 110.904 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.681 HG23 ' CG1' ' H' ' 24' ' ' VAL . 2.8 p -121.85 138.21 52.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 65.239999999999995 111.079 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.55 -55.65 29.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 73.239999999999995 112.457 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 74.4 m -161.82 125.47 3.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.371 . . . . 65.129999999999995 110.828 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 27' ' ' ASN . . . . . 0.607 ' ND2' HG11 ' I' ' 24' ' ' VAL . 11.1 m-20 -100.65 107.24 18.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 72.310000000000002 110.89 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -111.87 161.54 16.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 74.140000000000001 110.883 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.41 -140.83 37.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.796 -0.716 . . . . 63.240000000000002 112.49 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.573 ' HB2' ' CE1' ' D' ' 4' ' ' PHE . . . -83.08 113.68 20.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.747 0.308 . . . . 61.450000000000003 111.126 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 2.3 mm -104.89 113.22 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 74.329999999999998 111.128 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 8.2 mt -133.99 112.3 16.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 62.399999999999999 111.105 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 33' ' ' GLY . . . . . 0.485 ' C ' HD13 ' I' ' 34' ' ' LEU . . . -46.39 -55.16 8.05 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 51.439999999999998 112.489 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.782 ' N ' HD13 ' I' ' 34' ' ' LEU . 0.0 OUTLIER -155.36 152.97 29.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 63.539999999999999 110.936 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.8 mtp -127.44 118.91 24.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 53.310000000000002 110.917 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 88.2 t -134.24 114.74 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 73.340000000000003 111.147 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.25 22.27 43.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 70.019999999999996 112.524 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.24 173.84 16.89 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.741 . . . . 44.240000000000002 112.455 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 0.705 HG23 HG13 ' H' ' 39' ' ' VAL . 7.4 p -142.51 143.89 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 72.120000000000005 111.125 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' I' I ' 40' ' ' VAL . . . . . 0.463 HG22 ' HA ' ' H' ' 40' ' ' VAL . 34.7 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 65.230000000000004 111.165 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.834 0.349 . . . . 74.319999999999993 110.877 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.44 94.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 70.129999999999995 111.125 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -73.34 -21.36 60.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 73.25 110.848 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.97 116.68 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 71.340000000000003 110.867 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -107.23 108.93 20.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 73.129999999999995 110.903 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -104.78 110.2 22.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 74.209999999999994 110.898 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -117.17 103.3 10.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 53.439999999999998 110.873 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 8.8 t -146.39 172.4 13.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 75.120000000000005 110.901 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.06 -13.4 33.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 54.509999999999998 112.494 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.35 119.8 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.795 0.331 . . . . 54.549999999999997 110.972 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -99.8 120.01 39.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 63.009999999999998 110.887 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 97.4 t -123.96 114.49 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.230000000000004 111.059 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -119.31 114.33 22.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 73.129999999999995 110.851 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -128.31 115.65 18.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 52.25 110.813 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.22 133.26 50.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 63.340000000000003 110.862 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 16' ' ' LYS . . . . . 0.432 ' O ' HD22 ' J' ' 17' ' ' LEU . 3.0 tptm -125.34 115.75 20.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 72.420000000000002 110.873 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.448 HD13 ' CB ' ' I' ' 17' ' ' LEU . 3.9 mm? -121.59 107.8 12.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 63.200000000000003 110.942 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.691 ' CG2' HG12 ' I' ' 18' ' ' VAL . 28.8 m -115.12 123.96 71.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 52.009999999999998 111.161 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.432 ' CD1' ' N ' ' J' ' 19' ' ' PHE . 1.3 m-85 -102.21 110.33 22.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 72.349999999999994 110.909 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 20' ' ' PHE . . . . . 0.439 ' CE2' HG22 ' J' ' 31' ' ' ILE . 13.2 m-30 57.59 74.55 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 65.430000000000007 110.89 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.85 125.89 50.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 73.239999999999995 111.106 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.01 81.8 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 62.420000000000002 110.862 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.679 HG23 ' CG1' ' I' ' 24' ' ' VAL . 3.0 p -121.09 138.08 52.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 75.319999999999993 111.101 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.62 -56.06 27.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.795 -0.717 . . . . 71.099999999999994 112.44 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 74.8 m -162.0 121.63 2.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.896 0.379 . . . . 53.219999999999999 110.883 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 27' ' ' ASN . . . . . 0.632 ' ND2' HG11 ' J' ' 24' ' ' VAL . 14.1 m-20 -100.98 108.42 20.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 74.230000000000004 110.926 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -112.37 163.88 13.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 74.540000000000006 110.921 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.72 -141.32 38.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 55.240000000000002 112.544 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 0.475 ' HB2' ' CD1' ' E' ' 4' ' ' PHE . . . -83.24 113.83 20.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 63.240000000000002 111.081 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.439 HG22 ' CE2' ' J' ' 20' ' ' PHE . 2.1 mm -104.53 113.76 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 64.200000000000003 111.136 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 6.9 mt -130.71 111.61 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 70.25 111.124 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 33' ' ' GLY . . . . . 0.577 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -47.35 -53.14 12.37 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 62.109999999999999 112.448 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.746 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -154.8 153.62 31.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.779 0.323 . . . . 63.200000000000003 110.927 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' J' J ' 35' ' ' MET . . . . . 0.404 ' H ' HD22 ' I' ' 34' ' ' LEU . 3.1 mtp -131.24 118.25 20.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 73.340000000000003 110.88 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 84.1 t -138.25 114.73 10.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 73.439999999999998 111.104 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.33 21.72 41.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.807 -0.711 . . . . 55.420000000000002 112.444 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.97 174.18 18.13 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 74.0 112.514 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.634 HG23 HG13 ' I' ' 39' ' ' VAL . 7.1 p -141.61 142.93 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 75.230000000000004 111.14 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.455 HG22 ' HA ' ' I' ' 40' ' ' VAL . 35.7 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 70.040000000000006 111.157 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.822 0.344 . . . . 50.520000000000003 110.875 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.62 98.34 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 63.43 111.107 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.8 mp0 -52.29 -29.69 24.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 71.450000000000003 110.903 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' F' ' 30' ' ' ALA . 2.1 m-85 -150.58 112.66 4.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 72.299999999999997 110.939 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.9 108.41 6.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 74.450000000000003 110.897 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -114.69 129.22 56.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 64.319999999999993 110.846 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -133.42 101.7 5.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 62.539999999999999 110.841 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 90.3 p -152.87 128.34 9.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 73.450000000000003 110.8 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.03 -27.47 10.48 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.69 -0.766 . . . . 64.120000000000005 112.524 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.47 114.91 5.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.872 0.368 . . . . 71.200000000000003 110.881 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -114.25 119.67 37.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 64.040000000000006 110.835 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.7 t -136.16 119.54 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 52.329999999999998 111.103 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -121.54 112.38 18.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 65.510000000000005 110.858 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -119.19 123.94 45.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 74.329999999999998 110.871 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -126.17 135.92 52.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 64.450000000000003 110.925 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -132.32 121.83 24.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 74.329999999999998 110.921 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.735 HD21 ' O ' ' F' ' 37' ' ' GLY . 4.2 mm? -113.52 107.01 15.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 74.209999999999994 110.882 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 21' ' ' ALA . 18.6 t -105.81 109.54 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 74.200000000000003 111.127 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.451 ' HE1' HD12 ' A' ' 17' ' ' LEU . 11.7 m-30 -102.26 111.45 23.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 74.310000000000002 110.912 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 54.29 90.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 75.450000000000003 110.924 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.468 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . . . -118.46 147.77 43.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 51.109999999999999 111.097 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 53.11 82.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 73.439999999999998 110.867 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.624 HG11 ' OD1' ' A' ' 27' ' ' ASN . 6.8 p -132.14 128.3 58.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 62.420000000000002 111.12 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.33 -47.0 63.12 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 51.009999999999998 112.467 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.2 m -164.29 135.79 4.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 72.030000000000001 110.846 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.624 ' OD1' HG11 ' A' ' 24' ' ' VAL . 13.6 m120 -107.18 103.31 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 51.329999999999998 110.886 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 tptp -114.06 154.26 28.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 62.409999999999997 110.92 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.82 -139.79 26.85 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.743 . . . . 60.329999999999998 112.521 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.567 ' HB2' ' CE2' ' F' ' 4' ' ' PHE . . . -87.77 114.16 24.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.768 0.318 . . . . 74.409999999999997 111.122 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.455 HD13 ' C ' ' A' ' 30' ' ' ALA . 0.6 OUTLIER -112.83 109.01 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 72.510000000000005 111.132 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.0 mt -131.77 108.9 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 61.340000000000003 111.124 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.31 -49.23 20.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 71.409999999999997 112.504 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.823 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -158.36 153.72 25.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.323 . . . . 71.129999999999995 110.91 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.01 121.93 34.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 52.119999999999997 110.867 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.41 HG11 HG21 ' F' ' 36' ' ' VAL . 89.9 t -125.45 112.04 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 71.019999999999996 111.144 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLY . . . . . 0.713 ' O ' HD21 ' F' ' 17' ' ' LEU . . . 61.92 15.51 49.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 61.140000000000001 112.453 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.01 154.43 23.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 74.409999999999997 112.48 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.633 ' H ' HG12 ' B' ' 39' ' ' VAL . 15.8 m -128.57 -176.49 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 52.119999999999997 111.124 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 73.510000000000005 111.15 179.888 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.814 0.34 . . . . 75.129999999999995 110.921 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.25 98.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 73.409999999999997 111.056 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 39.9 mp0 -53.06 -28.25 23.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 72.409999999999997 110.862 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.583 ' CE2' ' HB2' ' G' ' 30' ' ' ALA . 2.3 m-85 -151.72 112.16 4.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 74.319999999999993 110.86 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.4 108.55 8.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 71.25 110.885 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -115.01 129.05 56.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 63.310000000000002 110.877 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -133.8 102.31 5.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 71.099999999999994 110.884 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' C' ' 8' ' ' SER . 88.8 p -154.49 127.67 8.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 75.299999999999997 110.847 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.85 -26.3 10.83 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 32.539999999999999 112.491 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.31 112.83 5.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.826 0.346 . . . . 75.129999999999995 110.961 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -111.31 119.95 40.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 71.230000000000004 110.859 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 31.3 t -134.36 121.42 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 62.020000000000003 111.141 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -121.46 112.54 18.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 74.219999999999999 110.838 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -116.04 123.79 48.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 74.299999999999997 110.861 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -125.2 132.07 53.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 72.540000000000006 110.874 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -128.97 122.28 29.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 62.329999999999998 110.895 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.758 ' HB2' HD13 ' C' ' 17' ' ' LEU . 4.3 mm? -116.75 102.12 9.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 65.219999999999999 110.933 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' B' ' 21' ' ' ALA . 18.2 t -102.66 108.86 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 73.040000000000006 111.135 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.587 ' HE1' HD12 ' B' ' 17' ' ' LEU . 9.8 m-30 -102.79 108.85 20.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 73.409999999999997 110.849 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.424 ' CD2' HG22 ' B' ' 31' ' ' ILE . 8.5 m-30 56.01 90.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 63.130000000000003 110.889 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.481 ' HB2' ' CG1' ' B' ' 18' ' ' VAL . . . -117.72 148.15 42.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 70.530000000000001 111.093 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 53.06 82.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 71.25 110.882 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.613 HG11 ' OD1' ' B' ' 27' ' ' ASN . 6.3 p -133.41 127.4 53.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 75.530000000000001 111.119 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.9 -45.05 87.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 32.229999999999997 112.511 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 34.2 m -164.07 135.54 4.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 65.400000000000006 110.867 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.613 ' OD1' HG11 ' B' ' 24' ' ' VAL . 11.6 m120 -107.57 103.55 12.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 62.039999999999999 110.899 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -114.08 155.66 25.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 63.32 110.921 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.38 -139.03 26.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 64.450000000000003 112.498 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.576 ' HB2' ' CE2' ' G' ' 4' ' ' PHE . . . -88.55 114.04 24.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.76 0.314 . . . . 52.340000000000003 111.109 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.424 HG22 ' CD2' ' B' ' 20' ' ' PHE . 0.7 OUTLIER -111.3 108.21 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 72.409999999999997 111.147 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 mt -131.14 109.42 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 71.420000000000002 111.157 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.58 -49.85 20.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 55.049999999999997 112.513 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.826 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -156.2 151.87 27.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 61.520000000000003 110.902 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -124.07 119.84 30.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 74.319999999999993 110.906 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.439 HG21 HG11 ' G' ' 36' ' ' VAL . 86.3 t -127.55 112.12 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 52.450000000000003 111.143 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 37' ' ' GLY . . . . . 0.635 ' O ' HD21 ' G' ' 17' ' ' LEU . . . 59.53 17.86 42.17 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 62.32 112.524 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.35 154.68 22.54 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.798 -0.715 . . . . 70.129999999999995 112.523 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.633 HG12 ' H ' ' A' ' 39' ' ' VAL . 11.4 m -126.83 -176.45 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.886 0.374 . . . . 74.200000000000003 111.105 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 74.120000000000005 111.161 179.892 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.853 0.359 . . . . 72.409999999999997 110.901 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.32 98.67 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.140000000000001 111.088 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 37.8 mp0 -52.41 -28.32 19.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 73.409999999999997 110.922 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 4' ' ' PHE . . . . . 0.588 ' CE2' ' HB2' ' H' ' 30' ' ' ALA . 2.4 m-85 -151.54 112.21 4.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 63.130000000000003 110.868 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.94 108.35 8.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 75.140000000000001 110.833 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -116.04 127.36 54.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 75.200000000000003 110.892 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -131.81 102.27 5.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 53.119999999999997 110.887 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 8' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' B' ' 8' ' ' SER . 89.3 p -154.3 127.28 8.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 73.450000000000003 110.879 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.12 -25.99 11.66 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.735 -0.745 . . . . 72.420000000000002 112.489 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.37 112.9 5.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.856 0.36 . . . . 75.129999999999995 110.928 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -109.9 119.7 40.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 73.450000000000003 110.873 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 33.2 t -133.46 121.31 41.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 71.230000000000004 111.103 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -121.62 112.76 18.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 75.120000000000005 110.836 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -115.6 123.03 47.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 72.25 110.84 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -124.13 131.54 53.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 72.540000000000006 110.936 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -127.79 123.21 34.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 71.219999999999999 110.861 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.762 ' HB2' HD13 ' D' ' 17' ' ' LEU . 4.3 mm? -119.79 100.81 7.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 65.530000000000001 110.927 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.484 ' CG1' ' HB2' ' C' ' 21' ' ' ALA . 17.6 t -101.78 109.31 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 74.109999999999999 111.139 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.569 ' HE1' HD12 ' C' ' 17' ' ' LEU . 8.4 m-30 -102.77 106.77 17.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 60.140000000000001 110.886 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.435 ' CD2' HG22 ' C' ' 31' ' ' ILE . 8.7 m-30 56.81 90.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 74.439999999999998 110.855 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 0.484 ' HB2' ' CG1' ' C' ' 18' ' ' VAL . . . -118.31 148.04 42.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 73.209999999999994 111.051 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 52.8 82.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 74.420000000000002 110.835 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.605 HG11 ' OD1' ' C' ' 27' ' ' ASN . 6.2 p -133.39 126.33 52.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 73.209999999999994 111.101 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.19 -44.79 84.03 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.741 . . . . 73.420000000000002 112.469 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 33.8 m -164.05 135.84 4.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 71.209999999999994 110.866 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.605 ' OD1' HG11 ' C' ' 24' ' ' VAL . 11.5 m120 -107.51 103.85 13.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 74.510000000000005 110.887 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -114.51 155.76 25.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 52.219999999999999 110.904 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.43 -139.1 26.13 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 60.210000000000001 112.471 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.575 ' HB2' ' CZ ' ' H' ' 4' ' ' PHE . . . -88.34 113.8 24.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.725 0.298 . . . . 62.229999999999997 111.144 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.435 HG22 ' CD2' ' C' ' 20' ' ' PHE . 0.7 OUTLIER -110.98 107.87 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 74.400000000000006 111.157 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -130.62 109.94 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 63.450000000000003 111.087 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.49 -50.21 18.92 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 64.109999999999999 112.452 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.823 ' N ' HD13 ' C' ' 34' ' ' LEU . 0.0 OUTLIER -154.88 151.95 29.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 74.230000000000004 110.884 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -124.83 118.49 26.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 64.409999999999997 110.85 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.417 HG21 HG11 ' H' ' 36' ' ' VAL . 85.8 t -129.41 111.5 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 71.540000000000006 111.142 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 37' ' ' GLY . . . . . 0.632 ' O ' HD21 ' H' ' 17' ' ' LEU . . . 58.18 18.59 35.54 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 73.540000000000006 112.483 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.4 154.42 22.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 71.25 112.506 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.58 HG12 ' H ' ' B' ' 39' ' ' VAL . 10.8 m -129.87 -175.81 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 72.349999999999994 111.109 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 72.439999999999998 111.103 179.89 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.861 0.363 . . . . 62.100000000000001 110.891 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.65 98.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 62.109999999999999 111.067 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 38.9 mp0 -52.79 -28.26 21.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 62.539999999999999 110.898 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 4' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' I' ' 30' ' ' ALA . 2.5 m-85 -150.87 112.06 4.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 74.25 110.861 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.95 108.05 9.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 74.430000000000007 110.842 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -117.11 125.52 51.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 52.329999999999998 110.84 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -129.64 102.22 6.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 64.519999999999996 110.88 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 8' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' C' ' 8' ' ' SER . 90.2 p -154.61 127.38 8.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 72.140000000000001 110.867 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.99 -25.66 17.42 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.747 -0.739 . . . . 74.409999999999997 112.486 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.26 113.71 5.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.833 0.349 . . . . 73.420000000000002 110.961 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -109.37 120.04 41.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 73.420000000000002 110.863 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 31.8 t -132.79 121.43 44.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 71.329999999999998 111.109 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -122.1 112.49 18.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 74.340000000000003 110.868 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -115.2 124.39 51.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 72.129999999999995 110.861 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -125.16 131.28 53.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 75.439999999999998 110.914 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -126.3 122.25 34.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 75.540000000000006 110.878 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.762 HD13 ' HB2' ' C' ' 17' ' ' LEU . 4.2 mm? -121.49 100.72 7.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 74.209999999999994 110.937 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.511 ' CG1' ' HB2' ' D' ' 21' ' ' ALA . 21.1 t -102.23 109.7 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 71.239999999999995 111.163 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.578 ' HE1' HD12 ' D' ' 17' ' ' LEU . 7.8 m-30 -101.96 105.07 15.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 74.450000000000003 110.863 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.435 ' CD2' HG22 ' D' ' 31' ' ' ILE . 8.6 m-30 57.09 90.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 74.040000000000006 110.887 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 21' ' ' ALA . . . . . 0.511 ' HB2' ' CG1' ' D' ' 18' ' ' VAL . . . -118.24 147.95 42.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 43.439999999999998 111.107 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 53.17 82.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 53.030000000000001 110.865 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.592 HG11 ' OD1' ' D' ' 27' ' ' ASN . 6.2 p -133.57 126.13 51.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 52.32 111.155 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.28 -44.29 84.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.677 -0.773 . . . . 72.230000000000004 112.532 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 34.7 m -164.21 135.73 4.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.374 . . . . 70.109999999999999 110.912 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.592 ' OD1' HG11 ' D' ' 24' ' ' VAL . 11.0 m120 -107.07 103.29 12.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 72.430000000000007 110.887 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -114.26 156.47 24.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 63.140000000000001 110.861 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.13 -138.43 25.42 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.731 -0.747 . . . . 51.140000000000001 112.52 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.585 ' HB2' ' CZ ' ' I' ' 4' ' ' PHE . . . -89.13 113.96 25.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 74.219999999999999 111.092 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.435 HG22 ' CD2' ' D' ' 20' ' ' PHE . 0.7 OUTLIER -110.61 107.91 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 62.520000000000003 111.145 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 mt -130.32 110.35 18.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 72.349999999999994 111.119 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 33' ' ' GLY . . . . . 0.469 ' C ' HD13 ' D' ' 34' ' ' LEU . . . -47.76 -51.54 17.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 44.399999999999999 112.464 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.818 ' N ' HD13 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -152.81 150.76 29.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.759 0.314 . . . . 75.239999999999995 110.967 -179.883 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -124.97 117.57 24.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 74.450000000000003 110.87 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 93.3 t -132.68 111.09 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 75.219999999999999 111.181 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 37' ' ' GLY . . . . . 0.663 ' O ' HD21 ' I' ' 17' ' ' LEU . . . 59.67 17.36 41.34 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.722 -0.752 . . . . 64.420000000000002 112.447 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.84 156.81 23.03 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 74.329999999999998 112.488 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.575 HG12 ' H ' ' C' ' 39' ' ' VAL . 5.7 m -131.51 -176.01 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.375 . . . . 73.329999999999998 111.161 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 18.0 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 75.319999999999993 111.122 179.912 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.797 0.332 . . . . 61.140000000000001 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.51 98.47 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 70.019999999999996 111.063 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 39.3 mp0 -52.83 -28.24 21.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 73.150000000000006 110.869 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 4' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' J' ' 30' ' ' ALA . 2.5 m-85 -150.46 113.84 4.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 61.219999999999999 110.888 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.05 107.55 9.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 73.439999999999998 110.841 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -118.16 123.83 46.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 70.120000000000005 110.889 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -127.35 101.34 6.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 63.409999999999997 110.882 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 90.3 p -155.51 128.1 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 73.230000000000004 110.895 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.78 -23.45 37.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 74.409999999999997 112.485 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.87 113.24 5.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 73.219999999999999 110.884 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -109.41 120.22 41.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 70.530000000000001 110.874 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 34.5 t -132.54 122.52 47.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 75.030000000000001 111.131 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -122.32 112.82 18.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 71.340000000000003 110.856 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -113.33 127.7 56.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 63.109999999999999 110.845 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -128.56 132.68 48.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 75.140000000000001 110.923 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -127.62 120.44 28.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 74.040000000000006 110.905 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.76 HD13 ' HB2' ' D' ' 17' ' ' LEU . 4.1 mm? -122.69 100.97 7.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 75.540000000000006 110.887 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.502 ' CG1' ' HB2' ' E' ' 21' ' ' ALA . 17.2 t -100.93 111.52 30.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 44.140000000000001 111.099 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.508 ' HE1' HD12 ' E' ' 17' ' ' LEU . 8.9 m-30 -102.13 100.71 10.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 75.129999999999995 110.889 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.431 ' CD2' HG22 ' E' ' 31' ' ' ILE . 8.8 m-30 57.66 90.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 71.420000000000002 110.865 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 21' ' ' ALA . . . . . 0.502 ' HB2' ' CG1' ' E' ' 18' ' ' VAL . . . -118.16 149.97 40.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 51.420000000000002 111.105 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 51.57 82.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 75.549999999999997 110.892 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.596 HG11 ' OD1' ' E' ' 27' ' ' ASN . 7.0 p -132.92 124.92 51.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 75.349999999999994 111.166 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.22 -44.29 84.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 64.0 112.449 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 30.6 m -163.89 134.48 4.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 65.329999999999998 110.819 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.596 ' OD1' HG11 ' E' ' 24' ' ' VAL . 10.1 m120 -105.58 102.95 12.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.310000000000002 110.897 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -114.2 157.57 22.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 74.129999999999995 110.889 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.52 -138.49 26.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 44.240000000000002 112.473 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.592 ' HB2' ' CZ ' ' J' ' 4' ' ' PHE . . . -89.51 113.76 25.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.765 0.317 . . . . 75.209999999999994 111.104 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.431 HG22 ' CD2' ' E' ' 20' ' ' PHE . 0.8 OUTLIER -109.05 107.31 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 64.150000000000006 111.188 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 mt -127.59 109.87 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 64.030000000000001 111.119 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 33' ' ' GLY . . . . . 0.567 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -48.76 -49.33 28.37 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 71.109999999999999 112.519 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.774 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -153.11 151.0 29.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.841 0.353 . . . . 75.409999999999997 110.903 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -128.94 117.7 21.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 64.040000000000006 110.936 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 94.4 t -135.74 110.5 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 63.210000000000001 111.13 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 37' ' ' GLY . . . . . 0.673 ' O ' HD21 ' J' ' 17' ' ' LEU . . . 58.17 18.16 33.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.674 -0.774 . . . . 70.299999999999997 112.52 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.14 159.75 24.44 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.752 -0.737 . . . . 74.450000000000003 112.533 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.562 HG12 ' O ' ' D' ' 39' ' ' VAL . 12.4 m -130.46 -175.66 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 55.140000000000001 111.113 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 74.409999999999997 111.105 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.781 0.324 . . . . 75.329999999999998 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.2 97.76 0.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 70.5 111.112 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 39.7 mp0 -52.51 -29.89 27.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 72.439999999999998 110.865 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 4' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 2.3 m-85 -151.73 113.2 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 73.310000000000002 110.881 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.57 108.52 6.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 74.049999999999997 110.907 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -114.47 128.68 56.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 64.219999999999999 110.814 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -132.86 101.79 5.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 74.530000000000001 110.886 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 8' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' G' ' 8' ' ' SER . 91.0 p -152.68 128.15 9.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 34.100000000000001 110.862 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.5 -27.26 11.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 53.240000000000002 112.517 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.29 114.83 5.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.877 0.37 . . . . 53.219999999999999 110.907 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -113.66 119.65 38.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 72.450000000000003 110.921 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 31.0 t -133.73 120.7 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 71.450000000000003 111.099 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -121.2 112.62 18.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 73.109999999999999 110.87 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -121.15 122.09 39.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 72.340000000000003 110.887 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -125.85 134.54 51.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.219999999999999 110.947 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -131.62 122.38 25.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 75.299999999999997 110.898 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.761 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.2 mm? -115.17 106.3 13.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 75.140000000000001 110.905 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' F' ' 21' ' ' ALA . 19.0 t -105.26 109.89 29.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 74.409999999999997 111.103 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.448 ' HE1' HD12 ' F' ' 17' ' ' LEU . 11.7 m-30 -102.67 110.92 23.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 65.219999999999999 110.839 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 54.89 90.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 75.25 110.938 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 21' ' ' ALA . . . . . 0.476 ' HB2' ' CG1' ' F' ' 18' ' ' VAL . . . -118.51 147.84 43.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 75.239999999999995 111.094 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 53.12 82.45 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 71.120000000000005 110.863 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.567 HG11 ' OD1' ' F' ' 27' ' ' ASN . 7.0 p -132.57 127.69 56.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 51.109999999999999 111.141 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.93 -46.94 67.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.671 -0.776 . . . . 74.439999999999998 112.546 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 34.0 m -164.0 134.7 4.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 74.439999999999998 110.872 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 27' ' ' ASN . . . . . 0.567 ' OD1' HG11 ' F' ' 24' ' ' VAL . 13.2 m120 -104.82 104.01 13.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 75.430000000000007 110.842 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 tptp -113.25 155.0 25.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 70.439999999999998 110.935 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.7 -140.4 29.04 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.75 . . . . 71.239999999999995 112.458 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.56 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . . . -87.91 113.97 24.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.324 . . . . 43.200000000000003 111.067 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.428 HD13 ' C ' ' F' ' 30' ' ' ALA . 0.6 OUTLIER -110.8 109.26 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 73.420000000000002 111.137 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mt -132.31 108.58 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 74.200000000000003 111.122 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.89 -49.8 16.54 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.688 -0.767 . . . . 54.140000000000001 112.468 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.824 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -158.51 153.57 25.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.798 0.332 . . . . 72.120000000000005 110.965 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -125.74 121.27 32.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 73.319999999999993 110.839 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.41 HG21 HG11 ' A' ' 36' ' ' VAL . 87.8 t -124.53 111.74 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 70.400000000000006 111.076 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 37' ' ' GLY . . . . . 0.735 ' O ' HD21 ' A' ' 17' ' ' LEU . . . 61.16 15.9 46.22 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.729 -0.748 . . . . 75.5 112.48 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.87 153.45 22.21 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.79 -0.719 . . . . 21.120000000000001 112.489 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.625 ' H ' HG12 ' G' ' 39' ' ' VAL . 15.5 m -128.87 -174.58 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.836 0.35 . . . . 73.200000000000003 111.108 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 18.5 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 72.200000000000003 111.142 179.918 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.79 0.329 . . . . 73.420000000000002 110.852 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.37 97.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 73.430000000000007 111.106 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 39.5 mp0 -52.56 -30.19 29.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 64.25 110.846 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 4' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' B' ' 30' ' ' ALA . 2.6 m-85 -152.15 112.96 4.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 72.140000000000001 110.886 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.45 108.7 8.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 64.349999999999994 110.86 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -114.48 128.32 56.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 74.409999999999997 110.851 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -132.91 102.53 5.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 63.409999999999997 110.855 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 8' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' H' ' 8' ' ' SER . 89.8 p -154.68 127.37 8.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 62.539999999999999 110.861 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.76 -26.63 11.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 73.530000000000001 112.481 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.09 112.86 5.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.813 0.339 . . . . 74.040000000000006 110.959 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -110.71 119.62 39.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 75.230000000000004 110.894 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 31.6 t -133.58 121.2 40.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 74.150000000000006 111.101 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -121.43 113.17 19.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 75.010000000000005 110.868 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -116.66 123.01 46.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 72.409999999999997 110.904 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -124.64 131.87 53.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 75.329999999999998 110.942 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -129.48 122.75 29.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 75.239999999999995 110.911 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.79 ' HB2' HD13 ' H' ' 17' ' ' LEU . 4.3 mm? -117.67 101.87 8.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 72.519999999999996 110.896 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' G' ' 21' ' ' ALA . 18.0 t -102.16 108.84 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 73.010000000000005 111.144 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.584 ' HE1' HD12 ' G' ' 17' ' ' LEU . 9.7 m-30 -102.74 108.52 19.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 73.510000000000005 110.939 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 0.407 ' CD2' HG22 ' G' ' 31' ' ' ILE . 8.3 m-30 56.5 90.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 74.299999999999997 110.886 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 21' ' ' ALA . . . . . 0.471 ' HB2' ' CG1' ' G' ' 18' ' ' VAL . . . -118.29 148.65 42.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 53.009999999999998 111.063 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 53.01 82.81 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 75.430000000000007 110.831 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.585 HG11 ' OD1' ' G' ' 27' ' ' ASN . 6.5 p -133.61 126.85 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 71.230000000000004 111.178 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.73 -44.76 91.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 62.219999999999999 112.492 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 34.9 m -163.18 134.94 5.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.372 . . . . 75.219999999999999 110.868 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 27' ' ' ASN . . . . . 0.585 ' OD1' HG11 ' G' ' 24' ' ' VAL . 11.0 m120 -106.52 103.46 12.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 74.140000000000001 110.909 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 tptp -113.46 156.85 22.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 71.430000000000007 110.887 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.24 -140.05 29.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.759 . . . . 61.539999999999999 112.463 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.583 ' HB2' ' CE2' ' B' ' 4' ' ' PHE . . . -88.43 113.85 24.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 63.340000000000003 111.083 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.407 HG22 ' CD2' ' G' ' 20' ' ' PHE . 0.7 OUTLIER -109.41 108.07 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 71.439999999999998 111.123 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 mt -131.0 108.94 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 73.510000000000005 111.151 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.42 -49.99 19.03 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 65.219999999999999 112.455 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.818 ' N ' HD13 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -156.69 152.44 27.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.784 0.326 . . . . 62.43 110.93 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -124.39 119.4 29.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 71.420000000000002 110.846 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.439 HG11 HG21 ' B' ' 36' ' ' VAL . 86.5 t -126.51 111.72 27.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 74.239999999999995 111.105 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 37' ' ' GLY . . . . . 0.672 ' O ' HD21 ' B' ' 17' ' ' LEU . . . 58.44 18.36 36.41 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.685 -0.769 . . . . 54.109999999999999 112.492 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.33 153.5 21.58 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 51.520000000000003 112.479 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.625 HG12 ' H ' ' F' ' 39' ' ' VAL . 11.1 m -127.18 -174.74 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 72.140000000000001 111.09 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 17.9 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 75.230000000000004 111.143 179.943 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.82 0.343 . . . . 60.119999999999997 110.868 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.54 98.14 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 64.310000000000002 111.083 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 39.8 mp0 -52.47 -29.55 25.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 75.209999999999994 110.923 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 4' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' C' ' 30' ' ' ALA . 2.6 m-85 -151.84 112.73 4.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 74.340000000000003 110.828 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.13 108.44 8.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 74.129999999999995 110.852 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -115.76 126.9 54.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 62.229999999999997 110.857 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -131.35 102.63 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 74.150000000000006 110.849 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 8' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' G' ' 8' ' ' SER . 90.4 p -154.45 127.32 8.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 61.100000000000001 110.866 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.91 -26.42 11.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 74.519999999999996 112.478 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.34 112.57 4.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.825 0.345 . . . . 61.520000000000003 110.94 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -109.09 119.83 40.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 72.340000000000003 110.922 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 32.0 t -133.51 121.38 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 72.439999999999998 111.157 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -121.63 113.17 19.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 72.319999999999993 110.867 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -115.98 123.03 46.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 74.25 110.911 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -124.37 131.48 53.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 75.109999999999999 110.927 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -127.96 122.55 32.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 63.310000000000002 110.907 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.79 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.3 mm? -119.52 100.65 7.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 73.120000000000005 110.877 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' H' ' 21' ' ' ALA . 18.5 t -101.57 109.19 25.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 64.549999999999997 111.144 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.573 ' HE1' HD12 ' H' ' 17' ' ' LEU . 8.4 m-30 -102.5 106.57 17.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 74.230000000000004 110.889 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 20' ' ' PHE . . . . . 0.418 ' CD2' HG22 ' H' ' 31' ' ' ILE . 8.5 m-30 57.24 90.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 74.329999999999998 110.861 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 21' ' ' ALA . . . . . 0.476 ' HB2' ' CG1' ' H' ' 18' ' ' VAL . . . -118.54 148.24 42.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 63.5 111.096 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 53.05 82.7 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 72.239999999999995 110.839 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 24' ' ' VAL . . . . . 0.576 HG11 ' OD1' ' H' ' 27' ' ' ASN . 6.4 p -133.53 126.0 51.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 71.329999999999998 111.134 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.92 -44.71 87.61 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 62.219999999999999 112.479 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 34.0 m -163.16 135.04 5.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.944 0.402 . . . . 63.409999999999997 110.829 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 27' ' ' ASN . . . . . 0.576 ' OD1' HG11 ' H' ' 24' ' ' VAL . 10.9 m120 -106.17 103.21 12.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 73.109999999999999 110.92 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 tptp -113.63 156.93 22.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 74.209999999999994 110.901 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.28 -139.46 28.06 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.696 -0.764 . . . . 62.119999999999997 112.521 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 30' ' ' ALA . . . . . 0.588 ' HB2' ' CE2' ' C' ' 4' ' ' PHE . . . -88.76 113.8 24.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.765 0.317 . . . . 74.329999999999998 111.061 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.418 HG22 ' CD2' ' H' ' 20' ' ' PHE . 0.7 OUTLIER -109.34 107.9 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 72.420000000000002 111.18 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -130.93 109.64 16.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 72.349999999999994 111.132 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 33' ' ' GLY . . . . . 0.417 ' C ' HD13 ' H' ' 34' ' ' LEU . . . -47.58 -50.59 18.68 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 73.140000000000001 112.46 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.813 ' N ' HD13 ' H' ' 34' ' ' LEU . 0.0 OUTLIER -154.69 151.78 29.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 70.439999999999998 110.924 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -124.36 118.03 25.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 75.409999999999997 110.86 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.417 HG11 HG21 ' C' ' 36' ' ' VAL . 86.7 t -129.61 111.33 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 53.420000000000002 111.115 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 37' ' ' GLY . . . . . 0.666 ' O ' HD21 ' C' ' 17' ' ' LEU . . . 59.05 18.11 39.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.826 -0.702 . . . . 75.540000000000006 112.457 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.74 153.98 21.94 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 51.329999999999998 112.475 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.63 ' H ' HG12 ' I' ' 39' ' ' VAL . 5.3 m -130.49 -174.53 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 73.209999999999994 111.113 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 74.439999999999998 111.137 179.912 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.869 0.366 . . . . 71.129999999999995 110.866 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.4 98.22 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 64.519999999999996 111.089 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 40.4 mp0 -52.34 -29.93 26.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 65.409999999999997 110.854 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 4' ' ' PHE . . . . . 0.585 ' CZ ' ' HB2' ' D' ' 30' ' ' ALA . 2.7 m-85 -150.84 112.68 4.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 73.420000000000002 110.899 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.44 108.52 9.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 72.340000000000003 110.882 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -117.0 125.12 50.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 65.129999999999995 110.834 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -129.37 102.61 6.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 72.420000000000002 110.847 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 8' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' H' ' 8' ' ' SER . 89.0 p -154.91 127.19 7.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 73.340000000000003 110.853 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.97 -25.7 17.35 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.749 -0.739 . . . . 62.149999999999999 112.486 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.08 113.76 5.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.873 0.368 . . . . 73.420000000000002 110.881 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -109.24 119.84 40.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 75.319999999999993 110.885 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 32.1 t -133.39 120.86 40.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 74.120000000000005 111.105 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -121.9 113.15 19.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 73.340000000000003 110.875 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -115.27 124.06 50.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 73.25 110.858 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -124.95 131.41 53.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 72.420000000000002 110.929 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -126.53 122.43 35.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 71.349999999999994 110.875 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.764 HD13 ' HB2' ' H' ' 17' ' ' LEU . 4.2 mm? -121.56 100.61 7.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 73.5 110.889 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 18' ' ' VAL . . . . . 0.507 ' CG1' ' HB2' ' I' ' 21' ' ' ALA . 20.9 t -102.29 109.86 27.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 72.349999999999994 111.113 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 19' ' ' PHE . . . . . 0.565 ' HE1' HD12 ' I' ' 17' ' ' LEU . 7.8 m-30 -102.06 104.96 15.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 75.420000000000002 110.878 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 20' ' ' PHE . . . . . 0.424 ' CD2' HG22 ' I' ' 31' ' ' ILE . 8.5 m-30 57.34 90.56 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 64.099999999999994 110.881 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 21' ' ' ALA . . . . . 0.507 ' HB2' ' CG1' ' I' ' 18' ' ' VAL . . . -118.74 148.84 42.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 43.219999999999999 111.112 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 52.78 82.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 73.409999999999997 110.856 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.557 HG11 ' OD1' ' I' ' 27' ' ' ASN . 6.3 p -133.41 125.87 51.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 63.039999999999999 111.166 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.98 -44.27 87.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 51.439999999999998 112.504 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 34.6 m -163.16 135.3 5.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 64.450000000000003 110.872 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 27' ' ' ASN . . . . . 0.557 ' OD1' HG11 ' I' ' 24' ' ' VAL . 10.3 m120 -106.17 102.88 12.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 63.200000000000003 110.91 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 tptp -113.94 157.17 22.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 73.430000000000007 110.867 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.47 -139.59 28.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.707 -0.759 . . . . 72.519999999999996 112.512 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.572 ' HB2' ' CE2' ' D' ' 4' ' ' PHE . . . -88.78 113.65 24.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.75 0.309 . . . . 74.409999999999997 111.082 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.424 HG22 ' CD2' ' I' ' 20' ' ' PHE . 0.7 OUTLIER -109.13 107.97 24.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 63.130000000000003 111.157 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 mt -130.52 110.09 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 72.049999999999997 111.148 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 33' ' ' GLY . . . . . 0.484 ' C ' HD13 ' I' ' 34' ' ' LEU . . . -47.66 -51.9 16.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.761 . . . . 62.329999999999998 112.491 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.806 ' N ' HD13 ' I' ' 34' ' ' LEU . 0.0 OUTLIER -152.86 150.53 29.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.781 0.324 . . . . 63.530000000000001 110.937 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -124.55 117.74 25.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 73.209999999999994 110.891 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 92.5 t -132.02 111.14 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 51.539999999999999 111.103 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 37' ' ' GLY . . . . . 0.675 ' O ' HD21 ' D' ' 17' ' ' LEU . . . 58.71 17.6 35.23 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.75 . . . . 71.109999999999999 112.443 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.0 155.72 22.16 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 42.350000000000001 112.467 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 0.63 HG12 ' H ' ' H' ' 39' ' ' VAL . 5.3 m -132.35 -174.13 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 75.5 111.129 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 18.5 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 65.530000000000001 111.069 179.943 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.786 0.327 . . . . 75.349999999999994 110.846 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.96 98.12 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 74.450000000000003 111.05 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 39.4 mp0 -52.0 -29.66 21.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 75.540000000000006 110.916 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 4' ' ' PHE . . . . . 0.592 ' CZ ' ' HB2' ' E' ' 30' ' ' ALA . 2.6 m-85 -150.37 114.31 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 61.420000000000002 110.867 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.62 107.96 9.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 75.439999999999998 110.88 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -117.59 123.81 47.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 74.219999999999999 110.86 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -127.55 101.6 6.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 73.129999999999995 110.839 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 87.7 p -155.8 127.99 7.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 54.439999999999998 110.812 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.48 -23.81 36.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 70.319999999999993 112.478 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.86 113.55 5.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.833 0.349 . . . . 73.219999999999999 110.945 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -108.83 119.94 41.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 73.510000000000005 110.889 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 32.1 t -133.26 120.62 40.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 54.520000000000003 111.13 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -122.54 113.24 19.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 73.340000000000003 110.842 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -114.1 127.08 55.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 62.329999999999998 110.832 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -127.45 132.77 49.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 63.509999999999998 110.946 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 tttp -126.65 122.35 34.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 72.319999999999993 110.867 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.738 HD13 ' HB2' ' I' ' 17' ' ' LEU . 4.1 mm? -123.78 100.7 6.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 64.510000000000005 110.954 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.503 ' CG1' ' HB2' ' J' ' 21' ' ' ALA . 17.5 t -100.59 111.67 30.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 74.439999999999998 111.1 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.559 ' HE1' HD12 ' J' ' 17' ' ' LEU . 8.7 m-30 -102.33 100.72 10.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 74.109999999999999 110.885 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 20' ' ' PHE . . . . . 0.426 ' CD2' HG22 ' J' ' 31' ' ' ILE . 8.6 m-30 57.87 90.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 72.219999999999999 110.894 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 21' ' ' ALA . . . . . 0.503 ' HB2' ' CG1' ' J' ' 18' ' ' VAL . . . -118.35 150.2 39.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 64.099999999999994 111.101 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 51.69 82.13 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 72.010000000000005 110.904 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.602 HG11 ' OD1' ' J' ' 27' ' ' ASN . 6.8 p -132.95 123.97 49.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 73.310000000000002 111.122 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.29 -43.21 84.37 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 70.420000000000002 112.5 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 34.2 m -163.91 134.02 4.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 75.430000000000007 110.876 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 27' ' ' ASN . . . . . 0.602 ' OD1' HG11 ' J' ' 24' ' ' VAL . 9.7 m120 -105.06 102.26 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 74.209999999999994 110.93 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -113.95 158.22 21.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 44.240000000000002 110.882 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.93 -140.15 29.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 71.209999999999994 112.498 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 0.57 ' HB2' ' CZ ' ' E' ' 4' ' ' PHE . . . -88.49 113.84 24.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 72.239999999999995 111.124 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.426 HG22 ' CD2' ' J' ' 20' ' ' PHE . 0.7 OUTLIER -108.25 107.77 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 74.150000000000006 111.139 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mt -128.03 109.39 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 71.409999999999997 111.115 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 33' ' ' GLY . . . . . 0.569 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -48.81 -49.73 27.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.789 -0.72 . . . . 64.140000000000001 112.465 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.776 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -153.21 150.8 29.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.82 0.343 . . . . 71.510000000000005 110.928 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -128.93 117.4 20.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 72.450000000000003 110.888 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 90.5 t -134.82 110.08 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 74.109999999999999 111.143 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 37' ' ' GLY . . . . . 0.718 ' O ' HD21 ' E' ' 17' ' ' LEU . . . 57.37 18.31 28.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 35.299999999999997 112.521 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.88 156.68 22.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.734 . . . . 44.32 112.455 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.605 HG12 ' O ' ' I' ' 39' ' ' VAL . 8.0 m -135.0 -175.26 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 74.129999999999995 111.135 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 72.239999999999995 111.143 179.909 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.835 0.35 . . . . 72.120000000000005 110.869 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.77 88.17 5.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 63.240000000000002 111.07 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -51.81 -33.25 34.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 75.319999999999993 110.907 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.543 ' CD1' ' HB2' ' F' ' 30' ' ' ALA . 2.1 t80 -168.59 124.27 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 73.400000000000006 110.867 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.0 mmm-85 -128.82 109.14 11.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 75.519999999999996 110.916 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -105.74 111.17 23.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 71.329999999999998 110.861 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -114.12 102.34 10.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 72.099999999999994 110.901 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 83.4 p -147.19 174.67 11.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 65.439999999999998 110.862 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.92 -22.65 5.58 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.7 -0.762 . . . . 50.420000000000002 112.449 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -151.29 101.95 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.841 0.353 . . . . 75.340000000000003 110.889 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.65 120.01 39.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 71.319999999999993 110.918 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.9 t -138.16 113.63 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 70.239999999999995 111.174 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -119.49 116.32 25.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 64.109999999999999 110.875 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -118.77 133.87 55.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 71.030000000000001 110.913 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.91 132.73 54.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 62.119999999999997 110.909 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.526 ' C ' HD22 ' A' ' 17' ' ' LEU . 4.5 tttp -131.74 115.23 15.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 45.240000000000002 110.891 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.677 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.5 mm? -124.71 102.23 7.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 71.239999999999995 110.881 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.711 HG12 ' HB2' ' A' ' 21' ' ' ALA . 2.1 t -108.67 111.06 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 60.030000000000001 111.123 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.452 ' HD2' HD12 ' B' ' 34' ' ' LEU . 6.9 m-85 -103.07 140.41 37.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 64.129999999999995 110.943 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.599 ' HE1' HG22 ' A' ' 31' ' ' ILE . 16.7 m-85 61.99 36.61 15.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 73.120000000000005 110.891 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.711 ' HB2' HG12 ' A' ' 18' ' ' VAL . . . -89.48 128.29 35.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 70.219999999999999 111.097 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.81 76.38 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 72.409999999999997 110.892 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.9 p -138.61 140.31 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 64.319999999999993 111.105 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.31 -46.21 94.21 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 61.329999999999998 112.511 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.07 147.58 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.382 . . . . 64.200000000000003 110.847 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.468 ' HB3' HD13 ' A' ' 31' ' ' ILE . 40.1 m-20 -100.64 104.55 15.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.498 . . . . 64.420000000000002 110.914 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -114.15 158.9 20.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 75.540000000000006 110.873 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.38 -136.19 35.87 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.757 -0.735 . . . . 71.120000000000005 112.485 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.456 ' HB2' ' CD1' ' F' ' 4' ' ' PHE . . . -91.59 113.05 25.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.722 0.296 . . . . 62.130000000000003 111.094 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.599 HG22 ' HE1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -130.01 127.76 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 75.450000000000003 111.114 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.9 mt -133.39 119.42 34.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 73.340000000000003 111.12 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.56 -56.39 8.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 64.420000000000002 112.498 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.847 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -158.44 151.67 22.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 65.310000000000002 110.939 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.4 mtp -128.72 124.89 36.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 73.239999999999995 110.871 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.932 HG11 HG11 ' F' ' 36' ' ' VAL . 26.8 t -123.01 111.99 32.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 62.420000000000002 111.148 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.61 28.48 37.73 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 33.43 112.496 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.69 -163.87 26.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 62.240000000000002 112.477 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.782 HG13 HG23 ' B' ' 39' ' ' VAL . 9.7 p -163.94 146.0 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.88 0.371 . . . . 64.230000000000004 111.103 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.595 HG12 HG22 ' B' ' 40' ' ' VAL . 28.5 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 73.319999999999993 111.151 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.812 0.339 . . . . 64.349999999999994 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.24 89.55 4.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 44.210000000000001 111.09 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -51.49 -29.79 17.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 71.209999999999994 110.847 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.588 ' CD1' ' HB2' ' G' ' 30' ' ' ALA . 2.0 t80 -166.89 124.66 1.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.540000000000006 110.845 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 mmm-85 -127.18 108.76 11.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 74.150000000000006 110.848 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -106.73 109.36 21.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 73.120000000000005 110.805 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -114.32 101.59 9.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 72.450000000000003 110.866 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 83.5 p -146.31 174.43 11.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.310000000000002 110.921 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.04 -22.24 5.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 62.210000000000001 112.471 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -151.86 101.48 2.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 72.340000000000003 110.915 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.56 120.0 38.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 73.439999999999998 110.906 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 89.1 t -136.97 113.77 12.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 64.209999999999994 111.099 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -121.39 115.39 22.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 74.540000000000006 110.847 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -119.26 135.7 54.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 63.520000000000003 110.839 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.82 132.6 54.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 74.400000000000006 110.881 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.551 ' O ' HD22 ' B' ' 17' ' ' LEU . 4.4 tttp -126.23 115.69 20.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 72.219999999999999 110.877 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.677 HD13 ' HB2' ' A' ' 17' ' ' LEU . 4.5 mm? -126.55 102.27 7.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 62.299999999999997 110.923 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.855 HG12 ' HB2' ' B' ' 21' ' ' ALA . 1.5 t -109.99 113.44 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 71.319999999999993 111.101 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.475 ' HD2' HD12 ' C' ' 34' ' ' LEU . 4.6 m-85 -107.6 136.79 46.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 72.439999999999998 110.892 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.685 ' HE1' HG22 ' B' ' 31' ' ' ILE . 19.6 m-85 61.07 36.36 18.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 62.229999999999997 110.891 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.855 ' HB2' HG12 ' B' ' 18' ' ' VAL . . . -89.51 126.47 35.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.498 . . . . 71.230000000000004 111.08 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.47 78.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 61.420000000000002 110.899 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.406 HG22 ' H ' ' B' ' 26' ' ' SER . 6.0 p -139.59 140.19 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 65.409999999999997 111.113 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.85 -45.68 94.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 64.129999999999995 112.524 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.406 ' H ' HG22 ' B' ' 24' ' ' VAL . 0.4 OUTLIER -179.91 146.3 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.929 0.395 . . . . 62.229999999999997 110.826 -179.749 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.521 ' OD1' HG21 ' B' ' 31' ' ' ILE . 59.3 m-20 -100.55 105.06 16.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 74.109999999999999 110.886 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -114.61 160.0 19.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 44.43 110.899 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.76 -134.44 35.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 43.409999999999997 112.503 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.497 ' HB2' ' CD1' ' G' ' 4' ' ' PHE . . . -91.06 112.83 24.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 62.530000000000001 111.093 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.685 HG22 ' HE1' ' B' ' 20' ' ' PHE . 0.5 OUTLIER -128.28 124.2 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 50.549999999999997 111.125 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 8.0 mt -131.74 119.27 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 63.039999999999999 111.146 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.1 -56.97 10.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.798 -0.715 . . . . 73.140000000000001 112.486 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.856 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -155.38 151.16 27.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.336 . . . . 54.210000000000001 110.922 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 7.6 mtp -129.23 122.78 30.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 71.109999999999999 110.89 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.994 HG11 HG11 ' G' ' 36' ' ' VAL . 39.0 t -122.97 111.88 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 74.230000000000004 111.143 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.15 30.0 22.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 73.150000000000006 112.507 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.43 -163.84 27.33 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 52.119999999999997 112.507 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.782 HG23 HG13 ' A' ' 39' ' ' VAL . 9.0 p -163.17 145.59 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 63.340000000000003 111.133 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.599 HG12 HG22 ' C' ' 40' ' ' VAL . 27.4 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 73.109999999999999 111.111 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.845 0.355 . . . . 74.140000000000001 110.819 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.84 88.66 5.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 50.009999999999998 111.103 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -52.82 -30.52 33.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 73.349999999999994 110.922 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 4' ' ' PHE . . . . . 0.594 ' CD1' ' HB2' ' H' ' 30' ' ' ALA . 2.0 t80 -167.99 123.79 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 74.109999999999999 110.882 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -126.72 108.59 11.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 73.450000000000003 110.863 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -106.31 109.2 21.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 74.019999999999996 110.862 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -114.83 101.47 9.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 71.109999999999999 110.893 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 83.4 p -145.48 174.63 10.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 55.200000000000003 110.909 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.16 -22.42 5.58 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 33.509999999999998 112.497 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -151.9 100.66 2.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 61.43 110.967 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.93 120.17 39.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 72.099999999999994 110.915 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 90.8 t -136.5 113.85 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 75.010000000000005 111.074 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -121.12 114.15 21.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 73.140000000000001 110.869 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -118.98 136.6 54.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 64.010000000000005 110.841 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.53 133.28 54.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 75.120000000000005 110.907 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.591 ' O ' HD22 ' C' ' 17' ' ' LEU . 4.4 tttp -123.76 115.61 21.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 74.150000000000006 110.904 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.664 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.5 mm? -127.93 102.73 6.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 71.239999999999995 110.903 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.851 HG12 ' HB2' ' C' ' 21' ' ' ALA . 1.3 t -111.97 114.46 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 55.210000000000001 111.088 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.479 ' HD2' HD12 ' D' ' 34' ' ' LEU . 2.9 m-85 -107.94 136.37 47.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 73.140000000000001 110.885 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.661 ' HE1' HG22 ' C' ' 31' ' ' ILE . 20.2 m-85 59.9 36.95 21.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 64.010000000000005 110.891 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 0.851 ' HB2' HG12 ' C' ' 18' ' ' VAL . . . -89.72 127.57 35.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 70.019999999999996 111.092 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.85 80.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 73.150000000000006 110.883 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 6.4 p -139.01 139.67 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 75.519999999999996 111.16 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.24 -46.34 91.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 65.219999999999999 112.494 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.69 146.1 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.913 0.387 . . . . 73.010000000000005 110.849 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.487 ' OD1' HG21 ' C' ' 31' ' ' ILE . 51.4 m-20 -100.61 104.08 15.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 74.319999999999993 110.9 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -114.54 159.91 19.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 72.400000000000006 110.922 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.69 -135.55 38.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 42.509999999999998 112.427 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.502 ' HB2' ' CD1' ' H' ' 4' ' ' PHE . . . -91.71 112.53 24.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.331 . . . . 73.030000000000001 111.087 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.661 HG22 ' HE1' ' C' ' 20' ' ' PHE . 0.4 OUTLIER -128.32 124.16 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 62.539999999999999 111.108 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.479 HG21 ' HG3' ' C' ' 35' ' ' MET . 7.6 mt -130.15 118.92 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 74.239999999999995 111.104 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.65 -57.23 9.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 62.420000000000002 112.496 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.853 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -153.89 149.9 27.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 64.230000000000004 110.921 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.479 ' HG3' HG21 ' C' ' 32' ' ' ILE . 8.2 mtp -129.14 122.52 30.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 71.129999999999995 110.825 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 1.024 HG11 HG11 ' H' ' 36' ' ' VAL . 42.0 t -124.38 112.28 31.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 63.340000000000003 111.115 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.09 30.18 16.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 72.549999999999997 112.489 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.74 -163.66 28.03 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.696 -0.764 . . . . 63.539999999999999 112.517 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.767 HG23 HG13 ' B' ' 39' ' ' VAL . 7.9 p -162.62 144.95 3.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.844 0.354 . . . . 75.299999999999997 111.176 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.599 HG22 HG12 ' B' ' 40' ' ' VAL . 28.0 m . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 73.340000000000003 111.108 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.796 0.331 . . . . 72.140000000000001 110.879 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.59 88.32 5.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 74.230000000000004 111.095 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -52.82 -32.01 41.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 72.409999999999997 110.877 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 4' ' ' PHE . . . . . 0.613 ' CD1' ' HB2' ' I' ' 30' ' ' ALA . 2.1 t80 -168.01 123.0 0.98 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 73.420000000000002 110.91 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -126.34 108.48 11.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 71.420000000000002 110.872 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -106.31 108.8 20.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 74.420000000000002 110.866 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -114.66 101.61 9.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 74.319999999999993 110.856 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 83.5 p -144.79 174.15 11.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 64.319999999999993 110.872 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.85 -22.26 5.74 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 54.340000000000003 112.483 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -152.12 99.63 2.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.358 . . . . 70.129999999999995 110.897 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -100.19 120.23 39.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 62.420000000000002 110.895 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 89.8 t -136.99 114.29 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 70.430000000000007 111.125 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -119.99 114.66 22.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 63.340000000000003 110.82 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -118.13 136.93 53.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 71.239999999999995 110.853 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.03 133.65 51.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 71.299999999999997 110.916 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 16' ' ' LYS . . . . . 0.653 ' O ' HD22 ' D' ' 17' ' ' LEU . 4.2 tttp -122.75 115.47 22.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 74.439999999999998 110.944 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.653 HD22 ' O ' ' D' ' 16' ' ' LYS . 4.6 mm? -130.04 101.93 6.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 74.400000000000006 110.92 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.82 HG12 ' HB2' ' D' ' 21' ' ' ALA . 0.6 OUTLIER -112.17 117.04 54.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 63.520000000000003 111.118 179.848 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.48 ' HD2' HD12 ' E' ' 34' ' ' LEU . 2.0 m-85 -108.89 136.25 48.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 71.439999999999998 110.901 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.585 ' HE1' HG22 ' D' ' 31' ' ' ILE . 18.7 m-85 58.55 35.76 24.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 74.030000000000001 110.872 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 21' ' ' ALA . . . . . 0.82 ' HB2' HG12 ' D' ' 18' ' ' VAL . . . -90.44 127.78 36.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 75.129999999999995 111.074 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.49 79.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 72.319999999999993 110.852 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.406 HG22 ' H ' ' D' ' 26' ' ' SER . 6.0 p -138.82 139.6 40.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 62.32 111.118 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.82 -46.26 90.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 65.349999999999994 112.511 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 26' ' ' SER . . . . . 0.406 ' H ' HG22 ' D' ' 24' ' ' VAL . 0.4 OUTLIER 179.99 144.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.86 0.362 . . . . 72.129999999999995 110.89 -179.732 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.45 ' HB3' HD13 ' D' ' 31' ' ' ILE . 54.5 m-20 -99.27 103.39 15.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 75.019999999999996 110.855 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -114.58 160.2 19.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 44.109999999999999 110.89 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.88 -135.97 38.33 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.752 -0.737 . . . . 45.420000000000002 112.463 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.512 ' HB2' ' CD1' ' I' ' 4' ' ' PHE . . . -92.36 112.87 24.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.755 0.312 . . . . 52.420000000000002 111.104 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.585 HG22 ' HE1' ' D' ' 20' ' ' PHE . 0.4 OUTLIER -128.85 125.15 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 63.32 111.104 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.562 HG21 ' HG3' ' D' ' 35' ' ' MET . 7.6 mt -129.42 118.96 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 72.209999999999994 111.119 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.08 -58.48 8.64 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.73 -0.748 . . . . 44.329999999999998 112.435 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.861 HD22 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -152.1 147.49 26.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.866 0.365 . . . . 74.329999999999998 110.917 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.562 ' HG3' HG21 ' D' ' 32' ' ' ILE . 9.1 mtp -128.84 122.36 30.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 73.040000000000006 110.854 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 1.028 HG11 HG11 ' I' ' 36' ' ' VAL . 40.2 t -126.31 111.91 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 73.239999999999995 111.164 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.11 28.97 19.99 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 73.540000000000006 112.505 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.55 -163.83 29.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 51.219999999999999 112.506 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.764 HG23 HG13 ' C' ' 39' ' ' VAL . 9.1 p -162.17 145.06 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 72.25 111.102 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.575 HG22 HG12 ' C' ' 40' ' ' VAL . 28.8 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 71.140000000000001 111.179 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.851 0.358 . . . . 74.409999999999997 110.919 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.02 89.69 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 74.530000000000001 111.095 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -51.84 -30.54 24.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 73.420000000000002 110.881 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 4' ' ' PHE . . . . . 0.644 ' CD1' ' HB2' ' J' ' 30' ' ' ALA . 2.1 t80 -166.61 125.58 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 73.239999999999995 110.87 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 7.6 mmm-85 -126.14 108.38 11.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 75.400000000000006 110.862 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -106.89 109.2 21.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 65.010000000000005 110.819 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -116.38 101.41 8.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 72.299999999999997 110.852 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 83.5 p -146.2 171.53 14.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 75.430000000000007 110.83 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.99 -21.15 6.44 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 70.200000000000003 112.488 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -151.06 98.6 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 74.120000000000005 110.958 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -100.23 120.12 39.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 60.119999999999997 110.906 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 84.0 t -137.4 114.22 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 73.25 111.107 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -119.24 113.66 21.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 70.150000000000006 110.819 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -118.1 135.68 54.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 62.5 110.789 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.84 137.91 52.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 63.520000000000003 110.908 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 16' ' ' LYS . . . . . 0.674 ' O ' HD22 ' E' ' 17' ' ' LEU . 4.2 tttp -123.93 114.81 20.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 75.109999999999999 110.861 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.674 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.6 mm? -130.54 101.44 5.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 62.25 110.931 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.802 HG12 ' HB2' ' E' ' 21' ' ' ALA . 0.2 OUTLIER -110.89 120.86 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 72.219999999999999 111.135 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.463 ' HE1' HD12 ' E' ' 17' ' ' LEU . 1.7 m-85 -111.53 136.2 51.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 51.530000000000001 110.89 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.501 ' HE1' HG22 ' E' ' 31' ' ' ILE . 20.5 m-85 55.27 35.06 24.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 63.25 110.886 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 21' ' ' ALA . . . . . 0.802 ' HB2' HG12 ' E' ' 18' ' ' VAL . . . -92.01 129.77 37.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 73.430000000000007 111.098 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 57.19 81.26 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 33.43 110.832 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.427 HG22 ' H ' ' E' ' 26' ' ' SER . 5.7 p -139.54 138.43 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 62.409999999999997 111.126 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.28 -45.39 88.53 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 65.219999999999999 112.519 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 26' ' ' SER . . . . . 0.427 ' H ' HG22 ' E' ' 24' ' ' VAL . 0.4 OUTLIER -179.92 141.68 0.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.875 0.369 . . . . 71.340000000000003 110.832 -179.71 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -98.25 101.16 12.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 72.549999999999997 110.918 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -114.77 161.35 18.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 73.349999999999994 110.91 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.69 -137.53 39.16 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.693 -0.765 . . . . 75.129999999999995 112.484 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.542 ' HB2' ' CE1' ' J' ' 4' ' ' PHE . . . -92.92 113.03 25.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 63.439999999999998 111.134 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.501 HG22 ' HE1' ' E' ' 20' ' ' PHE . 0.4 OUTLIER -128.75 125.3 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 60.329999999999998 111.132 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.622 HG21 ' HG3' ' E' ' 35' ' ' MET . 7.6 mt -125.84 118.16 51.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 74.530000000000001 111.131 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 33' ' ' GLY . . . . . 0.491 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -50.7 -55.6 16.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 43.310000000000002 112.443 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.828 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -152.77 150.1 29.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.34 . . . . 75.040000000000006 110.931 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.622 ' HG3' HG21 ' E' ' 32' ' ' ILE . 10.9 mtp -132.13 120.48 22.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 72.430000000000007 110.939 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.952 HG11 HG11 ' J' ' 36' ' ' VAL . 40.6 t -129.01 110.51 20.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 62.43 111.122 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.24 31.99 20.66 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.72 -0.752 . . . . 54.240000000000002 112.519 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.59 -162.83 25.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.716 -0.754 . . . . 44.409999999999997 112.491 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.754 HG23 HG13 ' D' ' 39' ' ' VAL . 12.1 p -161.59 145.79 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 73.450000000000003 111.111 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.546 ' CG2' HG12 ' D' ' 40' ' ' VAL . 29.8 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 74.010000000000005 111.154 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.863 0.363 . . . . 73.120000000000005 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.73 88.12 4.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 52.329999999999998 111.09 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -52.21 -33.53 41.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 73.239999999999995 110.905 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 4' ' ' PHE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 1.3 t80 -168.49 123.84 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 70.349999999999994 110.866 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -128.62 109.24 11.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 72.150000000000006 110.881 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -105.09 110.8 23.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 62.539999999999999 110.859 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -112.37 102.97 11.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 63.219999999999999 110.906 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 83.2 p -146.61 174.44 11.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 44.130000000000003 110.88 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.52 -22.97 5.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 71.420000000000002 112.473 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -151.44 101.39 2.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 54.299999999999997 110.903 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -99.77 120.08 39.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.501 . . . . 61.539999999999999 110.912 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 98.7 t -138.19 113.89 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 64.019999999999996 111.139 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -119.09 116.56 26.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 74.319999999999993 110.878 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -118.71 134.64 54.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 61.350000000000001 110.838 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.07 132.44 54.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 55.200000000000003 110.905 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 16' ' ' LYS . . . . . 0.544 ' C ' HD22 ' F' ' 17' ' ' LEU . 4.4 tttp -132.32 115.05 15.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 74.219999999999999 110.917 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.679 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.5 mm? -125.22 102.21 7.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 72.030000000000001 110.932 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.675 HG12 ' HB2' ' F' ' 21' ' ' ALA . 2.1 t -108.59 111.27 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 74.239999999999995 111.081 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.44 ' HD2' HD12 ' G' ' 34' ' ' LEU . 7.0 m-85 -103.01 140.76 36.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 75.239999999999995 110.882 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 20' ' ' PHE . . . . . 0.555 ' HE1' HG22 ' F' ' 31' ' ' ILE . 16.7 m-85 61.57 37.02 16.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 74.409999999999997 110.902 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 21' ' ' ALA . . . . . 0.675 ' HB2' HG12 ' F' ' 18' ' ' VAL . . . -89.48 127.78 35.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 45.240000000000002 111.158 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.03 77.28 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 74.010000000000005 110.91 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 5.8 p -139.0 140.68 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 74.299999999999997 111.134 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.74 -46.91 93.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.735 . . . . 50.210000000000001 112.489 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.19 146.2 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.384 . . . . 71.040000000000006 110.84 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 27' ' ' ASN . . . . . 0.484 ' HB3' HD13 ' F' ' 31' ' ' ILE . 35.2 m-20 -99.35 104.14 16.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 61.119999999999997 110.878 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -113.52 159.29 19.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 72.340000000000003 110.85 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.23 -138.63 31.31 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 32.420000000000002 112.497 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.543 ' HB2' ' CD1' ' A' ' 4' ' ' PHE . . . -90.49 112.81 24.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.774 0.321 . . . . 53.229999999999997 111.052 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.555 HG22 ' HE1' ' F' ' 20' ' ' PHE . 0.2 OUTLIER -129.38 129.51 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 74.150000000000006 111.155 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 8.6 mt -134.1 119.22 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 74.439999999999998 111.158 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.66 -56.59 7.28 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.748 . . . . 71.219999999999999 112.523 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.841 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -158.44 151.62 22.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.763 0.316 . . . . 74.530000000000001 110.93 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 7.6 mtp -129.09 123.66 32.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 74.349999999999994 110.91 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.932 HG11 HG11 ' A' ' 36' ' ' VAL . 25.6 t -123.22 113.04 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 45.439999999999998 111.134 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.94 28.67 40.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 72.150000000000006 112.525 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.58 -163.47 25.25 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.764 -0.732 . . . . 52.509999999999998 112.524 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.755 HG13 HG23 ' G' ' 39' ' ' VAL . 11.9 p -164.71 146.73 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 73.439999999999998 111.13 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.581 HG12 ' CG2' ' G' ' 40' ' ' VAL . 29.7 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 73.5 111.138 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.852 0.358 . . . . 60.240000000000002 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.96 89.36 3.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 71.439999999999998 111.091 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -50.99 -30.58 15.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 45.530000000000001 110.885 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 4' ' ' PHE . . . . . 0.497 ' CD1' ' HB2' ' B' ' 30' ' ' ALA . 1.4 t80 -167.44 124.85 1.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 71.400000000000006 110.92 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 8.1 mmm-85 -127.0 108.5 10.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 75.310000000000002 110.863 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -105.97 108.95 20.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 72.239999999999995 110.823 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -113.52 101.95 9.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 54.119999999999997 110.881 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 83.4 p -146.13 174.27 11.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 62.119999999999997 110.837 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.92 -22.55 5.62 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 73.319999999999993 112.499 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -151.77 101.25 2.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.916 0.389 . . . . 74.530000000000001 110.924 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.86 119.94 38.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 72.129999999999995 110.93 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 90.7 t -136.44 113.85 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 75.439999999999998 111.127 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -120.85 114.81 22.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 65.219999999999999 110.872 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -119.18 135.82 54.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 74.329999999999998 110.874 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.83 132.56 54.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 70.019999999999996 110.92 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 16' ' ' LYS . . . . . 0.562 ' O ' HD22 ' G' ' 17' ' ' LEU . 4.5 tttp -126.67 115.68 19.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 74.329999999999998 110.86 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.679 HD13 ' HB2' ' F' ' 17' ' ' LEU . 4.5 mm? -126.64 102.29 7.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 44.539999999999999 110.909 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.849 HG12 ' HB2' ' G' ' 21' ' ' ALA . 1.5 t -109.78 113.45 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 72.109999999999999 111.096 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.475 ' CE1' HD12 ' G' ' 17' ' ' LEU . 4.6 m-85 -107.56 136.86 46.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.899 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 0.657 ' HE1' HG22 ' G' ' 31' ' ' ILE . 19.5 m-85 60.95 36.36 18.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 42.119999999999997 110.865 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 21' ' ' ALA . . . . . 0.849 ' HB2' HG12 ' G' ' 18' ' ' VAL . . . -89.5 126.77 35.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 73.340000000000003 111.071 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.39 78.79 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 72.420000000000002 110.922 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 p -139.24 140.25 38.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 64.340000000000003 111.152 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.37 -45.95 94.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 53.399999999999999 112.452 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.1 145.29 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.372 . . . . 63.439999999999998 110.867 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 27' ' ' ASN . . . . . 0.507 ' OD1' HG21 ' G' ' 31' ' ' ILE . 52.4 m-20 -100.18 104.12 15.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 74.030000000000001 110.888 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -113.82 160.79 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 73.140000000000001 110.911 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.45 -136.22 31.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 72.430000000000007 112.46 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.588 ' HB2' ' CD1' ' B' ' 4' ' ' PHE . . . -90.03 112.75 24.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.329 . . . . 63.409999999999997 111.094 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.657 HG22 ' HE1' ' G' ' 20' ' ' PHE . 0.5 OUTLIER -127.36 125.76 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 62.420000000000002 111.156 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.413 HG21 ' HG3' ' G' ' 35' ' ' MET . 9.0 mt -132.56 119.01 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 73.120000000000005 111.097 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.15 -57.18 10.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.723 -0.751 . . . . 44.32 112.482 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.854 HD22 ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -155.36 151.36 27.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.846 0.355 . . . . 64.409999999999997 110.907 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.413 ' HG3' HG21 ' G' ' 32' ' ' ILE . 7.5 mtp -129.55 122.54 29.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 74.239999999999995 110.922 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.994 HG11 HG11 ' B' ' 36' ' ' VAL . 38.4 t -123.58 112.58 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 73.209999999999994 111.168 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.1 29.3 20.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.76 . . . . 73.230000000000004 112.513 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.24 -164.04 27.54 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 64.010000000000005 112.506 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.765 HG13 HG23 ' H' ' 39' ' ' VAL . 8.5 p -163.1 145.57 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.368 . . . . 65.209999999999994 111.149 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.582 HG12 ' CG2' ' H' ' 40' ' ' VAL . 28.8 m . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 70.420000000000002 111.138 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.858 0.361 . . . . 71.209999999999994 110.863 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.71 89.35 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 71.519999999999996 111.114 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.55 -31.02 22.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 62.219999999999999 110.872 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 4' ' ' PHE . . . . . 0.502 ' CD1' ' HB2' ' C' ' 30' ' ' ALA . 1.3 t80 -168.42 124.66 1.01 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 75.129999999999995 110.871 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -127.34 108.38 10.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 64.340000000000003 110.899 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -106.04 108.65 20.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 74.430000000000007 110.825 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -113.88 101.86 9.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 72.329999999999998 110.843 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 83.4 p -145.02 174.32 11.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 55.420000000000002 110.838 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.94 -22.23 5.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 64.150000000000006 112.504 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -152.16 100.62 2.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 72.219999999999999 110.947 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.94 120.11 39.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 74.409999999999997 110.873 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 86.7 t -136.15 114.13 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 72.439999999999998 111.097 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -120.94 114.07 21.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 53.409999999999997 110.865 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -118.84 136.18 54.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 74.439999999999998 110.839 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.07 132.98 54.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 75.310000000000002 110.903 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 16' ' ' LYS . . . . . 0.6 ' O ' HD22 ' H' ' 17' ' ' LEU . 4.3 tttp -123.87 115.57 21.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 62.119999999999997 110.912 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.644 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.5 mm? -128.23 101.59 6.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 75.120000000000005 110.94 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.858 HG12 ' HB2' ' H' ' 21' ' ' ALA . 1.2 t -111.09 114.59 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 52.520000000000003 111.141 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.468 ' HD2' HD12 ' I' ' 34' ' ' LEU . 3.0 m-85 -108.22 136.32 48.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 75.109999999999999 110.906 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 20' ' ' PHE . . . . . 0.644 ' HE1' HG22 ' H' ' 31' ' ' ILE . 20.0 m-85 59.76 36.84 22.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 72.109999999999999 110.857 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 21' ' ' ALA . . . . . 0.858 ' HB2' HG12 ' H' ' 18' ' ' VAL . . . -89.54 127.73 35.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 73.200000000000003 111.106 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.63 80.28 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 72.400000000000006 110.889 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 6.4 p -138.65 139.68 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 74.319999999999993 111.152 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.59 -46.36 92.18 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.763 -0.732 . . . . 44.43 112.486 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.39 144.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 75.310000000000002 110.877 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 27' ' ' ASN . . . . . 0.437 ' OD1' HG21 ' H' ' 31' ' ' ILE . 53.5 m-20 -100.26 103.22 14.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 74.430000000000007 110.917 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -113.81 160.81 18.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 75.540000000000006 110.935 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.34 -137.07 34.54 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.725 -0.75 . . . . 44.350000000000001 112.438 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 30' ' ' ALA . . . . . 0.594 ' HB2' ' CD1' ' C' ' 4' ' ' PHE . . . -90.68 112.73 24.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.753 0.311 . . . . 51.450000000000003 111.113 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.644 HG22 ' HE1' ' H' ' 20' ' ' PHE . 0.4 OUTLIER -128.06 125.64 64.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 74.239999999999995 111.186 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' H' H ' 32' ' ' ILE . . . . . 0.464 HG21 ' HG3' ' H' ' 35' ' ' MET . 7.9 mt -130.7 118.64 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 60.439999999999998 111.12 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.6 -57.81 9.02 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.737 -0.744 . . . . 74.299999999999997 112.468 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.856 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -153.58 149.89 28.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 73.310000000000002 110.913 -179.888 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' H' H ' 35' ' ' MET . . . . . 0.464 ' HG3' HG21 ' H' ' 32' ' ' ILE . 8.3 mtp -129.08 122.02 29.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 74.109999999999999 110.872 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 1.024 HG11 HG11 ' C' ' 36' ' ' VAL . 40.1 t -123.9 111.57 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 53.340000000000003 111.159 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.33 30.29 18.11 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.716 -0.754 . . . . 54.140000000000001 112.464 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.48 -163.74 28.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.675 -0.774 . . . . 54.030000000000001 112.484 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.765 HG23 HG13 ' G' ' 39' ' ' VAL . 8.3 p -162.43 145.35 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 75.540000000000006 111.094 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' H' H ' 40' ' ' VAL . . . . . 0.582 ' CG2' HG12 ' G' ' 40' ' ' VAL . 29.4 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 73.340000000000003 111.169 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.798 0.332 . . . . 61.530000000000001 110.889 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.0 88.26 4.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 61.140000000000001 111.061 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -51.5 -31.74 24.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 73.299999999999997 110.878 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 4' ' ' PHE . . . . . 0.512 ' CD1' ' HB2' ' D' ' 30' ' ' ALA . 1.3 t80 -168.3 124.19 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 75.030000000000001 110.875 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -127.42 108.11 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 72.310000000000002 110.873 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -105.98 108.59 20.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 71.030000000000001 110.85 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -114.15 101.92 9.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 72.140000000000001 110.859 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 83.7 p -144.34 173.93 11.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 43.32 110.851 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.72 -22.24 5.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.706 -0.759 . . . . 70.040000000000006 112.483 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -152.1 99.24 2.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.85 0.357 . . . . 72.519999999999996 110.908 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.72 120.28 39.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 54.32 110.867 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 86.3 t -137.19 114.29 12.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 63.25 111.107 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -119.9 114.61 22.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 61.399999999999999 110.844 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -117.81 136.81 53.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 62.509999999999998 110.903 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.8 133.37 52.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 75.099999999999994 110.904 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 16' ' ' LYS . . . . . 0.669 ' O ' HD22 ' I' ' 17' ' ' LEU . 4.2 tttp -122.67 115.41 22.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 62.509999999999998 110.899 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.669 HD22 ' O ' ' I' ' 16' ' ' LYS . 4.6 mm? -130.34 101.02 5.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 70.510000000000005 110.896 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 18' ' ' VAL . . . . . 0.84 HG12 ' HB2' ' I' ' 21' ' ' ALA . 0.7 OUTLIER -111.89 117.23 54.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 73.150000000000006 111.14 179.825 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' I' I ' 19' ' ' PHE . . . . . 0.462 ' HD2' HD12 ' J' ' 34' ' ' LEU . 2.0 m-85 -109.23 136.54 48.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 75.519999999999996 110.885 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 20' ' ' PHE . . . . . 0.565 ' HE1' HG22 ' I' ' 31' ' ' ILE . 18.6 m-85 58.46 35.68 24.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 74.519999999999996 110.891 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 21' ' ' ALA . . . . . 0.84 ' HB2' HG12 ' I' ' 18' ' ' VAL . . . -90.21 127.47 36.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 65.439999999999998 111.085 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.54 81.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 72.230000000000004 110.838 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 p -138.83 139.23 41.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 40.32 111.161 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.23 -45.72 92.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.716 -0.754 . . . . 64.209999999999994 112.443 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.4 143.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.383 . . . . 61.32 110.866 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 27' ' ' ASN . . . . . 0.414 ' HB3' HD13 ' I' ' 31' ' ' ILE . 55.2 m-20 -100.07 101.43 12.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 74.420000000000002 110.866 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -114.02 161.19 18.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 75.420000000000002 110.921 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.49 -138.07 37.45 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.729 -0.748 . . . . 54.530000000000001 112.512 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.613 ' HB2' ' CD1' ' D' ' 4' ' ' PHE . . . -91.3 112.89 24.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.733 0.302 . . . . 74.200000000000003 111.126 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.565 HG22 ' HE1' ' I' ' 20' ' ' PHE . 0.4 OUTLIER -128.94 126.44 64.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 74.540000000000006 111.145 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' I' I ' 32' ' ' ILE . . . . . 0.539 HG21 ' HG3' ' I' ' 35' ' ' MET . 7.6 mt -129.71 119.06 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 72.239999999999995 111.089 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.03 -59.12 7.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 72.329999999999998 112.525 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.863 HD22 ' O ' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -151.91 147.61 26.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.77 0.319 . . . . 75.200000000000003 110.962 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' I' I ' 35' ' ' MET . . . . . 0.539 ' HG3' HG21 ' I' ' 32' ' ' ILE . 9.1 mtp -129.05 122.05 29.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 74.329999999999998 110.917 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 1.028 HG11 HG11 ' D' ' 36' ' ' VAL . 39.6 t -126.13 111.37 26.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.437 . . . . 63.109999999999999 111.131 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.33 29.52 23.03 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 63.340000000000003 112.499 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.83 -163.46 28.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.73 . . . . 52.219999999999999 112.53 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 0.763 HG13 HG23 ' J' ' 39' ' ' VAL . 10.5 p -162.15 145.42 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.362 . . . . 54.520000000000003 111.143 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' I' I ' 40' ' ' VAL . . . . . 0.569 HG22 HG12 ' H' ' 40' ' ' VAL . 29.0 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 71.030000000000001 111.129 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.819 0.342 . . . . 63.009999999999998 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.07 88.94 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 64.049999999999997 111.098 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -51.53 -32.51 28.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 64.239999999999995 110.887 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 4' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' E' ' 30' ' ' ALA . 1.1 t80 -168.03 125.12 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 64.349999999999994 110.819 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -127.88 108.5 10.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 72.329999999999998 110.854 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -106.87 108.75 20.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 73.140000000000001 110.858 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -115.03 102.07 9.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 72.019999999999996 110.916 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 83.7 p -145.32 170.76 15.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 71.109999999999999 110.888 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.12 -21.35 6.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.76 . . . . 75.120000000000005 112.51 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -151.36 97.64 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 62.409999999999997 110.918 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -99.98 119.96 39.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.506 . . . . 65.540000000000006 110.853 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 87.2 t -137.65 114.29 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 75.239999999999995 111.121 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -118.79 113.71 21.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 64.239999999999995 110.848 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -117.99 135.35 54.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 63.140000000000001 110.844 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.51 138.13 52.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 74.510000000000005 110.883 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 16' ' ' LYS . . . . . 0.681 ' O ' HD22 ' J' ' 17' ' ' LEU . 4.2 tttp -124.02 114.84 20.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 61.32 110.916 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.681 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.6 mm? -130.37 100.9 5.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 74.510000000000005 110.904 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.758 HG12 ' HB2' ' J' ' 21' ' ' ALA . 0.2 OUTLIER -110.79 121.17 63.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 61.229999999999997 111.121 179.836 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.442 ' HE1' HD12 ' J' ' 17' ' ' LEU . 1.6 m-85 -111.94 136.03 51.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 73.219999999999999 110.905 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 20' ' ' PHE . . . . . 0.478 ' HE1' HG22 ' J' ' 31' ' ' ILE . 20.3 m-85 55.57 35.23 24.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 73.209999999999994 110.89 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 21' ' ' ALA . . . . . 0.758 ' HB2' HG12 ' J' ' 18' ' ' VAL . . . -92.02 129.99 37.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 74.310000000000002 111.072 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 57.21 81.76 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 73.340000000000003 110.842 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.434 HG22 ' H ' ' J' ' 26' ' ' SER . 5.6 p -139.03 137.63 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 62.439999999999998 111.143 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.89 -44.45 92.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.791 -0.718 . . . . 71.049999999999997 112.486 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 26' ' ' SER . . . . . 0.434 ' H ' HG22 ' J' ' 24' ' ' VAL . 0.4 OUTLIER -179.2 139.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 72.030000000000001 110.885 -179.753 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -98.94 99.36 10.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 70.430000000000007 110.901 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -114.86 163.54 15.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 74.409999999999997 110.861 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.22 -140.02 36.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.786 -0.721 . . . . 72.319999999999993 112.435 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 0.644 ' HB2' ' CD1' ' E' ' 4' ' ' PHE . . . -91.73 112.81 24.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.748 0.309 . . . . 73.030000000000001 111.08 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.478 HG22 ' HE1' ' J' ' 20' ' ' PHE . 0.4 OUTLIER -128.63 127.21 66.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 73.049999999999997 111.114 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' J' J ' 32' ' ' ILE . . . . . 0.625 HG21 ' HG3' ' J' ' 35' ' ' MET . 7.9 mt -126.87 117.87 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.099999999999994 111.153 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 33' ' ' GLY . . . . . 0.48 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -50.48 -56.71 12.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 63.210000000000001 112.452 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.828 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -152.36 149.68 28.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.839 0.352 . . . . 62.399999999999999 110.886 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' J' J ' 35' ' ' MET . . . . . 0.625 ' HG3' HG21 ' J' ' 32' ' ' ILE . 10.6 mtp -132.55 120.37 21.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 73.310000000000002 110.839 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.952 HG11 HG11 ' E' ' 36' ' ' VAL . 35.2 t -129.35 110.38 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 74.200000000000003 111.175 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.23 31.21 26.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 65.439999999999998 112.502 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.52 -162.9 25.28 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.719 -0.753 . . . . 73.420000000000002 112.474 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.763 HG23 HG13 ' I' ' 39' ' ' VAL . 13.9 p -161.54 147.08 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 60.350000000000001 111.168 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.449 HG22 HG12 ' I' ' 40' ' ' VAL . 29.1 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 72.439999999999998 111.114 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.782 0.325 . . . . 72.150000000000006 110.866 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.24 82.89 2.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 75.519999999999996 111.116 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -53.14 -48.17 68.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 64.530000000000001 110.924 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -147.9 115.45 6.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 71.109999999999999 110.883 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -133.33 109.01 9.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 70.450000000000003 110.872 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -104.61 109.96 22.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 72.420000000000002 110.825 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -111.13 102.24 10.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 74.230000000000004 110.9 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 t -148.91 174.53 12.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 74.310000000000002 110.821 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.42 -7.4 30.27 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.702 -0.761 . . . . 74.230000000000004 112.496 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' TYR . . . . . 0.434 ' HD1' HG23 ' A' ' 12' ' ' VAL . 1.3 t80 -171.54 112.1 0.33 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.807 0.337 . . . . 73.439999999999998 110.929 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -104.84 119.66 39.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 64.519999999999996 110.872 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.434 HG23 ' HD1' ' A' ' 10' ' ' TYR . 62.0 t -133.36 113.57 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 61.310000000000002 111.123 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.1 m170 -120.24 113.76 20.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 64.319999999999993 110.846 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -124.75 133.14 53.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 63.310000000000002 110.852 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.05 132.98 55.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 74.140000000000001 110.944 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.566 ' C ' HD22 ' A' ' 17' ' ' LEU . 5.3 tttp -130.04 115.91 17.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 70.510000000000005 110.899 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.729 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.5 mm? -126.71 101.05 6.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 63.009999999999998 110.938 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.1 t -108.88 114.54 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 74.25 111.146 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.64 ' CZ ' HD12 ' A' ' 17' ' ' LEU . 8.5 m-85 -117.75 109.87 17.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 73.329999999999998 110.869 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 60.38 78.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 72.200000000000003 110.938 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.52 118.55 32.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 74.450000000000003 111.141 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 64.09 107.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 74.310000000000002 110.892 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.736 HG11 ' OD1' ' A' ' 27' ' ' ASN . 92.9 t -124.38 126.19 71.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 63.149999999999999 111.12 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.22 -51.85 56.3 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 54.420000000000002 112.493 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -149.61 121.42 8.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 73.439999999999998 110.871 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.736 ' OD1' HG11 ' A' ' 24' ' ' VAL . 16.6 m-20 -94.94 101.82 13.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 74.049999999999997 110.853 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' LYS . . . . . 0.597 ' O ' HD11 ' A' ' 31' ' ' ILE . 4.0 tptp -115.88 133.97 55.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 73.25 110.875 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.2 -143.18 28.23 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 61.200000000000003 112.505 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.613 ' C ' HD13 ' A' ' 31' ' ' ILE . . . -84.11 115.28 22.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.758 0.313 . . . . 74.109999999999999 111.128 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.625 HG21 ' OD1' ' A' ' 27' ' ' ASN . 2.7 mm -120.56 110.54 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 71.5 111.103 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.8 mt -130.05 118.85 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 73.450000000000003 111.136 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.11 -44.39 42.4 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.776 -0.726 . . . . 43.409999999999997 112.509 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 1.041 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -171.95 151.81 2.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.784 0.326 . . . . 73.200000000000003 110.895 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.886 ' N ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -114.34 119.86 38.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 74.430000000000007 110.91 179.787 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 36' ' ' VAL . 4.2 p -136.31 117.76 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 71.120000000000005 111.138 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.53 15.8 47.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 40.210000000000001 112.477 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.72 -168.17 15.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.729 . . . . 73.219999999999999 112.536 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.652 ' O ' HG23 ' B' ' 39' ' ' VAL . 4.0 p -168.86 130.83 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.887 0.375 . . . . 74.109999999999999 111.152 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.678 ' HA ' HG22 ' B' ' 40' ' ' VAL . 36.0 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 65.310000000000002 111.141 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.849 0.357 . . . . 73.040000000000006 110.88 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.72 82.51 2.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 54.119999999999997 111.131 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -52.79 -47.42 67.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 73.409999999999997 110.853 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.24 115.1 6.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 71.239999999999995 110.884 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -131.27 109.03 10.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 74.049999999999997 110.917 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -103.75 109.1 20.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 72.420000000000002 110.891 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -111.6 102.05 10.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 72.129999999999995 110.831 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 7.0 t -148.35 174.52 11.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 75.129999999999995 110.851 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.31 -8.49 30.98 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.788 -0.72 . . . . 50.200000000000003 112.489 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.409 ' HD1' HG23 ' B' ' 12' ' ' VAL . 1.5 t80 -172.39 112.35 0.27 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 72.019999999999996 110.927 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -104.32 119.65 39.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 64.450000000000003 110.894 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.409 HG23 ' HD1' ' B' ' 10' ' ' TYR . 61.2 t -130.57 113.66 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 53.219999999999999 111.148 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -120.83 113.94 20.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 71.120000000000005 110.894 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -125.89 134.15 51.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 72.209999999999994 110.846 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.88 133.03 55.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 75.519999999999996 110.921 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.627 ' C ' HD22 ' B' ' 17' ' ' LEU . 5.4 tttp -125.54 117.16 22.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 61.350000000000001 110.886 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.799 ' HB2' HD13 ' C' ' 17' ' ' LEU . 4.4 mm? -126.63 102.06 6.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 74.420000000000002 110.935 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 89.3 t -108.63 112.95 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 64.219999999999999 111.115 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.621 ' CZ ' HD12 ' B' ' 17' ' ' LEU . 6.9 m-85 -118.25 105.97 12.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 72.230000000000004 110.858 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.569 ' CZ ' HG22 ' A' ' 31' ' ' ILE . 3.9 m-30 60.12 80.65 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 74.209999999999994 110.89 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.67 116.92 29.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 65.109999999999999 111.092 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 64.4 108.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 60.119999999999997 110.87 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.72 HG11 ' OD1' ' B' ' 27' ' ' ASN . 87.8 t -125.19 125.58 69.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 63.119999999999997 111.167 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.55 -51.26 58.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 64.349999999999994 112.487 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -148.93 122.72 9.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.91 0.385 . . . . 51.340000000000003 110.845 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.72 ' OD1' HG11 ' B' ' 24' ' ' VAL . 14.8 m-20 -94.79 100.68 12.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 75.25 110.879 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 28' ' ' LYS . . . . . 0.563 ' O ' HD11 ' B' ' 31' ' ' ILE . 4.4 tptp -117.94 135.76 53.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 72.030000000000001 110.859 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.05 -142.15 27.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.778 -0.725 . . . . 70.109999999999999 112.484 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.582 ' C ' HD13 ' B' ' 31' ' ' ILE . . . -83.67 114.48 21.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.742 0.306 . . . . 34.200000000000003 111.131 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.626 HG21 ' OD1' ' B' ' 27' ' ' ASN . 2.8 mm -119.08 107.67 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 74.349999999999994 111.187 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 32.4 mt -127.9 119.7 52.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 64.340000000000003 111.107 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.52 -43.84 53.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 41.020000000000003 112.512 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 1.008 HD13 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -171.85 150.28 2.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.845 0.355 . . . . 74.040000000000006 110.892 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.85 ' N ' HD22 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -114.06 116.16 28.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 74.019999999999996 110.894 179.798 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.45 HG13 ' HA ' ' C' ' 36' ' ' VAL . 4.0 p -136.57 117.8 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 53.439999999999998 111.112 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.06 17.0 43.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 62.399999999999999 112.525 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.24 -170.03 16.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.715 -0.755 . . . . 64.120000000000005 112.491 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.694 ' O ' HG23 ' C' ' 39' ' ' VAL . 3.8 p -169.14 131.17 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.892 0.377 . . . . 71.129999999999995 111.103 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.704 ' HA ' HG22 ' C' ' 40' ' ' VAL . 30.1 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 73.420000000000002 111.137 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.837 0.351 . . . . 64.310000000000002 110.855 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.01 82.06 2.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 63.539999999999999 111.088 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -53.1 -46.75 68.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 73.129999999999995 110.857 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.58 114.73 6.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 72.319999999999993 110.912 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -131.73 109.03 9.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 73.140000000000001 110.875 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -103.89 108.9 20.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 64.019999999999996 110.816 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -111.96 102.05 10.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 64.010000000000005 110.837 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 6.9 t -146.91 174.35 11.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 72.530000000000001 110.897 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.65 -8.99 31.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.718 -0.754 . . . . 63.210000000000001 112.496 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.61 112.53 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 75.439999999999998 110.895 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 11' ' ' GLU . . . . . 0.437 ' HG3' ' CE1' ' C' ' 13' ' ' HIS . 22.0 tt0 -104.84 119.83 39.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 75.129999999999995 110.858 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 55.4 t -129.98 113.53 26.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 63.439999999999998 111.113 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 13' ' ' HIS . . . . . 0.437 ' CE1' ' HG3' ' C' ' 11' ' ' GLU . 5.9 m-70 -120.46 113.39 20.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 72.120000000000005 110.846 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -125.63 134.01 52.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 45.43 110.844 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.83 133.59 54.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 73.200000000000003 110.887 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.618 ' C ' HD22 ' C' ' 17' ' ' LEU . 5.5 tttp -123.51 116.63 23.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 70.420000000000002 110.941 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.799 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.4 mm? -126.94 101.1 6.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 64.310000000000002 110.909 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 86.9 t -108.89 112.44 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 74.140000000000001 111.139 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.632 ' CZ ' HD12 ' C' ' 17' ' ' LEU . 5.7 m-85 -116.68 106.3 13.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 73.329999999999998 110.907 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.608 ' CZ ' HG22 ' B' ' 31' ' ' ILE . 4.0 m-30 59.82 81.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.109999999999999 110.865 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.04 115.77 28.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 51.32 111.111 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.29 108.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 64.219999999999999 110.881 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.717 HG11 ' OD1' ' C' ' 27' ' ' ASN . 94.3 t -125.02 125.4 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 71.109999999999999 111.11 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.73 -50.57 62.87 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.776 -0.726 . . . . 74.230000000000004 112.495 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -149.2 122.7 9.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.886 0.374 . . . . 71.030000000000001 110.867 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.717 ' OD1' HG11 ' C' ' 24' ' ' VAL . 15.0 m-20 -94.39 100.49 12.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 62.140000000000001 110.91 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 28' ' ' LYS . . . . . 0.528 ' O ' HD11 ' C' ' 31' ' ' ILE . 4.6 tptp -119.23 136.76 54.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 74.209999999999994 110.869 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.32 -142.01 26.61 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.766 -0.731 . . . . 55.109999999999999 112.505 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.556 ' C ' HD13 ' C' ' 31' ' ' ILE . . . -82.95 113.74 20.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.795 0.331 . . . . 71.129999999999995 111.082 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.609 HG22 ' CZ ' ' D' ' 20' ' ' PHE . 3.0 mm -118.06 106.98 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 62.420000000000002 111.194 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 25.7 mt -127.64 119.74 52.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 74.140000000000001 111.128 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.85 -44.72 55.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 34.43 112.485 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.946 HD13 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -170.76 149.17 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.853 0.358 . . . . 72.400000000000006 110.899 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.801 ' N ' HD22 ' C' ' 34' ' ' LEU . 0.0 OUTLIER -115.17 114.1 24.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 72.400000000000006 110.895 179.851 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.589 HG12 HD21 ' C' ' 34' ' ' LEU . 4.6 p -135.64 117.32 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 74.439999999999998 111.119 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.76 17.7 43.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 54.409999999999997 112.468 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.08 -170.57 17.06 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 50.130000000000003 112.483 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.694 HG23 ' O ' ' B' ' 39' ' ' VAL . 3.4 p -169.58 131.06 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.856 0.36 . . . . 62.219999999999999 111.113 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.704 HG22 ' HA ' ' B' ' 40' ' ' VAL . 27.3 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 73.540000000000006 111.159 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.875 0.369 . . . . 74.549999999999997 110.855 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.86 81.73 2.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 75.340000000000003 111.143 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.63 -45.21 66.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 53.530000000000001 110.865 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.11 114.84 6.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 72.450000000000003 110.865 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -131.62 109.09 9.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 75.310000000000002 110.852 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -104.28 108.71 20.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 75.340000000000003 110.839 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -112.55 102.22 10.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 74.549999999999997 110.906 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t -146.24 173.66 12.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 75.340000000000003 110.848 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.81 -8.66 31.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.755 -0.735 . . . . 72.230000000000004 112.488 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.3 111.26 0.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.851 0.358 . . . . 73.439999999999998 110.951 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -104.61 119.85 39.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 74.099999999999994 110.87 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 56.3 t -130.43 113.3 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 60.5 111.134 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -120.88 113.04 19.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 73.129999999999995 110.881 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -126.36 132.82 51.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 75.439999999999998 110.876 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.95 135.0 54.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 75.349999999999994 110.927 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 16' ' ' LYS . . . . . 0.603 ' C ' HD22 ' D' ' 17' ' ' LEU . 5.4 tttp -122.39 117.29 25.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 42.039999999999999 110.9 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.719 HD13 ' HB2' ' C' ' 17' ' ' LEU . 4.6 mm? -127.99 100.71 6.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 70.019999999999996 110.913 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 87.8 t -108.59 113.58 44.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 73.0 111.117 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.616 ' CZ ' HD12 ' D' ' 17' ' ' LEU . 5.2 m-85 -115.52 106.94 14.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 64.040000000000006 110.882 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.609 ' CZ ' HG22 ' C' ' 31' ' ' ILE . 4.0 m-30 59.69 81.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 74.010000000000005 110.852 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.11 115.45 27.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 72.510000000000005 111.08 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.42 108.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 74.200000000000003 110.867 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.699 HG11 ' OD1' ' D' ' 27' ' ' ASN . 92.5 t -125.28 124.43 67.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 53.439999999999998 111.105 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.38 -50.35 63.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.694 -0.765 . . . . 50.039999999999999 112.528 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -149.71 123.12 9.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 50.240000000000002 110.875 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.699 ' OD1' HG11 ' D' ' 24' ' ' VAL . 14.0 m-20 -93.67 100.0 12.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 53.450000000000003 110.91 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 28' ' ' LYS . . . . . 0.487 ' O ' HD11 ' D' ' 31' ' ' ILE . 4.3 tptp -120.1 138.2 53.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 74.450000000000003 110.939 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.62 -141.31 25.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.747 . . . . 43.229999999999997 112.469 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.505 ' HA ' ' HB3' ' E' ' 30' ' ' ALA . . . -82.79 113.34 20.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.753 0.311 . . . . 63.119999999999997 111.117 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.615 HG22 ' CZ ' ' E' ' 20' ' ' PHE . 4.9 mm -117.19 107.62 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 73.310000000000002 111.148 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 25.6 mt -127.84 118.17 48.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 61.140000000000001 111.152 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.09 -45.29 51.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.74 . . . . 61.399999999999999 112.488 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.887 HD13 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -170.83 146.26 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 75.140000000000001 110.921 -179.846 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.722 ' N ' HD22 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -116.36 113.83 23.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 72.530000000000001 110.873 179.816 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.745 HG12 HD21 ' D' ' 34' ' ' LEU . 3.4 p -135.24 115.64 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 73.340000000000003 111.161 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.61 18.15 43.84 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.784 -0.722 . . . . 72.310000000000002 112.504 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.33 -169.54 18.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.788 -0.72 . . . . 75.409999999999997 112.543 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.686 HG23 ' O ' ' C' ' 39' ' ' VAL . 3.4 p -168.87 131.03 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 74.430000000000007 111.121 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.697 HG22 ' HA ' ' C' ' 40' ' ' VAL . 32.9 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 72.349999999999994 111.155 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.836 0.35 . . . . 73.540000000000006 110.842 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.16 82.67 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 62.039999999999999 111.075 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -51.67 -45.75 63.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 73.310000000000002 110.861 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -146.21 115.75 7.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 74.400000000000006 110.871 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -128.95 109.1 10.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 74.409999999999997 110.876 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -103.83 108.74 20.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 72.450000000000003 110.887 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -113.03 102.18 10.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 72.540000000000006 110.839 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 7.0 t -147.32 171.13 15.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 53.310000000000002 110.867 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.09 -8.19 34.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 75.400000000000006 112.517 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -171.85 109.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 73.310000000000002 110.932 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -105.46 120.13 40.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 74.239999999999995 110.843 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 55.4 t -130.16 113.64 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 62.039999999999999 111.137 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -120.45 112.86 19.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 62.43 110.816 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -127.1 134.09 50.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 70.150000000000006 110.833 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.42 139.0 54.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 64.510000000000005 110.931 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 16' ' ' LYS . . . . . 0.539 ' C ' HD22 ' E' ' 17' ' ' LEU . 5.5 tttp -122.39 115.72 22.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 65.5 110.902 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.573 HD13 ' HB2' ' D' ' 17' ' ' LEU . 4.5 mm? -127.61 101.87 6.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 70.310000000000002 110.921 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 86.3 t -108.3 114.43 46.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 62.130000000000003 111.117 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.511 ' CE1' HD12 ' E' ' 17' ' ' LEU . 5.5 m-85 -114.36 105.63 13.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 71.319999999999993 110.882 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.615 ' CZ ' HG22 ' D' ' 31' ' ' ILE . 4.3 m-30 59.02 81.87 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 74.049999999999997 110.856 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.07 113.95 25.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 41.409999999999997 111.101 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 63.93 108.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 75.040000000000006 110.887 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.71 HG11 ' OD1' ' E' ' 27' ' ' ASN . 92.5 t -124.65 122.33 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 53.420000000000002 111.096 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.87 -49.63 66.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 73.430000000000007 112.502 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -151.8 121.55 7.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 41.329999999999998 110.85 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.71 ' OD1' HG11 ' E' ' 24' ' ' VAL . 12.1 m-20 -91.37 99.7 12.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 62.130000000000003 110.902 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -121.96 138.98 54.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 72.239999999999995 110.904 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.91 -139.18 21.07 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.745 -0.741 . . . . 72.239999999999995 112.445 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.505 ' HB3' ' HA ' ' D' ' 30' ' ' ALA . . . -83.34 114.44 21.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 72.340000000000003 111.093 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.442 HG21 ' ND2' ' E' ' 27' ' ' ASN . 10.7 mm -114.73 107.76 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 74.040000000000006 111.127 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 31.7 mt -125.58 114.94 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 75.400000000000006 111.102 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.52 -40.21 77.14 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 52.210000000000001 112.515 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.828 ' C ' HD22 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -171.47 149.47 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.825 0.345 . . . . 71.25 110.92 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.62 ' N ' HD22 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -125.41 115.08 19.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 53.240000000000002 110.888 179.832 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.662 HG12 HD21 ' E' ' 34' ' ' LEU . 4.4 p -141.26 114.39 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 75.340000000000003 111.161 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.74 18.91 33.72 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 71.420000000000002 112.506 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.98 -168.71 18.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 73.109999999999999 112.475 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.618 HG23 ' O ' ' D' ' 39' ' ' VAL . 3.2 p -169.06 131.95 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.879 0.371 . . . . 73.019999999999996 111.097 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.48 HG13 ' CE ' ' E' ' 35' ' ' MET . 34.5 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 72.310000000000002 111.093 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.825 0.345 . . . . 71.519999999999996 110.866 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.58 81.62 2.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 42.32 111.065 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -52.74 -47.79 67.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 74.209999999999994 110.859 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.99 115.53 6.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 74.239999999999995 110.838 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -133.02 109.26 9.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 73.340000000000003 110.876 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -104.44 110.03 22.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 75.430000000000007 110.871 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -110.71 102.48 11.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 74.439999999999998 110.809 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 6.6 t -148.76 174.14 12.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 71.219999999999999 110.868 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.38 -7.66 29.99 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 62.310000000000002 112.469 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 10' ' ' TYR . . . . . 0.439 ' HD1' HG23 ' F' ' 12' ' ' VAL . 1.4 t80 -171.56 112.45 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.815 0.34 . . . . 74.219999999999999 110.912 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -104.05 119.53 39.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 75.219999999999999 110.917 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 0.439 HG23 ' HD1' ' F' ' 10' ' ' TYR . 58.6 t -132.42 113.39 21.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 72.040000000000006 111.105 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 42.7 m170 -120.88 114.63 21.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 55.409999999999997 110.837 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -125.95 132.98 51.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 75.299999999999997 110.855 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.97 132.91 55.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 71.299999999999997 110.891 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 16' ' ' LYS . . . . . 0.565 ' C ' HD22 ' F' ' 17' ' ' LEU . 5.3 tttp -130.46 115.94 17.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 61.310000000000002 110.932 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.708 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.5 mm? -126.71 101.0 6.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 75.239999999999995 110.898 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.421 ' CG1' ' HB2' ' F' ' 21' ' ' ALA . 91.8 t -108.99 114.74 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 61.340000000000003 111.132 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.628 ' CZ ' HD12 ' F' ' 17' ' ' LEU . 8.6 m-85 -117.66 109.29 16.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 73.129999999999995 110.918 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 60.87 78.25 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 75.310000000000002 110.895 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 21' ' ' ALA . . . . . 0.421 ' HB2' ' CG1' ' F' ' 18' ' ' VAL . . . -95.28 119.32 33.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 64.5 111.117 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 64.07 107.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 73.099999999999994 110.895 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.743 HG11 ' OD1' ' F' ' 27' ' ' ASN . 99.6 t -125.0 125.47 69.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 53.229999999999997 111.135 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.9 -52.15 54.62 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 71.310000000000002 112.475 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -149.29 121.09 8.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.932 0.396 . . . . 71.349999999999994 110.87 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 27' ' ' ASN . . . . . 0.743 ' OD1' HG11 ' F' ' 24' ' ' VAL . 16.1 m-20 -94.54 100.68 12.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 75.200000000000003 110.897 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 28' ' ' LYS . . . . . 0.611 ' O ' HD11 ' F' ' 31' ' ' ILE . 5.4 tptp -114.69 134.55 54.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 70.120000000000005 110.92 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.08 -144.89 30.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 72.310000000000002 112.446 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.594 ' C ' HD13 ' F' ' 31' ' ' ILE . . . -83.54 114.73 21.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.732 0.301 . . . . 61.520000000000003 111.071 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.613 HG21 ' OD1' ' F' ' 27' ' ' ASN . 2.7 mm -119.55 112.21 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 73.239999999999995 111.108 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 38.1 mt -130.32 118.41 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.140000000000001 111.159 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.94 -44.81 41.22 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 55.439999999999998 112.469 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 1.022 HD13 ' O ' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -172.05 151.74 2.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.821 0.343 . . . . 73.230000000000004 110.962 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' F' F ' 35' ' ' MET . . . . . 0.87 ' N ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -114.46 119.68 37.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 64.409999999999997 110.881 179.888 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.425 ' O ' HG13 ' F' ' 36' ' ' VAL . 4.0 p -135.59 117.11 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.427 . . . . 73.450000000000003 111.147 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.27 16.34 48.66 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 61.409999999999997 112.528 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.92 -171.23 16.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 53.140000000000001 112.51 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.7 ' O ' HG23 ' G' ' 39' ' ' VAL . 4.0 p -169.38 130.48 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 61.340000000000003 111.164 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.738 ' HA ' HG22 ' G' ' 40' ' ' VAL . 33.7 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 73.010000000000005 111.121 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.779 0.323 . . . . 63.299999999999997 110.887 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.43 82.03 2.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 65.200000000000003 111.091 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -52.31 -47.87 65.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 71.019999999999996 110.875 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.69 115.38 6.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 73.299999999999997 110.87 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -131.43 109.66 10.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 72.209999999999994 110.89 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -104.43 109.21 20.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 74.510000000000005 110.816 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -111.25 102.32 10.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 72.209999999999994 110.859 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t -148.29 174.32 12.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 64.409999999999997 110.859 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.38 -8.56 30.74 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 61.140000000000001 112.474 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 10' ' ' TYR . . . . . 0.416 ' HD1' HG23 ' G' ' 12' ' ' VAL . 1.5 t80 -172.25 112.92 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.86 0.362 . . . . 72.239999999999995 110.942 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -104.07 119.52 39.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 74.439999999999998 110.886 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 12' ' ' VAL . . . . . 0.416 HG23 ' HD1' ' G' ' 10' ' ' TYR . 60.2 t -129.74 113.53 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 70.239999999999995 111.13 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 39.5 m170 -121.32 114.59 21.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 70.439999999999998 110.889 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -127.2 133.56 50.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 72.019999999999996 110.834 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.36 132.87 55.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 65.219999999999999 110.907 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 16' ' ' LYS . . . . . 0.622 ' C ' HD22 ' G' ' 17' ' ' LEU . 5.5 tttp -125.7 117.15 22.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 73.230000000000004 110.86 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.773 ' HB2' HD13 ' H' ' 17' ' ' LEU . 4.4 mm? -126.5 101.55 6.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 75.219999999999999 110.962 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 89.2 t -108.05 113.16 43.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 71.430000000000007 111.144 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.618 ' CZ ' HD12 ' G' ' 17' ' ' LEU . 7.1 m-85 -118.28 106.36 12.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 74.140000000000001 110.864 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 0.554 ' CZ ' HG22 ' F' ' 31' ' ' ILE . 3.9 m-30 60.06 80.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 74.519999999999996 110.84 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.59 117.58 31.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 64.340000000000003 111.138 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.37 107.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 75.120000000000005 110.929 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.734 HG11 ' OD1' ' G' ' 27' ' ' ASN . 90.6 t -125.32 124.97 68.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 31.300000000000001 111.134 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.38 -51.7 56.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 75.219999999999999 112.511 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 3.4 p -148.64 121.73 8.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 74.409999999999997 110.837 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 27' ' ' ASN . . . . . 0.734 ' OD1' HG11 ' G' ' 24' ' ' VAL . 14.4 m-20 -94.01 99.74 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 35.229999999999997 110.88 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 28' ' ' LYS . . . . . 0.551 ' O ' HD11 ' G' ' 31' ' ' ILE . 5.0 tptp -116.8 136.56 52.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 73.129999999999995 110.883 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.77 -143.8 29.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 72.209999999999994 112.523 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.564 ' C ' HD13 ' G' ' 31' ' ' ILE . . . -82.9 114.25 21.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.76 0.314 . . . . 72.310000000000002 111.099 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.589 HG22 ' CZ ' ' H' ' 20' ' ' PHE . 2.8 mm -118.08 109.55 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 72.439999999999998 111.11 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 35.2 mt -128.42 119.17 49.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 75.519999999999996 111.09 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.8 -44.35 55.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.714 -0.755 . . . . 54.530000000000001 112.482 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 1.02 ' O ' HD13 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -171.56 149.9 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 60.509999999999998 110.895 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.859 ' N ' HD22 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -114.1 115.99 28.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 64.420000000000002 110.861 179.822 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.439 HG13 ' HA ' ' H' ' 36' ' ' VAL . 3.8 p -135.71 116.65 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 72.549999999999997 111.132 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.85 18.14 45.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 62.210000000000001 112.496 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.49 -171.08 16.96 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.793 -0.718 . . . . 53.229999999999997 112.508 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.7 HG23 ' O ' ' F' ' 39' ' ' VAL . 3.4 p -169.27 130.35 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 73.329999999999998 111.109 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.738 HG22 ' HA ' ' F' ' 40' ' ' VAL . 27.0 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 72.430000000000007 111.127 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.805 0.336 . . . . 63.32 110.878 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.02 81.64 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 61.049999999999997 111.111 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -52.49 -46.98 66.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 74.450000000000003 110.892 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.54 115.23 6.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 73.319999999999993 110.876 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -131.74 108.84 9.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 73.329999999999998 110.907 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -104.15 108.88 20.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 65.219999999999999 110.889 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -111.91 102.16 10.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 63.119999999999997 110.879 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 6.9 t -147.02 174.21 11.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 54.509999999999998 110.865 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.96 -9.04 30.85 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 73.510000000000005 112.511 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.32 112.12 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.868 0.366 . . . . 71.109999999999999 110.92 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -103.87 119.78 39.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 70.219999999999999 110.896 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 53.8 t -129.37 113.7 28.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 73.450000000000003 111.144 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 41.4 m170 -121.34 113.72 20.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 71.200000000000003 110.884 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -126.88 133.73 50.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 64.140000000000001 110.867 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.14 133.3 55.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 73.319999999999993 110.968 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 16' ' ' LYS . . . . . 0.618 ' C ' HD22 ' H' ' 17' ' ' LEU . 5.5 tttp -123.3 116.43 23.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 75.450000000000003 110.934 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.773 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.5 mm? -126.85 100.88 6.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 71.140000000000001 110.945 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 87.1 t -108.58 112.27 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 61.210000000000001 111.088 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.628 ' CZ ' HD12 ' H' ' 17' ' ' LEU . 5.6 m-85 -116.35 105.95 13.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 73.230000000000004 110.865 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 20' ' ' PHE . . . . . 0.589 ' CZ ' HG22 ' G' ' 31' ' ' ILE . 4.0 m-30 60.28 80.85 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 64.409999999999997 110.888 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.55 116.32 28.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 42.310000000000002 111.119 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.37 108.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 73.230000000000004 110.893 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 24' ' ' VAL . . . . . 0.749 HG11 ' OD1' ' H' ' 27' ' ' ASN . 95.7 t -125.59 124.09 66.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 74.120000000000005 111.099 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.24 -51.0 59.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.751 . . . . 52.039999999999999 112.492 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -148.5 121.9 9.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.861 0.363 . . . . 74.219999999999999 110.888 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 27' ' ' ASN . . . . . 0.749 ' OD1' HG11 ' H' ' 24' ' ' VAL . 13.0 m-20 -94.32 99.95 12.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 70.340000000000003 110.906 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 28' ' ' LYS . . . . . 0.521 ' O ' HD11 ' H' ' 31' ' ' ILE . 5.1 tptp -118.28 137.71 52.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 72.040000000000006 110.88 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.94 -143.09 28.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 75.0 112.455 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 30' ' ' ALA . . . . . 0.531 ' C ' HD13 ' H' ' 31' ' ' ILE . . . -82.48 113.84 20.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.753 0.311 . . . . 32.509999999999998 111.09 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.602 HG22 ' CZ ' ' I' ' 20' ' ' PHE . 3.2 mm -117.32 107.81 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 73.219999999999999 111.13 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 26.5 mt -127.44 118.93 50.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 63.039999999999999 111.177 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.91 -45.4 55.96 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 53.119999999999997 112.467 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.931 ' O ' HD13 ' H' ' 34' ' ' LEU . 0.0 OUTLIER -170.29 148.63 3.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 70.349999999999994 110.907 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' H' H ' 35' ' ' MET . . . . . 0.797 ' N ' HD22 ' H' ' 34' ' ' LEU . 0.0 OUTLIER -114.94 114.0 24.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 72.230000000000004 110.876 179.851 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.607 HG12 HD21 ' H' ' 34' ' ' LEU . 4.5 p -135.53 117.04 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 72.200000000000003 111.132 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.38 18.03 41.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 64.140000000000001 112.501 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.21 -170.9 17.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 43.439999999999998 112.486 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.693 HG23 ' O ' ' G' ' 39' ' ' VAL . 3.2 p -169.54 130.48 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 63.009999999999998 111.157 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' H' H ' 40' ' ' VAL . . . . . 0.734 HG22 ' HA ' ' G' ' 40' ' ' VAL . 23.9 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 72.099999999999994 111.155 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.812 0.339 . . . . 73.420000000000002 110.857 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.32 80.94 2.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 61.509999999999998 111.118 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -52.37 -46.68 66.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 64.129999999999995 110.913 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -147.1 115.12 6.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 74.319999999999993 110.875 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -131.85 109.34 10.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 71.420000000000002 110.827 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -104.29 108.7 20.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 55.009999999999998 110.875 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -112.4 102.28 10.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 71.319999999999993 110.89 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t -146.26 173.46 12.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 21.109999999999999 110.851 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.83 -8.59 31.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 73.510000000000005 112.496 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -172.24 111.29 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 74.140000000000001 110.92 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -103.66 119.8 39.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.065 -0.516 . . . . 75.099999999999994 110.853 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 55.1 t -129.82 113.28 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 73.040000000000006 111.113 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 41.8 m170 -121.09 113.14 19.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 75.209999999999994 110.883 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -126.06 133.26 51.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 72.430000000000007 110.888 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.88 134.15 54.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 74.150000000000006 110.929 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 16' ' ' LYS . . . . . 0.596 ' C ' HD22 ' I' ' 17' ' ' LEU . 5.5 tttp -122.43 116.48 24.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 71.439999999999998 110.871 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.736 HD13 ' HB2' ' H' ' 17' ' ' LEU . 4.6 mm? -128.22 100.35 5.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 73.040000000000006 110.937 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 88.1 t -108.75 113.46 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 64.200000000000003 111.122 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 19' ' ' PHE . . . . . 0.637 ' CZ ' HD12 ' I' ' 17' ' ' LEU . 5.1 m-85 -115.73 106.9 14.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 74.129999999999995 110.86 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 20' ' ' PHE . . . . . 0.602 ' CZ ' HG22 ' H' ' 31' ' ' ILE . 4.0 m-30 59.67 81.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 75.140000000000001 110.887 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.4 115.76 28.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 73.439999999999998 111.075 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 64.3 108.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 64.420000000000002 110.825 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.708 HG11 ' OD1' ' I' ' 27' ' ' ASN . 93.2 t -125.41 123.82 65.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 74.299999999999997 111.126 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.9 -50.68 61.62 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 64.409999999999997 112.436 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -149.24 122.09 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 74.530000000000001 110.846 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 27' ' ' ASN . . . . . 0.708 ' OD1' HG11 ' I' ' 24' ' ' VAL . 12.1 m-20 -93.72 99.32 11.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 74.319999999999993 110.903 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 28' ' ' LYS . . . . . 0.473 ' O ' HD11 ' I' ' 31' ' ' ILE . 4.5 tptp -119.37 138.84 52.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 63.409999999999997 110.915 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.75 -141.99 26.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 71.430000000000007 112.494 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.469 ' C ' HD13 ' I' ' 31' ' ' ILE . . . -82.7 113.77 20.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.738 0.304 . . . . 61.240000000000002 111.124 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.6 HG22 ' CZ ' ' J' ' 20' ' ' PHE . 4.8 mm -117.23 108.93 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 63.530000000000001 111.104 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 29.2 mt -127.86 118.18 48.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 64.329999999999998 111.133 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.53 -45.37 53.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 41.229999999999997 112.463 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.887 ' O ' HD13 ' I' ' 34' ' ' LEU . 0.0 OUTLIER -171.25 146.25 2.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.802 0.334 . . . . 61.329999999999998 110.927 -179.9 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' I' I ' 35' ' ' MET . . . . . 0.725 ' N ' HD22 ' I' ' 34' ' ' LEU . 0.0 OUTLIER -116.22 113.34 22.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 74.540000000000006 110.905 179.838 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.786 HG12 HD21 ' I' ' 34' ' ' LEU . 3.4 p -135.43 115.29 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 62.149999999999999 111.147 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.09 17.37 44.57 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.753 -0.736 . . . . 73.010000000000005 112.478 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.58 -170.16 19.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 5.4299999999999997 112.482 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 0.689 HG23 ' O ' ' H' ' 39' ' ' VAL . 3.2 p -169.18 130.88 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.356 . . . . 71.400000000000006 111.141 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' I' I ' 40' ' ' VAL . . . . . 0.709 HG22 ' HA ' ' H' ' 40' ' ' VAL . 33.0 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 51.420000000000002 111.161 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.828 0.346 . . . . 74.310000000000002 110.908 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.1 82.67 2.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 75.420000000000002 111.068 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -51.96 -47.14 64.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 73.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.68 115.76 6.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 71.319999999999993 110.852 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -129.36 109.16 10.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 73.230000000000004 110.875 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -102.9 108.77 20.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.209999999999994 110.868 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -113.03 102.19 10.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 62.240000000000002 110.871 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 7.3 t -147.56 170.73 16.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.450000000000003 110.88 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.15 -7.92 34.56 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 54.43 112.462 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -171.7 109.3 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.859 0.362 . . . . 75.049999999999997 110.918 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -104.95 120.05 40.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 44.210000000000001 110.907 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 54.6 t -129.67 113.83 28.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 74.120000000000005 111.122 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 43.3 m170 -120.32 112.92 19.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 71.450000000000003 110.852 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -127.36 133.95 50.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 74.299999999999997 110.828 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.7 139.09 54.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 71.439999999999998 110.893 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' J' J ' 16' ' ' LYS . . . . . 0.537 ' C ' HD22 ' J' ' 17' ' ' LEU . 5.5 tttp -122.86 115.69 22.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 73.519999999999996 110.887 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.569 HD13 ' HB2' ' I' ' 17' ' ' LEU . 4.4 mm? -128.1 101.57 6.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 60.149999999999999 110.917 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.4 ' CG1' ' HB2' ' J' ' 21' ' ' ALA . 85.7 t -108.06 114.49 46.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 73.129999999999995 111.154 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.518 ' CE1' HD12 ' J' ' 17' ' ' LEU . 5.6 m-85 -114.6 105.43 13.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.430000000000007 110.894 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' J' J ' 20' ' ' PHE . . . . . 0.6 ' CZ ' HG22 ' I' ' 31' ' ' ILE . 4.1 m-30 59.01 81.24 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 73.010000000000005 110.948 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' J' J ' 21' ' ' ALA . . . . . 0.4 ' HB2' ' CG1' ' J' ' 18' ' ' VAL . . . -94.88 114.36 26.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 75.239999999999995 111.092 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 63.6 108.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 55.229999999999997 110.89 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.712 HG11 ' OD1' ' J' ' 27' ' ' ASN . 90.6 t -124.71 122.2 63.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 72.400000000000006 111.166 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.82 -49.94 64.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 42.240000000000002 112.514 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -151.17 121.36 7.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.929 0.395 . . . . 74.340000000000003 110.836 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' J' J ' 27' ' ' ASN . . . . . 0.712 ' OD1' HG11 ' J' ' 24' ' ' VAL . 11.5 m-20 -91.85 98.95 11.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 62.119999999999997 110.851 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 tptp -120.6 140.09 52.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 75.109999999999999 110.915 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.01 -140.36 23.03 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 63.299999999999997 112.513 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 0.432 ' HB3' ' HA ' ' I' ' 30' ' ' ALA . . . -83.05 114.31 21.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 71.400000000000006 111.08 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.426 HG21 ' ND2' ' J' ' 27' ' ' ASN . 10.0 mm -113.55 108.04 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 60.030000000000001 111.155 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 36.3 mt -124.57 114.42 40.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 64.340000000000003 111.114 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.16 -41.31 78.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.749 -0.738 . . . . 72.310000000000002 112.478 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.827 ' C ' HD22 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -171.34 149.15 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 63.310000000000002 110.906 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' J' J ' 35' ' ' MET . . . . . 0.599 ' N ' HD22 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -124.96 114.83 19.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 64.099999999999994 110.89 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.671 HG12 HD21 ' J' ' 34' ' ' LEU . 4.4 p -140.89 114.28 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 75.5 111.141 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.47 19.42 33.77 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 61.420000000000002 112.508 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -112.01 -168.44 18.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 53.509999999999998 112.464 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.637 HG23 ' O ' ' I' ' 39' ' ' VAL . 3.3 p -168.88 132.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 72.239999999999995 111.12 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.503 HG22 ' HA ' ' I' ' 40' ' ' VAL . 34.2 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 74.340000000000003 111.119 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.799 0.333 . . . . 73.299999999999997 110.869 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.62 91.66 4.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 51.100000000000001 111.103 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.35 -30.21 38.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 72.120000000000005 110.945 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.657 ' CE2' ' HB2' ' F' ' 30' ' ' ALA . 0.2 OUTLIER -162.29 113.96 1.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 62.109999999999999 110.868 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -135.53 108.51 7.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 73.540000000000006 110.865 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -111.71 109.2 18.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 74.319999999999993 110.861 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -111.3 102.45 10.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 72.430000000000007 110.816 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.8 t -149.14 176.82 10.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 75.430000000000007 110.88 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.09 -19.27 9.12 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.739 -0.743 . . . . 55.030000000000001 112.426 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -156.03 110.94 2.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.825 0.345 . . . . 74.209999999999994 110.924 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -103.2 119.69 39.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 74.019999999999996 110.848 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.9 t -130.74 113.73 25.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 64.519999999999996 111.135 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -118.36 118.72 32.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 62.140000000000001 110.856 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -130.12 114.45 15.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 74.230000000000004 110.882 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.453 ' HG3' HG12 ' F' ' 39' ' ' VAL . 0.0 OUTLIER -119.34 133.48 55.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 72.530000000000001 110.875 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -133.62 115.56 14.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 73.319999999999993 110.907 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.676 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.2 mm? -113.22 109.81 19.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 65.530000000000001 110.937 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.533 ' CG1' ' HB2' ' A' ' 21' ' ' ALA . 39.6 t -105.05 111.22 33.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 73.209999999999994 111.128 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.456 ' HE1' HD12 ' A' ' 17' ' ' LEU . 13.9 m-30 -102.19 105.39 16.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 65.430000000000007 110.892 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 57.48 92.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 52.340000000000003 110.833 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.533 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . . . -114.19 137.63 51.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 55.450000000000003 111.119 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.88 86.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.415 . . . . 64.340000000000003 110.843 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.617 HG22 ' H ' ' A' ' 26' ' ' SER . 7.6 p -122.86 129.63 75.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 62.0 111.116 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.91 -35.55 40.17 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.757 -0.735 . . . . 61.240000000000002 112.505 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.617 ' H ' HG22 ' A' ' 24' ' ' VAL . 0.5 OUTLIER 179.79 138.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.907 0.384 . . . . 61.350000000000001 110.859 -179.744 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -100.2 100.03 10.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 62.409999999999997 110.908 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.95 150.27 34.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 71.439999999999998 110.891 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.85 -129.74 27.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 40.240000000000002 112.503 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.685 ' HB2' ' CE2' ' F' ' 4' ' ' PHE . . . -105.71 113.93 27.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.756 0.312 . . . . 60.450000000000003 111.09 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.499 HD13 ' N ' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -123.86 118.46 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 74.450000000000003 111.123 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mt -132.07 122.28 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.469 . . . . 73.319999999999993 111.104 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.01 -51.0 20.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 63.299999999999997 112.536 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.78 HD13 ' N ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -158.78 159.2 34.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 64.010000000000005 110.898 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.417 ' HE1' ' HA ' ' A' ' 39' ' ' VAL . 2.4 ttp -133.31 122.98 24.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 72.239999999999995 110.87 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.2 t -134.32 113.16 16.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 70.150000000000006 111.159 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.31 26.97 73.43 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.705 -0.76 . . . . 43.32 112.504 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.19 -173.82 15.18 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.776 -0.726 . . . . 74.439999999999998 112.449 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.773 HG13 HG23 ' B' ' 39' ' ' VAL . 12.5 p -164.24 151.0 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 52.409999999999997 111.141 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.72 ' HA ' HG22 ' B' ' 40' ' ' VAL . 18.1 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 73.340000000000003 111.144 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.87 0.367 . . . . 44.100000000000001 110.89 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.18 91.9 5.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 43.039999999999999 111.134 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -52.67 -28.33 21.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 62.43 110.886 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.623 ' CE2' ' HB2' ' G' ' 30' ' ' ALA . 0.3 OUTLIER -162.72 114.32 1.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 71.340000000000003 110.863 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -133.09 108.5 8.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 74.310000000000002 110.858 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -111.15 110.44 20.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 73.230000000000004 110.838 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -112.42 101.83 9.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 74.340000000000003 110.856 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' C' ' 8' ' ' SER . 7.7 t -148.14 176.4 10.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 62.200000000000003 110.843 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.35 -18.84 9.32 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.78 -0.724 . . . . 53.109999999999999 112.491 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -156.09 110.76 2.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.924 0.393 . . . . 62.210000000000001 110.942 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -101.6 119.0 38.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 73.25 110.866 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 30.3 t -129.61 114.03 29.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 64.329999999999998 111.118 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 67.1 m170 -119.51 120.18 36.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 73.120000000000005 110.895 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -128.18 116.78 20.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 73.420000000000002 110.873 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.444 ' HG3' HG12 ' G' ' 39' ' ' VAL . 0.0 OUTLIER -119.74 132.29 55.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 75.540000000000006 110.919 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -131.77 115.99 16.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 75.219999999999999 110.846 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.739 ' HB2' HD13 ' C' ' 17' ' ' LEU . 4.1 mm? -115.59 106.68 14.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 62.25 110.897 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.499 ' CG1' ' HB2' ' B' ' 21' ' ' ALA . 40.7 t -103.23 109.85 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 30.34 111.139 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.492 ' HE1' HD12 ' B' ' 17' ' ' LEU . 12.5 m-30 -102.28 101.75 12.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 73.510000000000005 110.905 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 58.62 92.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 64.239999999999995 110.871 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.499 ' HB2' ' CG1' ' B' ' 18' ' ' VAL . . . -115.01 138.66 50.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 73.239999999999995 111.127 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.14 86.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 73.329999999999998 110.868 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.618 HG22 ' H ' ' B' ' 26' ' ' SER . 7.7 p -123.8 127.77 73.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 71.129999999999995 111.1 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.37 -34.34 41.27 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 75.219999999999999 112.5 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.618 ' H ' HG22 ' B' ' 24' ' ' VAL . 0.5 OUTLIER -179.13 138.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 64.340000000000003 110.869 -179.745 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -100.96 99.56 10.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 63.009999999999998 110.889 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.45 153.58 30.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 54.229999999999997 110.939 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.65 -128.67 29.87 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 74.310000000000002 112.48 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.596 ' HB2' ' CE2' ' G' ' 4' ' ' PHE . . . -104.73 114.18 28.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 74.5 111.085 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.539 ' N ' HD13 ' B' ' 31' ' ' ILE . 0.0 OUTLIER -121.59 115.19 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 74.049999999999997 111.169 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -131.27 122.05 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 44.140000000000001 111.126 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.74 -50.47 31.49 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 75.099999999999994 112.509 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.785 ' N ' HD13 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -158.49 155.93 29.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 52.25 110.924 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttp -128.1 120.84 28.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 73.319999999999993 110.858 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 63.8 t -137.06 112.83 11.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 74.140000000000001 111.101 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.38 28.62 73.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 70.430000000000007 112.456 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.03 -174.76 15.99 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 72.129999999999995 112.472 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.852 HG13 HG23 ' C' ' 39' ' ' VAL . 14.5 p -164.69 150.03 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.907 0.385 . . . . 74.329999999999998 111.103 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.753 ' HA ' HG22 ' C' ' 40' ' ' VAL . 13.8 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 72.549999999999997 111.125 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.814 0.34 . . . . 75.329999999999998 110.88 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.81 92.03 5.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 53.030000000000001 111.105 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.67 -28.12 31.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 71.129999999999995 110.892 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 4' ' ' PHE . . . . . 0.629 ' CE2' ' HB2' ' H' ' 30' ' ' ALA . 0.2 OUTLIER -162.54 114.12 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 71.510000000000005 110.902 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -131.34 108.58 9.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 63.520000000000003 110.874 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -111.54 109.44 19.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 74.230000000000004 110.832 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -111.53 101.92 10.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 64.319999999999993 110.861 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 8' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' B' ' 8' ' ' SER . 7.7 t -148.58 176.02 10.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 63.200000000000003 110.873 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.66 -18.4 9.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.802 -0.713 . . . . 72.420000000000002 112.511 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -155.91 110.99 2.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.88 0.371 . . . . 65.340000000000003 110.895 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -100.97 119.12 38.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 63.530000000000001 110.898 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 30.2 t -128.17 113.91 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 70.209999999999994 111.106 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 66.6 m170 -120.28 118.56 30.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 71.200000000000003 110.841 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -127.5 117.06 21.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 61.329999999999998 110.882 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.67 131.98 55.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 74.140000000000001 110.931 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -128.86 116.28 19.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 62.329999999999998 110.879 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.739 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.3 mm? -117.95 104.96 11.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 65.549999999999997 110.952 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.463 ' CG1' ' HB2' ' C' ' 21' ' ' ALA . 41.5 t -102.71 110.06 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 72.540000000000006 111.145 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.5 ' HE1' HD12 ' C' ' 17' ' ' LEU . 10.5 m-30 -102.37 100.94 11.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 71.25 110.908 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 57.83 92.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 74.230000000000004 110.825 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 0.463 ' HB2' ' CG1' ' C' ' 18' ' ' VAL . . . -116.7 138.28 51.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 73.019999999999996 111.089 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.49 86.81 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 73.230000000000004 110.821 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.621 HG22 ' H ' ' C' ' 26' ' ' SER . 7.5 p -124.63 127.31 72.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 62.329999999999998 111.142 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.68 -34.12 35.54 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 72.530000000000001 112.467 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.621 ' H ' HG22 ' C' ' 24' ' ' VAL . 0.5 OUTLIER -178.85 138.43 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.915 0.388 . . . . 74.25 110.807 -179.766 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -101.33 99.81 10.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.511 . . . . 73.299999999999997 110.859 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.18 154.34 30.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 72.010000000000005 110.9 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.85 -128.3 28.9 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.756 . . . . 50.119999999999997 112.49 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.579 ' HB2' ' CE2' ' H' ' 4' ' ' PHE . . . -104.47 113.53 27.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.748 0.309 . . . . 74.430000000000007 111.11 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.561 HD13 ' N ' ' C' ' 31' ' ' ILE . 0.0 OUTLIER -119.79 113.09 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 60.509999999999998 111.128 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -129.72 121.74 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 60.509999999999998 111.118 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.41 ' C ' HD13 ' C' ' 34' ' ' LEU . . . -50.25 -51.23 31.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.735 . . . . 62.109999999999999 112.521 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.798 HD13 ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -156.64 154.81 30.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 54.030000000000001 110.88 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.5 ttp -127.82 119.46 25.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 63.340000000000003 110.898 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 72.7 t -137.57 112.01 9.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 75.340000000000003 111.127 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.4 30.05 75.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.707 -0.758 . . . . 72.439999999999998 112.537 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.29 -174.61 16.4 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.75 . . . . 60.109999999999999 112.507 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.866 HG13 HG23 ' D' ' 39' ' ' VAL . 14.6 p -164.42 150.24 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.922 0.391 . . . . 73.340000000000003 111.107 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.753 HG22 ' HA ' ' B' ' 40' ' ' VAL . 12.3 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 74.310000000000002 111.165 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.813 0.34 . . . . 74.349999999999994 110.874 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.91 91.95 5.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 72.319999999999993 111.11 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.92 -27.83 33.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 74.140000000000001 110.855 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 4' ' ' PHE . . . . . 0.642 ' CE2' ' HB2' ' I' ' 30' ' ' ALA . 0.2 OUTLIER -161.81 114.18 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 73.340000000000003 110.891 -179.869 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -130.4 108.32 9.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 74.5 110.913 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -112.47 108.99 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 75.040000000000006 110.869 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -110.6 101.88 10.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 73.120000000000005 110.852 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 8' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' C' ' 8' ' ' SER . 7.7 t -149.29 174.52 12.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 73.219999999999999 110.849 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.15 -17.08 10.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.785 -0.721 . . . . 60.530000000000001 112.509 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -155.77 110.39 2.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 64.230000000000004 110.911 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -100.29 119.69 38.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 73.430000000000007 110.928 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 30.2 t -127.18 114.24 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 74.299999999999997 111.158 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 66.1 m170 -121.51 117.4 26.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 72.230000000000004 110.884 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -127.39 117.68 22.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 65.030000000000001 110.853 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.0 132.44 55.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 55.509999999999998 110.943 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 16' ' ' LYS . . . . . 0.423 ' C ' HD22 ' D' ' 17' ' ' LEU . 12.3 tttp -127.18 115.68 19.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 72.010000000000005 110.874 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.686 HD13 ' HB2' ' C' ' 17' ' ' LEU . 4.3 mm? -120.58 103.92 9.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 72.209999999999994 110.887 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.536 ' CG1' ' HB2' ' D' ' 21' ' ' ALA . 40.0 t -102.92 112.01 34.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 61.149999999999999 111.155 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.519 ' HE1' HD12 ' D' ' 17' ' ' LEU . 9.4 m-30 -101.84 101.07 11.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 71.400000000000006 110.847 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 58.15 92.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 70.420000000000002 110.891 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 21' ' ' ALA . . . . . 0.536 ' HB2' ' CG1' ' D' ' 18' ' ' VAL . . . -116.79 139.52 50.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 44.409999999999997 111.082 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.82 85.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 62.119999999999997 110.872 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.602 HG22 ' H ' ' D' ' 26' ' ' SER . 7.5 p -125.39 126.7 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 73.310000000000002 111.121 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.21 -34.34 40.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 63.43 112.536 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 26' ' ' SER . . . . . 0.602 ' H ' HG22 ' D' ' 24' ' ' VAL . 0.5 OUTLIER -178.99 138.46 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 74.319999999999993 110.865 -179.782 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -99.58 99.99 10.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 72.409999999999997 110.918 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.93 154.26 29.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 74.040000000000006 110.878 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.66 -128.54 29.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 65.329999999999998 112.438 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.659 ' HB2' ' CE2' ' I' ' 4' ' ' PHE . . . -104.41 113.3 26.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 51.439999999999998 111.13 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.515 ' N ' HD13 ' D' ' 31' ' ' ILE . 0.0 OUTLIER -117.56 113.5 42.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 74.430000000000007 111.109 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -129.41 121.16 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 45.109999999999999 111.13 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 33' ' ' GLY . . . . . 0.487 ' C ' HD13 ' D' ' 34' ' ' LEU . . . -50.65 -51.87 31.47 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 61.450000000000003 112.485 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.776 ' N ' HD13 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -155.22 153.43 30.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 63.039999999999999 110.939 -179.886 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 2.6 mtp -128.33 118.53 23.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 73.409999999999997 110.892 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 76.9 t -138.18 111.53 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 53.039999999999999 111.093 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.88 30.3 76.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 74.420000000000002 112.476 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.23 -173.91 16.75 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.682 -0.771 . . . . 74.450000000000003 112.433 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.875 HG13 HG23 ' E' ' 39' ' ' VAL . 12.9 p -163.16 150.79 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.368 . . . . 71.140000000000001 111.125 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.73 HG22 ' HA ' ' C' ' 40' ' ' VAL . 12.7 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 45.409999999999997 111.099 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.822 0.344 . . . . 72.310000000000002 110.874 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.3 91.87 5.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 54.229999999999997 111.136 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 3' ' ' GLU . . . . . 0.407 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . 1.5 mp0 -53.7 -27.77 29.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 71.299999999999997 110.89 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 4' ' ' PHE . . . . . 0.638 ' CE2' ' HB2' ' J' ' 30' ' ' ALA . 0.2 OUTLIER -160.67 115.24 2.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 65.450000000000003 110.876 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -129.14 107.67 9.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 62.219999999999999 110.859 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -112.73 108.76 17.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 74.030000000000001 110.863 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -108.68 101.1 10.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 51.43 110.877 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 7.5 t -152.34 169.79 21.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 75.349999999999994 110.865 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.54 -14.15 15.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 50.229999999999997 112.511 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -153.37 108.77 3.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.345 . . . . 73.209999999999994 110.92 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -101.1 120.81 40.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 61.030000000000001 110.874 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 30.0 t -125.4 114.34 39.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 52.549999999999997 111.137 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 64.8 m170 -122.82 115.82 22.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 70.340000000000003 110.887 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -128.5 120.39 26.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 75.310000000000002 110.828 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.74 133.61 54.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 72.420000000000002 110.934 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 16' ' ' LYS . . . . . 0.481 ' O ' HD22 ' E' ' 17' ' ' LEU . 11.3 tttp -125.64 115.76 20.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 71.239999999999995 110.898 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.641 HD13 ' HB2' ' D' ' 17' ' ' LEU . 4.5 mm? -123.16 104.04 8.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 70.420000000000002 110.899 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.56 ' CG1' ' HB2' ' E' ' 21' ' ' ALA . 40.1 t -102.04 114.75 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 64.439999999999998 111.111 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.466 ' HE1' HD12 ' E' ' 17' ' ' LEU . 9.3 m-30 -102.67 97.32 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 72.239999999999995 110.911 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 58.99 90.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 72.400000000000006 110.86 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 21' ' ' ALA . . . . . 0.56 ' HB2' ' CG1' ' E' ' 18' ' ' VAL . . . -114.99 139.59 49.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 65.0 111.13 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.67 85.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 63.329999999999998 110.856 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.584 HG22 ' H ' ' E' ' 26' ' ' SER . 7.6 p -124.11 124.58 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 72.310000000000002 111.137 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.26 -32.96 37.73 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.751 -0.738 . . . . 41.409999999999997 112.498 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 26' ' ' SER . . . . . 0.584 ' H ' HG22 ' E' ' 24' ' ' VAL . 0.5 OUTLIER -179.0 136.58 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 74.510000000000005 110.909 -179.75 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.532 ' OD1' HG21 ' E' ' 24' ' ' VAL . 22.6 m-20 -98.91 99.43 10.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 72.519999999999996 110.902 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -115.91 155.07 28.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 73.400000000000006 110.892 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.13 -130.63 29.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.745 . . . . 52.32 112.481 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.652 ' HB2' ' CE2' ' J' ' 4' ' ' PHE . . . -101.82 114.64 28.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.746 0.308 . . . . 71.109999999999999 111.107 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.473 HG22 HG13 ' D' ' 31' ' ' ILE . 0.0 OUTLIER -115.46 114.2 45.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 64.409999999999997 111.13 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -129.22 117.54 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 73.150000000000006 111.076 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 33' ' ' GLY . . . . . 0.59 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -51.82 -48.19 51.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.673 -0.775 . . . . 74.549999999999997 112.492 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.747 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -155.22 154.04 31.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 60.130000000000003 110.921 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.401 ' H ' HD22 ' D' ' 34' ' ' LEU . 2.7 mtp -130.5 118.1 20.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 64.030000000000001 110.866 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 58.5 t -142.62 111.02 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 63.450000000000003 111.127 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.28 30.59 78.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 64.019999999999996 112.475 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.2 -173.39 16.53 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.726 . . . . 71.329999999999998 112.435 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.875 HG23 HG13 ' D' ' 39' ' ' VAL . 12.1 p -162.14 150.72 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 55.210000000000001 111.158 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.695 HG22 ' HA ' ' D' ' 40' ' ' VAL . 15.4 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 74.349999999999994 111.118 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.864 0.364 . . . . 71.340000000000003 110.862 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.83 91.55 5.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 74.030000000000001 111.088 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.59 -29.67 38.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 70.420000000000002 110.908 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 4' ' ' PHE . . . . . 0.685 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -161.32 114.18 1.9 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 74.109999999999999 110.926 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -134.1 108.73 8.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 74.209999999999994 110.867 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -111.05 109.14 19.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 54.549999999999997 110.897 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -111.21 102.27 10.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 72.239999999999995 110.866 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 7.8 t -149.51 176.54 10.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 74.530000000000001 110.892 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.4 -19.3 8.95 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 62.109999999999999 112.498 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -156.02 110.93 2.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.822 0.344 . . . . 74.430000000000007 110.969 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -102.59 119.44 38.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 71.140000000000001 110.87 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 29.8 t -129.8 114.07 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 53.530000000000001 111.163 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 66.6 m170 -117.95 118.96 33.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 73.409999999999997 110.877 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -131.46 112.91 13.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 71.439999999999998 110.86 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 15' ' ' GLN . . . . . 0.43 ' HG3' HG12 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -119.52 133.51 55.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 72.310000000000002 110.893 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -133.9 115.65 14.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 75.049999999999997 110.912 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.68 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.3 mm? -113.12 110.13 19.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 74.120000000000005 110.922 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.541 ' CG1' ' HB2' ' F' ' 21' ' ' ALA . 39.2 t -105.44 111.68 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 62.409999999999997 111.178 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.429 ' HD2' HD12 ' G' ' 34' ' ' LEU . 14.2 m-30 -102.17 105.71 16.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 72.129999999999995 110.911 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 57.49 92.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 72.209999999999994 110.848 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 21' ' ' ALA . . . . . 0.541 ' HB2' ' CG1' ' F' ' 18' ' ' VAL . . . -114.68 138.35 50.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 75.030000000000001 111.099 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.55 85.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 63.119999999999997 110.858 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.609 HG22 ' H ' ' F' ' 26' ' ' SER . 7.7 p -123.08 129.69 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 65.019999999999996 111.141 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.04 -35.92 42.1 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.724 -0.75 . . . . 34.43 112.5 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 26' ' ' SER . . . . . 0.609 ' H ' HG22 ' F' ' 24' ' ' VAL . 0.5 OUTLIER 179.98 136.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.872 0.368 . . . . 63.340000000000003 110.873 -179.809 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -98.91 99.7 10.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 75.219999999999999 110.866 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.45 150.62 32.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 73.019999999999996 110.874 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.57 -131.89 29.43 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.718 -0.753 . . . . 43.530000000000001 112.517 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.657 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . . . -103.55 113.43 26.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.318 . . . . 73.019999999999996 111.134 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.497 HD13 ' N ' ' F' ' 31' ' ' ILE . 0.0 OUTLIER -123.67 119.16 56.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 65.109999999999999 111.131 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mt -132.49 122.36 47.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 72.530000000000001 111.164 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.95 -51.28 19.28 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 31.02 112.461 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.784 HD13 ' N ' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -158.85 158.86 34.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.79 0.329 . . . . 71.129999999999995 110.931 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttp -132.93 122.76 24.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 73.239999999999995 110.864 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 53.0 t -134.22 112.92 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 72.140000000000001 111.139 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.29 26.86 73.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 43.140000000000001 112.492 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.44 -173.74 15.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 64.439999999999998 112.454 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.756 HG13 HG23 ' G' ' 39' ' ' VAL . 12.1 p -164.85 151.85 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.353 . . . . 54.420000000000002 111.14 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.727 ' HA ' HG22 ' G' ' 40' ' ' VAL . 18.3 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 62.009999999999998 111.128 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.814 0.34 . . . . 73.400000000000006 110.853 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.54 91.48 5.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 61.409999999999997 111.115 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -52.7 -28.86 23.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 75.040000000000006 110.886 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 4' ' ' PHE . . . . . 0.596 ' CE2' ' HB2' ' B' ' 30' ' ' ALA . 0.3 OUTLIER -162.84 114.57 1.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 75.230000000000004 110.926 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -132.47 108.4 9.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 62.409999999999997 110.893 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -110.43 109.8 20.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 73.200000000000003 110.882 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -111.68 101.49 9.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 75.540000000000006 110.845 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 8' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' H' ' 8' ' ' SER . 7.7 t -148.37 176.25 10.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 70.319999999999993 110.838 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.57 -18.81 9.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.731 . . . . 65.340000000000003 112.536 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -156.11 110.49 2.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.862 0.363 . . . . 75.400000000000006 110.944 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -100.92 118.94 37.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 64.030000000000001 110.859 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 30.6 t -128.66 114.06 31.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 60.409999999999997 111.158 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 67.3 m170 -119.2 119.45 34.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 75.510000000000005 110.845 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -128.89 116.33 19.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 73.030000000000001 110.879 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 15' ' ' GLN . . . . . 0.424 ' HG3' HG12 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -120.72 132.41 55.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 75.340000000000003 110.903 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -131.8 116.31 17.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 50.350000000000001 110.882 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.715 ' HB2' HD13 ' H' ' 17' ' ' LEU . 4.1 mm? -115.47 106.99 14.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 71.439999999999998 110.934 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.506 ' CG1' ' HB2' ' G' ' 21' ' ' ALA . 41.2 t -103.55 110.35 29.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.479 . . . . 73.349999999999994 111.105 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.488 ' HE1' HD12 ' G' ' 17' ' ' LEU . 12.6 m-30 -102.32 102.21 12.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 61.219999999999999 110.87 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 58.56 92.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 71.219999999999999 110.879 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 21' ' ' ALA . . . . . 0.506 ' HB2' ' CG1' ' G' ' 18' ' ' VAL . . . -115.3 138.72 50.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 64.010000000000005 111.103 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.07 86.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.432 . . . . 70.25 110.86 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.619 HG22 ' H ' ' G' ' 26' ' ' SER . 7.7 p -123.7 127.62 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 73.150000000000006 111.111 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.29 -34.34 40.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 74.299999999999997 112.488 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 26' ' ' SER . . . . . 0.619 ' H ' HG22 ' G' ' 24' ' ' VAL . 0.6 OUTLIER -179.05 137.45 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 54.43 110.857 -179.697 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -100.9 98.95 9.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 71.340000000000003 110.835 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.16 154.71 28.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 72.129999999999995 110.896 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.17 -129.42 31.86 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 74.040000000000006 112.488 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.623 ' HB2' ' CE2' ' B' ' 4' ' ' PHE . . . -104.02 113.84 27.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.322 . . . . 75.450000000000003 111.12 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.535 ' N ' HD13 ' G' ' 31' ' ' ILE . 0.0 OUTLIER -121.49 115.85 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 64.409999999999997 111.128 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -131.53 122.02 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 64.25 111.148 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.58 -51.08 28.93 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.715 -0.755 . . . . 44.520000000000003 112.502 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.796 ' N ' HD13 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -158.32 156.17 30.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.8 0.333 . . . . 53.340000000000003 110.921 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttp -128.43 120.73 27.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 62.32 110.895 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 66.4 t -136.79 112.26 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 73.310000000000002 111.101 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.43 28.94 73.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 34.109999999999999 112.535 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.11 -174.52 15.88 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 74.5 112.505 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.849 HG13 HG23 ' H' ' 39' ' ' VAL . 14.6 p -164.73 150.46 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.38 . . . . 74.319999999999993 111.102 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.727 HG22 ' HA ' ' F' ' 40' ' ' VAL . 13.6 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 53.509999999999998 111.103 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.856 0.36 . . . . 72.299999999999997 110.89 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.73 91.72 5.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 75.439999999999998 111.105 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.65 -29.07 36.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 65.439999999999998 110.925 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 4' ' ' PHE . . . . . 0.579 ' CE2' ' HB2' ' C' ' 30' ' ' ALA . 0.2 OUTLIER -161.85 114.75 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 74.030000000000001 110.894 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -131.45 108.56 9.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.430000000000007 110.859 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -111.34 109.28 19.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 75.319999999999993 110.851 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -111.45 101.85 10.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 70.299999999999997 110.839 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 8' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' G' ' 8' ' ' SER . 7.6 t -148.64 175.84 10.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 64.340000000000003 110.854 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.64 -18.48 9.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 32.43 112.457 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -155.99 110.75 2.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 75.329999999999998 110.965 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -100.44 118.99 37.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 71.099999999999994 110.874 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 31.1 t -127.73 114.26 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 63.140000000000001 111.137 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 66.2 m170 -120.09 118.55 30.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 71.540000000000006 110.885 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -128.28 116.75 20.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 74.219999999999999 110.822 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.02 132.28 54.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 71.25 110.932 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -129.36 116.45 19.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 52.530000000000001 110.871 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.715 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.2 mm? -117.15 105.25 12.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 64.319999999999993 110.869 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.482 ' CG1' ' HB2' ' H' ' 21' ' ' ALA . 41.7 t -102.8 110.06 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 62.509999999999998 111.098 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.526 ' HE1' HD12 ' H' ' 17' ' ' LEU . 10.9 m-30 -102.1 101.1 11.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 74.239999999999995 110.853 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 57.88 91.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 63.399999999999999 110.897 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 21' ' ' ALA . . . . . 0.482 ' HB2' ' CG1' ' H' ' 18' ' ' VAL . . . -116.27 138.74 51.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 64.109999999999999 111.066 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.3 86.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 73.129999999999995 110.872 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 24' ' ' VAL . . . . . 0.62 HG22 ' H ' ' H' ' 26' ' ' SER . 7.5 p -124.21 126.98 73.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 64.140000000000001 111.141 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.05 -33.92 38.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.71 -0.757 . . . . 72.310000000000002 112.502 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 26' ' ' SER . . . . . 0.62 ' H ' HG22 ' H' ' 24' ' ' VAL . 0.5 OUTLIER -178.6 137.39 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 44.219999999999999 110.831 -179.759 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' H' H ' 27' ' ' ASN . . . . . 0.401 ' OD1' HG21 ' H' ' 24' ' ' VAL . 11.7 m-20 -101.15 98.98 9.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 75.219999999999999 110.892 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.32 155.35 27.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 72.439999999999998 110.924 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.23 -129.0 31.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 53.240000000000002 112.495 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 30' ' ' ALA . . . . . 0.629 ' HB2' ' CE2' ' C' ' 4' ' ' PHE . . . -104.0 113.56 27.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.719 0.295 . . . . 72.430000000000007 111.098 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.553 HD13 ' N ' ' H' ' 31' ' ' ILE . 0.0 OUTLIER -119.43 114.0 42.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 75.450000000000003 111.104 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -130.28 121.45 51.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 65.299999999999997 111.137 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 33' ' ' GLY . . . . . 0.423 ' C ' HD13 ' H' ' 34' ' ' LEU . . . -50.06 -51.81 28.84 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.742 -0.742 . . . . 71.019999999999996 112.537 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.8 HD13 ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -156.46 154.84 31.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.331 . . . . 74.510000000000005 110.928 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttp -127.99 119.39 25.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 62.030000000000001 110.92 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 71.8 t -137.27 112.07 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 70.019999999999996 111.149 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.7 30.41 77.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.783 -0.722 . . . . 73.510000000000005 112.495 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.3 -174.18 16.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 61.329999999999998 112.493 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.899 HG13 HG23 ' I' ' 39' ' ' VAL . 13.2 p -164.46 151.24 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 54.140000000000001 111.169 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' H' H ' 40' ' ' VAL . . . . . 0.727 HG22 ' HA ' ' G' ' 40' ' ' VAL . 13.6 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 73.219999999999999 111.102 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.848 0.356 . . . . 74.310000000000002 110.84 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.42 91.69 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 64.299999999999997 111.048 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.47 -28.91 33.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 71.120000000000005 110.891 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 4' ' ' PHE . . . . . 0.659 ' CE2' ' HB2' ' D' ' 30' ' ' ALA . 0.2 OUTLIER -161.79 114.84 1.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 73.430000000000007 110.854 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -130.36 108.38 9.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 63.100000000000001 110.823 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -111.75 108.73 18.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 72.109999999999999 110.871 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -110.5 101.91 10.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 74.430000000000007 110.882 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 8' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' H' ' 8' ' ' SER . 7.7 t -149.41 174.49 12.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 62.549999999999997 110.857 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.82 -17.34 10.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 63.539999999999999 112.495 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -155.91 111.05 2.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.85 0.357 . . . . 72.540000000000006 110.93 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -100.42 119.81 39.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 60.340000000000003 110.867 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 31.7 t -127.12 114.26 36.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 71.549999999999997 111.124 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 65.9 m170 -121.56 117.92 27.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.168 -0.469 . . . . 73.209999999999994 110.807 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -128.72 117.74 21.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 60.350000000000001 110.839 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.11 132.06 54.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 75.25 110.9 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' I' I ' 16' ' ' LYS . . . . . 0.408 ' C ' HD22 ' I' ' 17' ' ' LEU . 12.6 tttp -127.07 116.22 20.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 72.140000000000001 110.908 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.704 HD13 ' HB2' ' H' ' 17' ' ' LEU . 4.2 mm? -119.19 104.23 10.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 73.219999999999999 110.937 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' I' I ' 18' ' ' VAL . . . . . 0.541 ' CG1' ' HB2' ' I' ' 21' ' ' ALA . 40.4 t -102.52 111.89 33.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 71.239999999999995 111.155 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' I' I ' 19' ' ' PHE . . . . . 0.49 ' HE1' HD12 ' I' ' 17' ' ' LEU . 10.0 m-30 -101.7 99.97 10.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 64.129999999999995 110.885 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 58.99 91.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 73.310000000000002 110.895 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 21' ' ' ALA . . . . . 0.541 ' HB2' ' CG1' ' I' ' 18' ' ' VAL . . . -117.19 139.31 50.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 71.450000000000003 111.095 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.61 86.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 73.150000000000006 110.87 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.605 HG22 ' H ' ' I' ' 26' ' ' SER . 7.1 p -126.02 126.19 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 63.520000000000003 111.129 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.89 -34.39 37.69 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.793 -0.718 . . . . 65.510000000000005 112.462 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 26' ' ' SER . . . . . 0.605 ' H ' HG22 ' I' ' 24' ' ' VAL . 0.5 OUTLIER -178.37 137.77 0.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.958 0.409 . . . . 73.150000000000006 110.84 -179.742 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' I' I ' 27' ' ' ASN . . . . . 0.4 ' OD1' HG21 ' I' ' 24' ' ' VAL . 13.8 m-20 -99.59 99.4 10.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 75.230000000000004 110.928 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.51 155.36 26.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 74.230000000000004 110.863 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.97 -130.32 33.04 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 63.420000000000002 112.455 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.642 ' HB2' ' CE2' ' D' ' 4' ' ' PHE . . . -103.08 113.49 27.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.734 0.302 . . . . 75.219999999999999 111.065 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.522 ' N ' HD13 ' I' ' 31' ' ' ILE . 0.0 OUTLIER -117.31 114.47 45.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 71.219999999999999 111.111 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -129.96 121.07 51.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 62.020000000000003 111.107 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 33' ' ' GLY . . . . . 0.499 ' C ' HD13 ' I' ' 34' ' ' LEU . . . -50.55 -52.56 28.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 72.409999999999997 112.47 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.777 ' N ' HD13 ' I' ' 34' ' ' LEU . 0.0 OUTLIER -154.9 153.68 31.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.786 0.327 . . . . 75.129999999999995 110.949 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.6 mtp -128.64 118.63 23.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 42.420000000000002 110.917 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 73.8 t -138.49 111.12 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 62.340000000000003 111.132 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.14 30.11 76.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.78 -0.724 . . . . 71.129999999999995 112.494 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.7 -173.55 16.88 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.757 . . . . 71.319999999999993 112.514 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 0.899 HG23 HG13 ' H' ' 39' ' ' VAL . 12.2 p -163.76 151.35 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.891 0.377 . . . . 74.349999999999994 111.087 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' I' I ' 40' ' ' VAL . . . . . 0.719 HG22 ' HA ' ' H' ' 40' ' ' VAL . 14.3 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 60.210000000000001 111.122 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.821 0.343 . . . . 74.430000000000007 110.822 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.8 91.67 5.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 53.450000000000003 111.089 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.05 -29.24 28.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 72.430000000000007 110.858 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' J' J ' 4' ' ' PHE . . . . . 0.652 ' CE2' ' HB2' ' E' ' 30' ' ' ALA . 0.2 OUTLIER -161.03 115.31 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 61.530000000000001 110.926 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -129.45 108.11 10.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 74.109999999999999 110.892 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -112.79 108.59 17.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 61.399999999999999 110.9 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -108.91 101.39 10.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 72.319999999999993 110.841 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 7.7 t -151.73 169.54 21.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 62.039999999999999 110.881 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.37 -15.05 14.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.803 -0.713 . . . . 55.530000000000001 112.482 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -154.25 109.08 3.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 74.420000000000002 110.943 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -99.58 120.56 39.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 63.5 110.881 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 31.0 t -125.16 114.19 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 54.350000000000001 111.105 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -122.68 116.69 24.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 71.140000000000001 110.809 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -128.54 119.5 24.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 75.010000000000005 110.859 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.26 133.27 54.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 75.310000000000002 110.918 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 16' ' ' LYS . . . . . 0.448 ' O ' HD22 ' J' ' 17' ' ' LEU . 12.1 tttp -126.94 115.81 19.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 71.420000000000002 110.883 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.637 HD13 ' HB2' ' I' ' 17' ' ' LEU . 4.4 mm? -122.29 104.24 9.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 64.329999999999998 110.913 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.552 ' CG1' ' HB2' ' J' ' 21' ' ' ALA . 39.1 t -102.0 114.92 42.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 73.420000000000002 111.143 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.471 ' HE1' HD12 ' J' ' 17' ' ' LEU . 9.6 m-30 -102.75 97.18 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 71.120000000000005 110.891 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 59.39 90.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 70.340000000000003 110.862 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' J' J ' 21' ' ' ALA . . . . . 0.552 ' HB2' ' CG1' ' J' ' 18' ' ' VAL . . . -116.09 140.53 49.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 44.329999999999998 111.089 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.44 85.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 71.140000000000001 110.905 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.604 HG22 ' H ' ' J' ' 26' ' ' SER . 7.6 p -125.12 124.76 68.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 74.510000000000005 111.109 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.03 -33.27 36.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.746 . . . . 64.150000000000006 112.498 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' J' J ' 26' ' ' SER . . . . . 0.604 ' H ' HG22 ' J' ' 24' ' ' VAL . 0.6 OUTLIER -178.94 135.89 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.872 0.367 . . . . 54.32 110.873 -179.706 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' J' J ' 27' ' ' ASN . . . . . 0.505 ' OD1' HG21 ' J' ' 24' ' ' VAL . 19.8 m-20 -97.91 99.0 10.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 61.310000000000002 110.863 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.93 155.47 26.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 74.299999999999997 110.877 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 29' ' ' GLY . . . . . 0.407 ' HA2' ' HA ' ' E' ' 3' ' ' GLU . . . 66.72 -132.26 31.8 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 42.450000000000003 112.442 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 0.638 ' HB2' ' CE2' ' E' ' 4' ' ' PHE . . . -100.55 114.37 27.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.752 0.31 . . . . 44.32 111.13 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.484 HG22 HG13 ' I' ' 31' ' ' ILE . 0.0 OUTLIER -115.0 115.57 49.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 73.349999999999994 111.121 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -130.04 118.32 43.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 71.450000000000003 111.152 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' J' J ' 33' ' ' GLY . . . . . 0.581 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -51.84 -49.5 47.75 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.752 . . . . 43.130000000000003 112.515 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.753 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -154.8 153.58 31.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.757 0.313 . . . . 73.129999999999995 110.969 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -130.69 117.71 19.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 74.140000000000001 110.902 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 73.9 t -143.16 111.05 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 54.210000000000001 111.086 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.61 30.29 77.06 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.721 -0.752 . . . . 74.010000000000005 112.491 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.12 -173.06 16.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.8 -0.714 . . . . 73.420000000000002 112.488 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.857 HG23 HG13 ' I' ' 39' ' ' VAL . 11.9 p -162.99 149.97 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 73.430000000000007 111.159 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.696 HG22 ' HA ' ' I' ' 40' ' ' VAL . 16.5 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 74.420000000000002 111.119 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.815 0.341 . . . . 64.200000000000003 110.889 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.32 84.46 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 25.420000000000002 111.08 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -52.99 -31.78 42.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 64.239999999999995 110.897 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.666 ' CE2' ' HB2' ' F' ' 30' ' ' ALA . 1.2 m-85 -156.4 113.16 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 71.019999999999996 110.872 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.99 108.31 6.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 73.439999999999998 110.855 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -112.43 131.22 55.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 73.530000000000001 110.872 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -135.47 101.56 4.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 74.420000000000002 110.832 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.6 m -145.35 176.44 9.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 41.149999999999999 110.852 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.35 -9.98 49.35 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.79 -0.719 . . . . 65.5 112.502 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.25 114.73 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.88 0.371 . . . . 74.019999999999996 110.956 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -97.77 120.12 37.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 61.350000000000001 110.897 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.3 t -127.13 125.33 66.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 64.150000000000006 111.156 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -137.85 118.75 14.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 70.409999999999997 110.844 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -136.08 133.34 37.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 73.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -122.9 133.31 54.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.349999999999994 110.938 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.555 ' O ' HD22 ' A' ' 17' ' ' LEU . 8.7 tptm -128.72 118.91 23.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 71.349999999999994 110.903 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.642 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.5 mm? -126.75 103.75 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 62.25 110.939 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.62 HG12 ' HB2' ' A' ' 21' ' ' ALA . 2.1 t -109.73 111.22 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 62.310000000000002 111.108 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.457 ' HE1' HD12 ' A' ' 17' ' ' LEU . 6.9 m-85 -103.32 141.12 36.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 75.310000000000002 110.901 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.705 ' HE1' HG22 ' A' ' 31' ' ' ILE . 17.2 m-85 62.64 36.18 13.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 72.519999999999996 110.898 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.62 ' HB2' HG12 ' A' ' 18' ' ' VAL . . . -87.6 125.92 34.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 54.130000000000003 111.051 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.36 72.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 62.420000000000002 110.808 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 p -139.36 139.95 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.310000000000002 111.108 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.79 -92.29 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 70.120000000000005 112.461 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.0 m -125.06 143.6 50.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 72.310000000000002 110.87 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -100.13 99.48 10.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 62.549999999999997 110.91 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.39 168.59 10.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 74.340000000000003 110.866 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.31 -125.27 20.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 61.409999999999997 112.481 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.668 ' HB2' ' CE2' ' F' ' 4' ' ' PHE . . . -101.74 114.16 27.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.751 0.31 . . . . 33.43 111.108 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.709 HD12 ' O ' ' B' ' 30' ' ' ALA . 0.3 OUTLIER -129.25 117.8 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 62.25 111.124 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.649 HG21 ' HG3' ' A' ' 35' ' ' MET . 6.3 mt -133.98 119.19 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 62.119999999999997 111.111 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.01 -54.37 18.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 51.109999999999999 112.503 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.835 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -159.45 152.11 21.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.794 0.331 . . . . 71.349999999999994 110.951 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.649 ' HG3' HG21 ' A' ' 32' ' ' ILE . 10.9 mtp -134.53 127.96 32.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 63.200000000000003 110.884 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.979 HG11 HG21 ' F' ' 36' ' ' VAL . 45.2 t -130.16 119.03 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 74.420000000000002 111.142 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.31 25.21 64.5 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.711 -0.757 . . . . 65.420000000000002 112.516 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.24 157.48 22.01 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.767 -0.73 . . . . 42.409999999999997 112.512 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.659 HG22 HG12 ' B' ' 39' ' ' VAL . 12.0 m -123.8 177.74 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.842 0.353 . . . . 33.030000000000001 111.136 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.696 ' HA ' HG22 ' B' ' 40' ' ' VAL . 21.5 m . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 75.549999999999997 111.165 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.828 0.347 . . . . 65.349999999999994 110.853 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.37 84.38 2.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 64.209999999999994 111.078 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -52.54 -29.97 28.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 74.140000000000001 110.89 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.704 ' CE2' ' HB2' ' G' ' 30' ' ' ALA . 1.3 m-85 -157.74 112.24 2.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 65.519999999999996 110.905 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.43 107.38 7.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 75.420000000000002 110.885 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -112.55 130.55 55.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 70.049999999999997 110.858 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -134.99 101.49 4.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.310000000000002 110.82 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 10.5 m -144.65 176.12 9.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 75.519999999999996 110.897 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.65 -10.11 48.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.786 -0.721 . . . . 75.329999999999998 112.514 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -172.44 113.0 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 74.299999999999997 110.94 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -95.4 120.38 35.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 74.439999999999998 110.863 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 56.5 t -125.85 124.01 65.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 75.409999999999997 111.15 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -138.19 117.41 12.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 65.040000000000006 110.877 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -136.05 133.32 37.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 74.310000000000002 110.866 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -120.19 134.11 55.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 62.340000000000003 110.935 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.588 ' O ' HD22 ' B' ' 17' ' ' LEU . 8.7 tptm -124.75 118.92 27.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 73.349999999999994 110.915 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.642 HD13 ' HB2' ' A' ' 17' ' ' LEU . 4.5 mm? -127.74 103.72 7.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 74.040000000000006 110.912 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.844 HG12 ' HB2' ' B' ' 21' ' ' ALA . 1.7 t -110.76 112.99 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 72.109999999999999 111.175 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.49 ' CE1' HD12 ' B' ' 17' ' ' LEU . 4.6 m-85 -107.37 136.71 46.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 75.420000000000002 110.858 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.709 ' HE1' HG22 ' B' ' 31' ' ' ILE . 21.0 m-85 62.3 35.19 15.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 63.32 110.849 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.844 ' HB2' HG12 ' B' ' 18' ' ' VAL . . . -87.12 124.77 33.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 74.109999999999999 111.093 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.84 72.92 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 71.439999999999998 110.863 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 4.9 p -139.89 139.61 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 75.340000000000003 111.18 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.56 -91.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 30.309999999999999 112.53 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 27.0 m -124.12 143.6 50.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 70.25 110.83 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -102.02 99.92 10.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 71.109999999999999 110.925 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.77 169.77 8.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 75.439999999999998 110.888 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.76 -126.89 26.61 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.704 -0.76 . . . . 74.329999999999998 112.481 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.709 ' O ' HD12 ' A' ' 31' ' ' ILE . . . -101.96 113.32 26.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.754 0.311 . . . . 70.319999999999993 111.09 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.719 HD12 ' O ' ' C' ' 30' ' ' ALA . 0.2 OUTLIER -127.31 116.84 45.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 74.25 111.101 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.551 HG21 ' HG3' ' B' ' 35' ' ' MET . 5.6 mt -131.42 120.19 45.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 70.510000000000005 111.143 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.53 -55.53 16.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.684 -0.77 . . . . 54.039999999999999 112.505 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.845 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -155.58 151.14 27.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 74.040000000000006 110.939 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.551 ' HG3' HG21 ' B' ' 32' ' ' ILE . 10.1 mtp -131.91 123.21 26.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 71.510000000000005 110.875 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.851 HG11 HG11 ' G' ' 36' ' ' VAL . 44.6 t -130.2 117.68 41.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 62.310000000000002 111.151 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.34 26.43 61.7 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.771 -0.728 . . . . 70.209999999999994 112.464 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.37 157.15 21.62 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 70.400000000000006 112.483 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.749 HG22 HG12 ' C' ' 39' ' ' VAL . 10.4 m -123.55 177.37 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 73.239999999999995 111.163 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.703 ' HA ' HG22 ' C' ' 40' ' ' VAL . 16.8 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 72.209999999999994 111.104 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.808 0.337 . . . . 72.329999999999998 110.875 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.15 84.03 2.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 71.329999999999998 111.135 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -53.49 -28.6 31.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 75.109999999999999 110.884 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 4' ' ' PHE . . . . . 0.695 ' CE2' ' HB2' ' H' ' 30' ' ' ALA . 1.4 m-85 -157.41 112.46 2.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 74.549999999999997 110.919 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.59 106.75 7.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 72.430000000000007 110.914 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -113.04 131.13 55.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 73.409999999999997 110.865 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -135.43 101.52 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 62.210000000000001 110.879 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 10.4 m -144.24 175.78 9.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 61.229999999999997 110.88 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.68 -10.11 47.89 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.788 -0.72 . . . . 61.32 112.475 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -172.39 112.72 0.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.872 0.368 . . . . 74.299999999999997 110.935 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.95 120.36 35.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 74.150000000000006 110.926 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 56.9 t -125.06 123.59 65.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 50.219999999999999 111.102 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -138.26 116.64 11.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 75.129999999999995 110.839 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -135.31 134.87 40.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 71.219999999999999 110.84 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -121.44 134.62 55.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 62.130000000000003 110.903 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.619 ' O ' HD22 ' C' ' 17' ' ' LEU . 8.5 tptm -123.15 117.88 26.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 60.299999999999997 110.896 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.638 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.6 mm? -128.91 103.25 6.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 73.140000000000001 110.893 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.855 HG12 ' HB2' ' C' ' 21' ' ' ALA . 1.4 t -112.01 114.33 46.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 74.319999999999993 111.106 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.472 ' HE1' HD12 ' C' ' 17' ' ' LEU . 3.0 m-85 -107.89 136.2 48.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 72.319999999999993 110.897 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.711 ' HE1' HG22 ' C' ' 31' ' ' ILE . 21.9 m-85 60.87 35.56 19.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 71.430000000000007 110.919 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 0.855 ' HB2' HG12 ' C' ' 18' ' ' VAL . . . -87.49 124.75 33.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 72.010000000000005 111.103 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.0 73.46 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 63.140000000000001 110.891 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 5.7 p -140.18 139.17 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 75.230000000000004 111.164 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.8 -91.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 64.239999999999995 112.487 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 26.7 m -123.82 143.1 50.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 40.340000000000003 110.882 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -102.18 99.92 10.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.140000000000001 110.874 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.17 170.57 8.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 74.409999999999997 110.915 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.81 -127.79 28.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 73.129999999999995 112.453 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.719 ' O ' HD12 ' B' ' 31' ' ' ILE . . . -102.0 112.95 25.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.736 0.303 . . . . 60.039999999999999 111.089 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.714 HD12 ' O ' ' D' ' 30' ' ' ALA . 0.2 OUTLIER -126.63 116.29 44.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 64.319999999999993 111.12 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.575 HG21 ' HG3' ' C' ' 35' ' ' MET . 5.4 mt -130.35 119.78 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 74.340000000000003 111.099 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.87 -56.17 12.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 33.32 112.483 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.865 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -154.16 149.73 27.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.812 0.339 . . . . 73.420000000000002 110.925 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.575 ' HG3' HG21 ' C' ' 32' ' ' ILE . 10.3 mtp -130.41 122.69 28.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 72.329999999999998 110.889 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.933 HG11 HG11 ' H' ' 36' ' ' VAL . 47.5 t -131.58 117.87 36.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.267 -0.424 . . . . 73.439999999999998 111.089 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.12 27.2 57.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 53.439999999999998 112.524 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.53 157.06 21.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.742 -0.742 . . . . 72.349999999999994 112.531 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.791 HG22 HG12 ' D' ' 39' ' ' VAL . 9.0 m -123.32 177.16 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 62.119999999999997 111.17 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.728 ' HA ' HG22 ' D' ' 40' ' ' VAL . 16.7 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 74.129999999999995 111.138 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.821 0.343 . . . . 73.310000000000002 110.878 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.26 84.92 3.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 63.329999999999998 111.087 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.65 -27.47 27.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 53.329999999999998 110.855 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 4' ' ' PHE . . . . . 0.669 ' CE2' ' HB2' ' I' ' 30' ' ' ALA . 1.5 m-85 -156.92 112.82 2.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 71.319999999999993 110.887 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.56 107.18 8.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 65.230000000000004 110.905 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -114.39 131.21 56.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 70.430000000000007 110.855 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -134.67 101.57 4.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 73.409999999999997 110.858 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 10.0 m -144.39 174.67 10.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 71.239999999999995 110.853 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.02 -9.32 48.97 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.718 -0.753 . . . . 63.420000000000002 112.485 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -172.16 113.5 0.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 75.5 110.961 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.45 121.22 36.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 73.310000000000002 110.872 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 53.7 t -124.65 122.79 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 71.200000000000003 111.159 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -138.56 116.79 11.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 72.200000000000003 110.869 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -136.29 135.48 38.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 70.239999999999995 110.851 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -122.65 134.88 54.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 71.219999999999999 110.902 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 16' ' ' LYS . . . . . 0.657 ' O ' HD22 ' D' ' 17' ' ' LEU . 8.6 tptm -121.81 116.7 24.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 75.010000000000005 110.829 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.657 HD22 ' O ' ' D' ' 16' ' ' LYS . 4.6 mm? -130.37 103.43 6.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 71.019999999999996 110.93 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.841 HG12 ' HB2' ' D' ' 21' ' ' ALA . 0.9 OUTLIER -112.91 117.1 54.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 71.420000000000002 111.094 179.867 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.477 ' HE1' HD12 ' D' ' 17' ' ' LEU . 1.9 m-85 -108.92 136.72 48.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 64.129999999999995 110.865 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.701 ' HE1' HG22 ' D' ' 31' ' ' ILE . 19.7 m-85 59.24 34.7 23.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 53.509999999999998 110.823 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 21' ' ' ALA . . . . . 0.841 ' HB2' HG12 ' D' ' 18' ' ' VAL . . . -88.33 125.4 34.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 74.519999999999996 111.113 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.71 72.37 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 64.129999999999995 110.804 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 p -140.15 138.01 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 54.43 111.11 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.23 -91.2 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 62.340000000000003 112.502 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 26.5 m -123.72 142.75 50.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 73.420000000000002 110.901 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -101.96 99.75 9.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 73.209999999999994 110.924 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.69 170.83 8.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 64.310000000000002 110.937 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.07 -127.83 29.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 71.150000000000006 112.489 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.714 ' O ' HD12 ' C' ' 31' ' ' ILE . . . -102.52 112.83 25.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.714 0.292 . . . . 72.129999999999995 111.097 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.701 HG22 ' HE1' ' D' ' 20' ' ' PHE . 0.2 OUTLIER -126.99 116.69 45.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 72.319999999999993 111.145 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.671 HG21 ' HG3' ' D' ' 35' ' ' MET . 5.3 mt -129.9 119.51 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 74.420000000000002 111.118 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.65 -57.48 9.47 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 45.219999999999999 112.506 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.867 HD22 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -152.56 147.65 26.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.864 0.364 . . . . 64.430000000000007 110.898 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.671 ' HG3' HG21 ' D' ' 32' ' ' ILE . 10.8 mtp -130.99 122.41 26.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 71.010000000000005 110.874 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.898 HG11 HG11 ' I' ' 36' ' ' VAL . 48.3 t -132.58 116.39 27.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 64.120000000000005 111.142 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.53 27.51 61.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 71.129999999999995 112.498 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.88 158.4 21.39 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 70.409999999999997 112.492 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.884 HG22 HG12 ' E' ' 39' ' ' VAL . 6.4 m -122.43 177.35 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.865 0.364 . . . . 73.049999999999997 111.112 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.74 ' HA ' HG22 ' E' ' 40' ' ' VAL . 17.7 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 73.219999999999999 111.116 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.833 0.349 . . . . 75.239999999999995 110.854 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.82 84.42 3.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 53.329999999999998 111.123 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 3' ' ' GLU . . . . . 0.402 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . 1.5 mp0 -53.13 -27.92 23.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 64.019999999999996 110.895 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 4' ' ' PHE . . . . . 0.599 ' CE2' ' HB2' ' J' ' 30' ' ' ALA . 1.6 m-85 -155.56 114.01 3.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 74.430000000000007 110.913 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.89 106.57 8.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 72.439999999999998 110.849 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -116.21 131.28 56.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 75.120000000000005 110.869 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -132.86 101.11 5.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 75.109999999999999 110.905 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 9.7 m -145.44 170.86 15.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 64.439999999999998 110.876 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.78 -8.51 51.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 55.32 112.477 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -170.99 112.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 75.420000000000002 110.943 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -96.19 121.65 38.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 73.510000000000005 110.887 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -123.49 122.74 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 72.010000000000005 111.078 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -139.31 115.38 10.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 60.409999999999997 110.866 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -136.21 135.93 39.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 73.219999999999999 110.9 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -122.56 138.45 54.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 72.439999999999998 110.887 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 16' ' ' LYS . . . . . 0.685 ' O ' HD22 ' E' ' 17' ' ' LEU . 8.2 tptm -122.67 114.85 21.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 73.329999999999998 110.843 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.685 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.5 mm? -130.68 105.64 7.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 50.210000000000001 110.903 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.81 HG12 ' HB2' ' E' ' 21' ' ' ALA . 0.2 OUTLIER -113.39 120.19 62.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 74.129999999999995 111.123 179.799 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.5 ' HE1' HD12 ' E' ' 17' ' ' LEU . 1.7 m-85 -110.85 134.84 52.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 73.439999999999998 110.836 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.622 ' HE1' HG22 ' E' ' 31' ' ' ILE . 22.4 m-85 57.01 35.3 26.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 74.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 21' ' ' ALA . . . . . 0.81 ' HB2' HG12 ' E' ' 18' ' ' VAL . . . -90.6 127.17 36.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 74.540000000000006 111.117 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.99 72.56 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 73.230000000000004 110.849 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 p -140.78 136.02 34.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 74.329999999999998 111.092 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.28 -90.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 63.520000000000003 112.45 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 25.1 m -124.72 140.95 52.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.947 0.403 . . . . 70.420000000000002 110.798 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -101.32 99.71 10.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 65.010000000000005 110.857 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.59 170.8 8.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 64.230000000000004 110.909 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.71 -128.62 33.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 42.25 112.501 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.694 ' O ' HD12 ' D' ' 31' ' ' ILE . . . -103.43 113.38 26.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 61.210000000000001 111.102 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.622 HG22 ' HE1' ' E' ' 20' ' ' PHE . 0.3 OUTLIER -128.26 116.75 43.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 75.319999999999993 111.132 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.654 HG21 ' HG3' ' E' ' 35' ' ' MET . 5.2 mt -126.16 120.61 57.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 52.329999999999998 111.128 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 33' ' ' GLY . . . . . 0.454 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -51.47 -54.23 25.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.751 . . . . 64.129999999999995 112.516 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.813 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -152.98 150.85 29.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 71.540000000000006 110.918 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.654 ' HG3' HG21 ' E' ' 32' ' ' ILE . 10.9 mtp -134.63 120.47 19.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 64.140000000000001 110.84 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.747 HG11 HG11 ' J' ' 36' ' ' VAL . 47.1 t -134.26 115.26 20.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 65.329999999999998 111.107 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.49 27.63 54.37 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 72.120000000000005 112.538 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.05 159.99 21.25 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 75.420000000000002 112.421 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.884 HG12 HG22 ' D' ' 39' ' ' VAL . 10.8 m -123.17 178.66 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.366 . . . . 63.240000000000002 111.14 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.74 HG22 ' HA ' ' D' ' 40' ' ' VAL . 18.2 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 71.400000000000006 111.14 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.824 0.345 . . . . 61.140000000000001 110.869 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.6 83.89 3.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 41.310000000000002 111.109 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -52.31 -31.69 34.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 70.409999999999997 110.884 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 4' ' ' PHE . . . . . 0.668 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 1.5 m-85 -156.69 114.53 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 74.319999999999993 110.838 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.06 108.31 7.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 74.420000000000002 110.887 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -112.14 130.47 55.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 73.049999999999997 110.861 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -135.02 101.85 5.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 65.439999999999998 110.878 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 10.6 m -145.3 176.01 9.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 73.409999999999997 110.861 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.19 -9.9 50.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 74.230000000000004 112.49 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.23 114.74 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.878 0.37 . . . . 72.019999999999996 110.941 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -97.28 119.89 36.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 74.329999999999998 110.874 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 53.7 t -126.75 125.2 66.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 63.210000000000001 111.139 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -137.59 118.58 14.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 61.329999999999998 110.854 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -136.57 132.67 35.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 63.229999999999997 110.862 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -122.78 133.4 54.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 75.230000000000004 110.937 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 16' ' ' LYS . . . . . 0.572 ' O ' HD22 ' F' ' 17' ' ' LEU . 8.7 tptm -128.43 119.05 24.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 73.510000000000005 110.904 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.631 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.5 mm? -126.95 103.38 7.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 74.439999999999998 110.92 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.625 HG12 ' HB2' ' F' ' 21' ' ' ALA . 2.1 t -109.75 111.74 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 75.140000000000001 111.142 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.443 ' HE1' HD12 ' F' ' 17' ' ' LEU . 7.0 m-85 -103.47 141.15 36.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 61.329999999999998 110.896 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 20' ' ' PHE . . . . . 0.707 ' HE1' HG22 ' F' ' 31' ' ' ILE . 17.1 m-85 62.63 35.78 14.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 75.319999999999993 110.923 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 21' ' ' ALA . . . . . 0.625 ' HB2' HG12 ' F' ' 18' ' ' VAL . . . -87.42 126.97 35.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 42.119999999999997 111.103 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.26 71.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 61.549999999999997 110.9 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 p -139.27 139.77 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 52.299999999999997 111.12 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.61 -92.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 72.340000000000003 112.444 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 26.8 m -124.05 142.63 51.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.911 0.386 . . . . 64.230000000000004 110.835 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -98.85 99.06 10.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 74.430000000000007 110.893 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.0 168.79 9.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 74.340000000000003 110.943 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.9 -127.29 23.79 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 73.099999999999994 112.51 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.666 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . . . -100.59 114.19 27.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.719 0.295 . . . . 72.310000000000002 111.126 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.707 HG22 ' HE1' ' F' ' 20' ' ' PHE . 0.2 OUTLIER -128.16 119.01 49.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 74.420000000000002 111.144 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' F' F ' 32' ' ' ILE . . . . . 0.628 HG21 ' HG3' ' F' ' 35' ' ' MET . 6.4 mt -134.32 118.65 27.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 65.150000000000006 111.134 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.61 -54.82 15.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 54.25 112.497 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.833 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -159.24 151.93 21.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.791 0.329 . . . . 73.200000000000003 110.922 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' F' F ' 35' ' ' MET . . . . . 0.628 ' HG3' HG21 ' F' ' 32' ' ' ILE . 11.0 mtp -134.06 127.18 31.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 70.230000000000004 110.881 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.979 HG21 HG11 ' A' ' 36' ' ' VAL . 45.8 t -129.99 119.18 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 64.400000000000006 111.135 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.58 25.57 63.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 62.100000000000001 112.499 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.89 157.03 21.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 51.200000000000003 112.501 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.655 HG22 HG12 ' G' ' 39' ' ' VAL . 11.8 m -123.58 177.46 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 73.209999999999994 111.156 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.721 ' HA ' HG22 ' G' ' 40' ' ' VAL . 20.0 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 75.349999999999994 111.147 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.816 0.341 . . . . 73.030000000000001 110.873 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.46 84.95 3.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 71.430000000000007 111.075 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -51.62 -30.6 22.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 71.239999999999995 110.904 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 4' ' ' PHE . . . . . 0.698 ' CE2' ' HB2' ' B' ' 30' ' ' ALA . 1.6 m-85 -157.46 113.94 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 73.319999999999993 110.846 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.62 107.44 7.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 73.109999999999999 110.866 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -112.17 129.95 56.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 63.329999999999998 110.862 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -134.71 101.62 5.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 74.030000000000001 110.866 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 10.4 m -144.68 175.84 9.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 72.129999999999995 110.878 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.79 -10.09 47.59 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.796 -0.716 . . . . 45.130000000000003 112.534 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -172.31 113.03 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.872 0.368 . . . . 73.540000000000006 110.924 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -94.87 120.08 34.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 52.229999999999997 110.901 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 56.6 t -125.54 123.73 65.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 75.219999999999999 111.142 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -138.29 117.85 13.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 73.420000000000002 110.835 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -136.8 133.26 35.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 75.310000000000002 110.835 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -120.31 133.89 55.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 73.209999999999994 110.892 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 16' ' ' LYS . . . . . 0.581 ' O ' HD22 ' G' ' 17' ' ' LEU . 8.6 tptm -124.61 118.61 26.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 71.319999999999993 110.889 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.632 ' HB2' HD13 ' H' ' 17' ' ' LEU . 4.5 mm? -127.71 103.74 7.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 41.119999999999997 110.89 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.832 HG12 ' HB2' ' G' ' 21' ' ' ALA . 1.7 t -110.99 113.4 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 74.150000000000006 111.124 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.476 ' CE1' HD12 ' G' ' 17' ' ' LEU . 4.4 m-85 -107.45 136.83 46.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 73.540000000000006 110.886 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 0.706 ' HE1' HG22 ' G' ' 31' ' ' ILE . 20.7 m-85 62.35 35.06 15.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 73.310000000000002 110.853 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 21' ' ' ALA . . . . . 0.832 ' HB2' HG12 ' G' ' 18' ' ' VAL . . . -87.25 125.56 34.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 71.409999999999997 111.109 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.73 72.47 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 53.229999999999997 110.875 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 5.3 p -139.69 139.7 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 72.129999999999995 111.126 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.63 -91.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 60.539999999999999 112.462 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 27.3 m -123.32 142.77 50.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 71.519999999999996 110.836 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -101.78 99.5 9.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 63.149999999999999 110.875 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.78 170.22 8.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 75.519999999999996 110.871 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.32 -128.07 26.75 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 51.43 112.503 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.704 ' HB2' ' CE2' ' B' ' 4' ' ' PHE . . . -101.22 113.71 27.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.747 0.308 . . . . 64.549999999999997 111.102 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.724 HD12 ' O ' ' H' ' 30' ' ' ALA . 0.2 OUTLIER -126.68 117.53 48.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 74.209999999999994 111.149 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.57 HG21 ' HG3' ' G' ' 35' ' ' MET . 5.8 mt -131.47 120.12 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 51.420000000000002 111.134 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.01 -55.67 17.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.782 -0.723 . . . . 72.120000000000005 112.469 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.861 HD22 ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -155.54 151.09 27.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.885 0.374 . . . . 73.549999999999997 110.895 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.57 ' HG3' HG21 ' G' ' 32' ' ' ILE . 9.8 mtp -131.59 122.94 26.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 64.25 110.909 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.851 HG11 HG11 ' B' ' 36' ' ' VAL . 43.7 t -130.59 118.02 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 62.140000000000001 111.1 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.77 26.27 60.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 63.130000000000003 112.479 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.15 157.12 21.54 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 73.340000000000003 112.528 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.724 HG22 HG12 ' H' ' 39' ' ' VAL . 9.4 m -123.79 177.72 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 74.230000000000004 111.165 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.727 ' HA ' HG22 ' H' ' 40' ' ' VAL . 17.3 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 61.420000000000002 111.168 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.794 0.331 . . . . 75.430000000000007 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.23 84.83 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 65.329999999999998 111.067 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -51.06 -30.83 16.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 63.530000000000001 110.856 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 4' ' ' PHE . . . . . 0.691 ' CE2' ' HB2' ' C' ' 30' ' ' ALA . 1.6 m-85 -157.4 114.27 2.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 74.400000000000006 110.847 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.99 107.28 8.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 74.310000000000002 110.829 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -112.55 129.84 56.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 74.409999999999997 110.856 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -134.58 101.64 5.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 74.129999999999995 110.923 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 10.2 m -144.48 175.4 10.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 60.420000000000002 110.862 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.58 -10.17 48.05 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.815 -0.707 . . . . 73.549999999999997 112.497 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -172.37 112.88 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.834 0.35 . . . . 72.109999999999999 110.887 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.32 120.22 34.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 53.520000000000003 110.878 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 58.5 t -124.76 123.49 65.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 74.129999999999995 111.124 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -138.64 117.43 12.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 63.32 110.869 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -136.26 135.08 38.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 73.319999999999993 110.893 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -121.47 134.61 55.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 72.340000000000003 110.932 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 16' ' ' LYS . . . . . 0.617 ' O ' HD22 ' H' ' 17' ' ' LEU . 8.4 tptm -123.36 117.32 24.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 73.219999999999999 110.931 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.632 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.6 mm? -128.93 103.25 6.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 71.430000000000007 110.956 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.838 HG12 ' HB2' ' H' ' 21' ' ' ALA . 1.4 t -112.34 114.48 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 75.299999999999997 111.155 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.467 ' HE1' HD12 ' H' ' 17' ' ' LEU . 2.9 m-85 -107.82 136.23 47.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 74.140000000000001 110.877 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 20' ' ' PHE . . . . . 0.708 ' HE1' HG22 ' H' ' 31' ' ' ILE . 21.5 m-85 60.91 35.33 19.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 72.140000000000001 110.903 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 21' ' ' ALA . . . . . 0.838 ' HB2' HG12 ' H' ' 18' ' ' VAL . . . -87.8 125.7 34.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 72.439999999999998 111.105 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.82 72.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 64.219999999999999 110.845 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 p -139.98 138.83 37.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 73.340000000000003 111.161 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.06 -91.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 73.239999999999995 112.482 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 26.7 m -123.26 142.36 51.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 72.219999999999999 110.835 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -101.99 99.61 9.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 64.310000000000002 110.93 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.44 171.0 7.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 53.240000000000002 110.875 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.67 -128.8 29.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.73 . . . . 72.120000000000005 112.435 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 30' ' ' ALA . . . . . 0.724 ' O ' HD12 ' G' ' 31' ' ' ILE . . . -101.42 113.17 26.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 73.219999999999999 111.142 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.728 HD12 ' O ' ' I' ' 30' ' ' ALA . 0.2 OUTLIER -126.4 117.15 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 73.120000000000005 111.112 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' H' H ' 32' ' ' ILE . . . . . 0.562 HG21 ' HG3' ' H' ' 35' ' ' MET . 5.5 mt -130.42 119.64 46.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 65.019999999999996 111.168 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.89 -56.78 10.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.741 . . . . 70.439999999999998 112.506 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.863 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -153.89 149.25 27.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 72.430000000000007 110.934 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' H' H ' 35' ' ' MET . . . . . 0.562 ' HG3' HG21 ' H' ' 32' ' ' ILE . 10.7 mtp -129.87 122.26 28.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 34.200000000000003 110.86 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.933 HG11 HG11 ' C' ' 36' ' ' VAL . 45.6 t -131.61 117.84 36.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 73.519999999999996 111.163 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.27 26.88 57.08 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 72.439999999999998 112.445 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.28 156.95 21.09 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.735 -0.745 . . . . 75.329999999999998 112.505 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.766 HG22 HG12 ' I' ' 39' ' ' VAL . 6.3 m -123.55 177.12 4.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 70.310000000000002 111.119 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' H' H ' 40' ' ' VAL . . . . . 0.739 ' HA ' HG22 ' I' ' 40' ' ' VAL . 17.0 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 74.129999999999995 111.088 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.818 0.342 . . . . 61.229999999999997 110.843 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.33 84.74 3.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 73.430000000000007 111.119 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -51.43 -30.49 19.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 74.409999999999997 110.866 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 4' ' ' PHE . . . . . 0.655 ' CE2' ' HB2' ' D' ' 30' ' ' ALA . 1.6 m-85 -157.28 114.13 3.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 75.040000000000006 110.892 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.02 107.68 8.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.230000000000004 110.883 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -113.53 130.17 56.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 72.120000000000005 110.853 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -134.16 101.81 5.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 72.109999999999999 110.883 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 10.2 m -145.05 174.68 10.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 73.099999999999994 110.857 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.48 -9.47 47.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.748 . . . . 63.109999999999999 112.532 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -172.22 113.12 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.857 0.36 . . . . 72.230000000000004 110.91 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -94.71 120.89 35.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 73.150000000000006 110.911 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 61.8 t -124.44 122.24 63.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 75.239999999999995 111.141 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -138.19 117.39 12.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.138 -0.483 . . . . 64.099999999999994 110.831 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -136.93 135.29 37.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 64.549999999999997 110.855 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -122.6 135.03 54.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 52.530000000000001 110.912 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 16' ' ' LYS . . . . . 0.671 ' O ' HD22 ' I' ' 17' ' ' LEU . 8.6 tptm -121.71 116.58 24.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 73.25 110.874 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.671 HD22 ' O ' ' I' ' 16' ' ' LYS . 4.6 mm? -130.44 103.13 6.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 63.219999999999999 110.947 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' I' I ' 18' ' ' VAL . . . . . 0.832 HG12 ' HB2' ' I' ' 21' ' ' ALA . 0.8 OUTLIER -113.03 117.41 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 73.129999999999995 111.144 179.871 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' I' I ' 19' ' ' PHE . . . . . 0.478 ' HE1' HD12 ' I' ' 17' ' ' LEU . 1.9 m-85 -109.08 136.38 48.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 75.310000000000002 110.915 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' I' I ' 20' ' ' PHE . . . . . 0.682 ' HE1' HG22 ' I' ' 31' ' ' ILE . 19.8 m-85 59.67 34.23 22.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 74.129999999999995 110.911 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' I' I ' 21' ' ' ALA . . . . . 0.832 ' HB2' HG12 ' I' ' 18' ' ' VAL . . . -88.38 126.36 35.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 50.329999999999998 111.069 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.31 72.44 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 74.549999999999997 110.883 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 p -140.49 137.72 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 71.299999999999997 111.154 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.28 -91.41 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 40.030000000000001 112.519 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 25.9 m -123.19 141.74 51.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.359 . . . . 74.040000000000006 110.86 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -101.61 99.49 9.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 63.509999999999998 110.884 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.38 171.4 7.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 45.32 110.918 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.96 -129.06 30.93 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 62.43 112.472 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.728 ' O ' HD12 ' H' ' 31' ' ' ILE . . . -101.7 113.27 26.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.76 0.314 . . . . 74.319999999999993 111.075 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.705 HD12 ' O ' ' J' ' 30' ' ' ALA . 0.2 OUTLIER -126.73 117.22 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 73.340000000000003 111.145 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' I' I ' 32' ' ' ILE . . . . . 0.669 HG21 ' HG3' ' I' ' 35' ' ' MET . 5.4 mt -129.75 119.26 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 70.219999999999999 111.114 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.85 -58.14 8.88 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 74.319999999999993 112.454 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.872 HD22 ' O ' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -152.29 147.61 26.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.793 0.33 . . . . 73.409999999999997 110.949 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' I' I ' 35' ' ' MET . . . . . 0.669 ' HG3' HG21 ' I' ' 32' ' ' ILE . 11.1 mtp -130.55 121.88 26.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 73.439999999999998 110.893 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.898 HG11 HG11 ' D' ' 36' ' ' VAL . 47.1 t -132.66 117.38 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 73.420000000000002 111.148 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.98 26.72 58.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 40.409999999999997 112.499 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.86 157.98 21.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.791 -0.719 . . . . 45.100000000000001 112.492 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 0.864 HG22 HG12 ' J' ' 39' ' ' VAL . 5.2 m -123.52 178.11 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.36 . . . . 64.120000000000005 111.143 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' I' I ' 40' ' ' VAL . . . . . 0.739 HG22 ' HA ' ' H' ' 40' ' ' VAL . 16.9 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 50.049999999999997 111.126 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.826 0.346 . . . . 74.329999999999998 110.841 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.12 83.49 3.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 61.32 111.072 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -51.74 -30.06 21.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 73.129999999999995 110.916 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' J' J ' 4' ' ' PHE . . . . . 0.627 ' CZ ' ' HB2' ' E' ' 30' ' ' ALA . 1.7 m-85 -157.55 114.61 2.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 75.140000000000001 110.875 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.98 107.34 8.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 63.119999999999997 110.883 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -115.73 130.48 56.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 73.140000000000001 110.867 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -132.78 101.55 5.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 74.200000000000003 110.857 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 10.2 m -145.66 170.6 16.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 70.5 110.824 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.01 -8.86 53.45 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.695 -0.764 . . . . 75.200000000000003 112.486 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -171.69 112.15 0.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.814 0.34 . . . . 72.010000000000005 110.912 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.32 121.68 37.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 73.099999999999994 110.915 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 57.2 t -123.61 122.6 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.239999999999995 111.134 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -139.07 116.21 11.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 71.540000000000006 110.871 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -136.84 135.66 38.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 74.120000000000005 110.873 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -122.63 138.34 54.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.540000000000006 110.906 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' J' J ' 16' ' ' LYS . . . . . 0.692 ' O ' HD22 ' J' ' 17' ' ' LEU . 8.2 tptm -122.53 114.87 21.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 73.200000000000003 110.892 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.692 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.5 mm? -130.67 105.48 7.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 71.5 110.892 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.772 HG12 ' HB2' ' J' ' 21' ' ' ALA . 0.2 OUTLIER -113.36 120.66 63.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 73.140000000000001 111.132 179.801 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.493 ' HE1' HD12 ' J' ' 17' ' ' LEU . 1.6 m-85 -111.21 134.27 52.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 62.219999999999999 110.898 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' J' J ' 20' ' ' PHE . . . . . 0.598 ' HE1' HG22 ' J' ' 31' ' ' ILE . 21.6 m-85 57.57 34.99 25.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 74.209999999999994 110.842 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' J' J ' 21' ' ' ALA . . . . . 0.772 ' HB2' HG12 ' J' ' 18' ' ' VAL . . . -90.89 128.33 36.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 70.450000000000003 111.082 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.49 73.14 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 74.439999999999998 110.825 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 p -141.63 136.03 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 62.409999999999997 111.182 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.4 -89.41 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 71.329999999999998 112.48 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 26.2 m -125.26 139.63 53.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 73.420000000000002 110.857 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -100.61 99.52 10.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 62.32 110.891 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.15 171.37 7.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 74.519999999999996 110.871 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' J' J ' 29' ' ' GLY . . . . . 0.402 ' HA2' ' HA ' ' E' ' 3' ' ' GLU . . . 51.78 -130.46 35.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 63.149999999999999 112.421 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 0.705 ' O ' HD12 ' I' ' 31' ' ' ILE . . . -102.67 113.07 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 63.240000000000002 111.107 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.598 HG22 ' HE1' ' J' ' 20' ' ' PHE . 0.3 OUTLIER -127.74 118.26 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 74.340000000000003 111.125 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' J' J ' 32' ' ' ILE . . . . . 0.637 HG21 ' HG3' ' J' ' 35' ' ' MET . 5.4 mt -126.16 120.45 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 71.150000000000006 111.144 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' J' J ' 33' ' ' GLY . . . . . 0.424 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -51.23 -54.72 22.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 73.519999999999996 112.481 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.831 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -152.9 150.57 29.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.348 . . . . 64.329999999999998 110.892 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' J' J ' 35' ' ' MET . . . . . 0.637 ' HG3' HG21 ' J' ' 32' ' ' ILE . 10.8 mtp -134.25 120.18 19.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 71.299999999999997 110.895 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.747 HG11 HG11 ' E' ' 36' ' ' VAL . 46.5 t -134.46 115.35 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 74.340000000000003 111.132 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.2 27.33 57.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 43.210000000000001 112.467 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.09 159.82 21.26 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 74.409999999999997 112.47 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.864 HG12 HG22 ' I' ' 39' ' ' VAL . 10.3 m -123.86 177.78 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.37 . . . . 12.01 111.13 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.732 HG22 ' HA ' ' I' ' 40' ' ' VAL . 18.2 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 75.299999999999997 111.117 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.83 0.347 . . . . 51.020000000000003 110.84 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.0 91.62 3.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 74.140000000000001 111.118 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.91 -38.73 83.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 63.219999999999999 110.865 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.687 ' CE1' ' HB2' ' F' ' 30' ' ' ALA . 4.7 m-85 -146.98 112.32 5.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 71.319999999999993 110.907 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.02 108.58 6.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 74.349999999999994 110.894 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -110.6 130.25 55.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 63.340000000000003 110.808 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -135.03 101.5 4.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 73.200000000000003 110.861 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' B' ' 8' ' ' SER . 54.9 p -148.8 177.38 9.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 74.239999999999995 110.883 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.97 -10.58 45.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 41.200000000000003 112.521 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.38 115.43 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 73.400000000000006 110.919 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -107.19 120.66 42.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 61.399999999999999 110.864 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 36.8 t -132.88 113.99 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 61.039999999999999 111.107 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 67.4 m170 -114.0 126.35 55.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 70.239999999999995 110.853 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -136.53 119.22 16.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 63.399999999999999 110.881 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.412 ' HB3' HG11 ' F' ' 39' ' ' VAL . 0.0 OUTLIER -131.43 133.67 45.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 74.219999999999999 110.941 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.569 ' HD3' HG13 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -129.84 116.59 18.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 72.530000000000001 110.885 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.466 HD12 ' HE1' ' A' ' 19' ' ' PHE . 3.8 mm? -112.86 112.59 24.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 72.329999999999998 110.92 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.726 HG12 ' CG2' ' B' ' 18' ' ' VAL . 27.6 m -115.88 120.53 65.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 74.400000000000006 111.107 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.466 ' HE1' HD12 ' A' ' 17' ' ' LEU . 9.4 m-30 -102.99 114.98 29.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 72.209999999999994 110.87 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.464 ' CE2' HG22 ' A' ' 31' ' ' ILE . 14.6 m-30 50.44 74.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 64.420000000000002 110.888 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.75 130.86 39.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 71.120000000000005 111.064 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 63.09 88.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.019999999999996 110.854 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.583 ' CG1' HG23 ' B' ' 24' ' ' VAL . 10.7 p -126.13 137.28 58.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 74.329999999999998 111.187 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.07 -45.68 96.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.758 . . . . 73.540000000000006 112.497 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 m -166.97 133.71 2.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.364 . . . . 71.0 110.842 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.405 ' OD1' HG21 ' A' ' 31' ' ' ILE . 24.0 m-20 -102.08 101.21 11.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 62.109999999999999 110.909 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.81 159.55 20.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 61.350000000000001 110.895 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.95 -130.64 42.41 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 72.310000000000002 112.505 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.679 ' HB2' ' CE1' ' F' ' 4' ' ' PHE . . . -101.76 114.4 28.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.761 0.315 . . . . 53.240000000000002 111.097 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.864 HD13 HG23 ' B' ' 31' ' ' ILE . 0.2 OUTLIER -121.5 111.61 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 71.0 111.114 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -128.5 111.26 23.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 62.049999999999997 111.106 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -45.21 -52.39 8.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.753 -0.737 . . . . 43.009999999999998 112.446 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.808 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -158.27 155.4 28.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.775 0.322 . . . . 74.400000000000006 110.928 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -133.62 126.06 30.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 53.25 110.931 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.498 HG11 HG11 ' F' ' 36' ' ' VAL . 3.2 p -134.49 111.64 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 60.340000000000003 111.138 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.63 18.49 70.13 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.724 . . . . 71.450000000000003 112.469 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.46 -165.19 27.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 33.439999999999998 112.522 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.741 HG13 HG23 ' B' ' 39' ' ' VAL . 6.8 p -168.57 142.84 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.881 0.372 . . . . 64.120000000000005 111.154 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.622 HG12 HG22 ' B' ' 40' ' ' VAL . 31.8 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 55.109999999999999 111.133 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.793 0.33 . . . . 73.530000000000001 110.921 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.81 91.62 3.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 53.350000000000001 111.09 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -59.27 -37.21 77.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 64.540000000000006 110.887 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.686 ' CE1' ' HB2' ' G' ' 30' ' ' ALA . 5.7 m-85 -148.34 111.89 5.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 64.450000000000003 110.882 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.73 108.32 7.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 73.530000000000001 110.853 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -110.97 129.39 55.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 53.5 110.875 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -134.38 101.19 4.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 60.5 110.853 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' C' ' 8' ' ' SER . 55.0 p -148.9 176.82 10.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 71.230000000000004 110.85 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.32 -10.98 43.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.684 -0.77 . . . . 74.340000000000003 112.498 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.44 113.88 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 53.299999999999997 110.897 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -104.74 120.33 41.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 71.310000000000002 110.88 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 36.1 t -131.37 113.87 24.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 72.420000000000002 111.136 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 67.5 m170 -114.53 126.36 54.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 70.439999999999998 110.848 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -136.61 120.03 16.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 73.140000000000001 110.8 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.06 133.13 45.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 71.310000000000002 110.923 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.479 ' HD3' HG13 ' B' ' 18' ' ' VAL . 0.1 OUTLIER -126.85 118.73 25.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 74.099999999999994 110.917 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.52 HD12 ' HE1' ' B' ' 19' ' ' PHE . 3.4 mm? -117.58 111.73 19.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 61.240000000000002 110.944 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.726 ' CG2' HG12 ' A' ' 18' ' ' VAL . 29.4 m -117.43 120.98 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 73.450000000000003 111.131 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.52 ' HE1' HD12 ' B' ' 17' ' ' LEU . 5.1 m-30 -101.86 116.65 33.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 72.439999999999998 110.855 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.664 ' CE2' HG22 ' B' ' 31' ' ' ILE . 13.9 m-30 50.64 73.22 0.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 75.140000000000001 110.929 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.49 131.32 37.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 43.539999999999999 111.092 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.61 88.18 0.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 63.130000000000003 110.888 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.605 ' CG1' HG23 ' C' ' 24' ' ' VAL . 12.4 p -127.25 135.6 63.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 51.030000000000001 111.159 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.87 -44.5 97.35 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 74.209999999999994 112.46 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 9.4 m -166.59 133.75 2.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.908 0.385 . . . . 74.409999999999997 110.835 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -102.47 101.1 11.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 72.230000000000004 110.871 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.1 160.05 20.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 63.119999999999997 110.876 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.88 -131.12 39.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 71.239999999999995 112.468 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.689 ' O ' HD12 ' A' ' 31' ' ' ILE . . . -101.79 114.19 28.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.74 0.305 . . . . 62.329999999999998 111.123 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.864 HG23 HD13 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -122.31 111.37 30.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 53.32 111.154 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 mt -127.03 112.97 30.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 65.0 111.146 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.2 -54.26 6.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.763 . . . . 54.509999999999998 112.501 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.816 ' N ' HD13 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -155.09 153.65 31.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.344 . . . . 63.329999999999998 110.873 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.8 mtp -128.13 122.44 31.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 65.450000000000003 110.861 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.451 ' O ' HG13 ' B' ' 36' ' ' VAL . 3.4 p -137.0 111.61 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 75.019999999999996 111.124 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.64 18.67 66.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 52.520000000000003 112.488 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.09 -165.55 27.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.7 -0.762 . . . . 75.340000000000003 112.454 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.76 HG13 HG23 ' C' ' 39' ' ' VAL . 6.9 p -168.15 141.53 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.917 0.389 . . . . 63.009999999999998 111.104 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.622 HG22 HG12 ' A' ' 40' ' ' VAL . 24.3 m . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 72.310000000000002 111.139 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.837 0.351 . . . . 60.25 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.29 92.02 3.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 62.100000000000001 111.116 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -59.93 -36.21 76.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 72.299999999999997 110.927 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 4' ' ' PHE . . . . . 0.689 ' CE1' ' HB2' ' H' ' 30' ' ' ALA . 5.6 m-85 -148.29 111.87 5.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 74.310000000000002 110.888 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.26 107.87 8.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 75.430000000000007 110.867 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -112.27 128.75 56.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 72.420000000000002 110.864 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -133.71 101.58 5.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 74.230000000000004 110.847 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 8' ' ' SER . . . . . 0.441 ' O ' ' HA ' ' D' ' 8' ' ' SER . 54.8 p -148.78 176.38 10.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 75.129999999999995 110.838 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.73 -10.83 42.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 63.5 112.485 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.47 113.6 0.28 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.817 0.341 . . . . 73.230000000000004 110.941 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -105.02 120.7 42.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 71.420000000000002 110.851 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 38.3 t -131.99 114.16 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 74.439999999999998 111.127 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -114.14 126.78 55.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 74.239999999999995 110.872 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -136.29 120.35 17.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 61.509999999999998 110.863 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 15' ' ' GLN . . . . . 0.405 ' NE2' HD23 ' C' ' 17' ' ' LEU . 0.0 OUTLIER -131.76 132.87 44.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 64.319999999999993 110.939 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.92 119.31 28.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 71.140000000000001 110.877 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.498 HD12 ' HE1' ' C' ' 19' ' ' PHE . 3.7 mm? -119.41 111.01 17.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 73.409999999999997 110.879 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.717 ' CG2' HG12 ' B' ' 18' ' ' VAL . 26.8 m -117.87 121.5 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 74.120000000000005 111.162 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.498 ' HE1' HD12 ' C' ' 17' ' ' LEU . 4.0 m-30 -101.77 115.04 29.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 75.140000000000001 110.91 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.724 ' CE2' HG22 ' C' ' 31' ' ' ILE . 13.0 m-30 51.77 73.11 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 65.040000000000006 110.884 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.64 130.81 38.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 43.340000000000003 111.095 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.49 87.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 75.200000000000003 110.875 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.608 ' CG1' HG23 ' D' ' 24' ' ' VAL . 12.9 p -126.94 135.78 62.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 74.219999999999999 111.115 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.87 -44.89 96.76 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.702 -0.761 . . . . 73.129999999999995 112.468 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 9.6 m -166.5 133.7 2.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 73.439999999999998 110.852 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -102.48 101.02 11.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 74.400000000000006 110.847 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.93 160.22 19.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 72.430000000000007 110.922 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.42 -131.26 38.19 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 71.349999999999994 112.471 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.708 ' O ' HD12 ' B' ' 31' ' ' ILE . . . -101.86 113.61 26.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 52.520000000000003 111.061 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.806 HG23 HD13 ' B' ' 31' ' ' ILE . 0.2 OUTLIER -122.69 111.46 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 72.409999999999997 111.086 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mt -126.15 113.3 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 63.119999999999997 111.157 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -43.61 -55.0 5.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.8 -0.714 . . . . 74.040000000000006 112.482 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.828 ' N ' HD13 ' C' ' 34' ' ' LEU . 0.0 OUTLIER -153.54 152.58 31.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 72.530000000000001 110.922 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -127.96 121.2 29.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 73.230000000000004 110.849 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.443 ' O ' HG13 ' C' ' 36' ' ' VAL . 3.3 p -138.08 112.4 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 70.340000000000003 111.168 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.89 19.29 65.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 41.43 112.498 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.84 -165.17 28.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 32.030000000000001 112.506 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.76 HG23 HG13 ' B' ' 39' ' ' VAL . 6.5 p -167.88 141.11 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.914 0.388 . . . . 70.239999999999995 111.111 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.608 HG22 HG12 ' B' ' 40' ' ' VAL . 25.0 m . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 73.409999999999997 111.137 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.787 0.327 . . . . 75.209999999999994 110.836 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.35 91.99 3.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 70.5 111.085 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -59.64 -35.81 75.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 63.399999999999999 110.889 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 4' ' ' PHE . . . . . 0.672 ' CE1' ' HB2' ' I' ' 30' ' ' ALA . 5.8 m-85 -148.31 111.63 4.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 75.540000000000006 110.9 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.54 107.58 8.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 75.099999999999994 110.87 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -113.58 128.2 56.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 75.120000000000005 110.896 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -132.73 101.59 5.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 71.299999999999997 110.882 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 8' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' C' ' 8' ' ' SER . 55.0 p -148.74 175.41 11.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 65.439999999999998 110.905 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.91 -10.53 42.71 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.807 -0.711 . . . . 72.439999999999998 112.525 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.28 113.88 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.354 . . . . 65.430000000000007 110.923 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -106.48 121.17 43.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 74.310000000000002 110.922 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 38.8 t -132.6 114.41 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 50.399999999999999 111.137 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -114.1 126.54 55.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 75.200000000000003 110.889 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -135.3 121.4 20.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 64.129999999999995 110.895 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 15' ' ' GLN . . . . . 0.421 ' NE2' HD23 ' D' ' 17' ' ' LEU . 0.0 OUTLIER -132.55 133.22 43.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 73.150000000000006 110.918 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.6 118.95 28.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 74.420000000000002 110.912 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.479 HD12 ' HE1' ' D' ' 19' ' ' PHE . 3.6 mm? -120.68 110.56 16.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 74.340000000000003 110.924 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.692 HG12 ' CG2' ' E' ' 18' ' ' VAL . 27.4 m -117.67 122.57 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 71.230000000000004 111.148 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.479 ' HE1' HD12 ' D' ' 17' ' ' LEU . 3.1 m-30 -102.16 112.94 25.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 74.340000000000003 110.903 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.763 ' CE2' HG22 ' D' ' 31' ' ' ILE . 13.7 m-30 52.67 72.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 65.219999999999999 110.866 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.54 130.4 38.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 44.310000000000002 111.079 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.49 87.31 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 73.450000000000003 110.819 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.641 ' CG1' HG23 ' E' ' 24' ' ' VAL . 12.5 p -126.83 135.73 62.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 75.049999999999997 111.151 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.47 -45.03 96.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 70.239999999999995 112.467 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 9.5 m -166.4 133.3 2.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.865 0.364 . . . . 72.540000000000006 110.832 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -102.41 100.5 10.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 72.530000000000001 110.902 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.96 160.53 19.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 74.129999999999995 110.92 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.85 -131.34 36.82 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.736 -0.745 . . . . 74.310000000000002 112.513 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.733 ' O ' HD12 ' C' ' 31' ' ' ILE . . . -101.84 113.54 26.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.72 0.295 . . . . 72.310000000000002 111.121 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.763 HG22 ' CE2' ' D' ' 20' ' ' PHE . 0.2 OUTLIER -122.99 111.44 29.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 74.340000000000003 111.128 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mt -125.44 114.01 37.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 73.010000000000005 111.095 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.33 -55.98 5.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 72.129999999999995 112.475 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.823 ' N ' HD13 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -151.42 151.97 32.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.766 0.317 . . . . 74.409999999999997 110.936 -179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 3.0 mtp -128.52 119.93 25.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 60.140000000000001 110.888 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.448 ' O ' HG13 ' D' ' 36' ' ' VAL . 3.2 p -138.36 111.6 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 74.040000000000006 111.112 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.14 19.78 66.4 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 71.030000000000001 112.499 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.45 -165.18 28.46 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.692 -0.766 . . . . 64.430000000000007 112.431 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.743 HG23 HG13 ' C' ' 39' ' ' VAL . 6.3 p -168.15 141.88 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.868 0.366 . . . . 52.420000000000002 111.115 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.525 HG22 HG12 ' C' ' 40' ' ' VAL . 25.8 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 75.140000000000001 111.123 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.875 0.369 . . . . 74.409999999999997 110.815 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.01 91.54 3.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 61.299999999999997 111.081 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -58.53 -35.36 72.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 54.409999999999997 110.882 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 4' ' ' PHE . . . . . 0.655 ' CE1' ' HB2' ' J' ' 30' ' ' ALA . 5.5 m-85 -148.89 113.37 5.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 73.450000000000003 110.901 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.75 106.49 8.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 63.140000000000001 110.851 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -114.31 128.34 56.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 70.200000000000003 110.905 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -131.34 100.67 5.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 64.140000000000001 110.917 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 8' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' D' ' 8' ' ' SER . 54.8 p -149.54 170.86 17.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 43.219999999999999 110.863 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.94 -9.21 49.59 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.727 -0.749 . . . . 43.420000000000002 112.526 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -171.02 111.97 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 64.129999999999995 110.91 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -109.29 120.5 42.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 65.409999999999997 110.896 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 34.1 t -132.16 116.72 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 73.319999999999993 111.102 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 66.4 m170 -114.54 126.47 54.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 73.120000000000005 110.828 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -133.02 123.13 25.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 75.129999999999995 110.818 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.87 134.22 42.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 64.349999999999994 110.89 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 16' ' ' LYS . . . . . 0.4 ' O ' HD22 ' E' ' 17' ' ' LEU . 0.1 OUTLIER -123.96 117.27 24.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 74.239999999999995 110.911 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.419 HD13 ' CB ' ' D' ' 17' ' ' LEU . 3.8 mm? -120.82 107.38 12.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 51.32 110.89 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.692 ' CG2' HG12 ' D' ' 18' ' ' VAL . 30.9 m -114.23 124.36 70.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 70.549999999999997 111.128 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -102.68 112.92 25.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 73.319999999999993 110.898 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.774 ' CE2' HG22 ' E' ' 31' ' ' ILE . 14.6 m-30 51.89 71.93 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 65.319999999999993 110.87 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.31 131.07 38.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 75.099999999999994 111.099 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.1 87.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 61.329999999999998 110.864 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.641 HG23 ' CG1' ' D' ' 24' ' ' VAL . 14.1 p -127.42 135.15 64.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 63.210000000000001 111.137 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.75 -45.09 96.47 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 63.039999999999999 112.479 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 9.4 m -166.38 132.52 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 73.040000000000006 110.873 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -102.1 100.02 10.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 71.140000000000001 110.883 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.94 161.26 18.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 65.109999999999999 110.88 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.5 -131.53 35.01 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 73.230000000000004 112.48 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.738 ' O ' HD12 ' D' ' 31' ' ' ILE . . . -101.57 113.65 26.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.312 . . . . 70.430000000000007 111.122 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.774 HG22 ' CE2' ' E' ' 20' ' ' PHE . 0.2 OUTLIER -122.05 110.36 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 43.43 111.125 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -121.72 110.79 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 75.420000000000002 111.156 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 33' ' ' GLY . . . . . 0.544 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -44.09 -52.15 7.07 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 72.329999999999998 112.473 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.763 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -152.23 152.85 32.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.813 0.339 . . . . 72.109999999999999 110.93 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.1 mtp -130.33 119.38 22.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 72.439999999999998 110.921 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.452 ' O ' HG13 ' E' ' 36' ' ' VAL . 3.5 p -141.98 112.09 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 65.310000000000002 111.132 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.23 19.49 61.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.784 -0.722 . . . . 54.420000000000002 112.468 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.6 -165.64 29.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.686 -0.768 . . . . 63.32 112.498 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.726 HG23 HG13 ' D' ' 39' ' ' VAL . 6.8 p -167.82 141.85 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 72.439999999999998 111.161 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.503 HG22 HG12 ' D' ' 40' ' ' VAL . 28.0 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 72.319999999999993 111.123 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.833 0.349 . . . . 75.510000000000005 110.875 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.59 91.05 3.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 75.209999999999994 111.082 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.77 -39.84 78.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 43.200000000000003 110.881 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 4' ' ' PHE . . . . . 0.679 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 5.3 m-85 -147.31 113.42 5.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 75.209999999999994 110.905 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.14 108.72 6.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 72.129999999999995 110.877 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -110.13 129.72 55.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 62.420000000000002 110.847 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -134.76 101.82 5.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 71.019999999999996 110.817 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 8' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' G' ' 8' ' ' SER . 54.9 p -148.72 177.08 9.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 75.209999999999994 110.838 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.34 -10.18 45.53 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 63.409999999999997 112.465 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.36 115.46 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.885 0.374 . . . . 71.040000000000006 110.926 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -106.54 120.25 41.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 64.200000000000003 110.91 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 38.8 t -132.56 113.95 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 74.540000000000006 111.117 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 66.9 m170 -114.45 127.04 55.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 73.109999999999999 110.9 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -137.15 119.32 15.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 74.109999999999999 110.839 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 15' ' ' GLN . . . . . 0.435 ' HB3' HG11 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -131.6 133.18 44.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 74.129999999999995 110.894 -179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' F' F ' 16' ' ' LYS . . . . . 0.56 ' HD3' HG13 ' F' ' 18' ' ' VAL . 0.1 OUTLIER -130.24 116.62 18.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 74.120000000000005 110.87 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.462 HD12 ' HE1' ' F' ' 19' ' ' PHE . 3.7 mm? -113.16 112.78 24.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 73.430000000000007 110.903 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.726 HG12 ' CG2' ' G' ' 18' ' ' VAL . 27.5 m -115.95 120.66 65.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 52.009999999999998 111.159 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.462 ' HE1' HD12 ' F' ' 17' ' ' LEU . 9.6 m-30 -102.79 115.21 30.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 71.420000000000002 110.886 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 20' ' ' PHE . . . . . 0.466 ' CE2' HG22 ' F' ' 31' ' ' ILE . 14.4 m-30 50.46 74.08 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 72.230000000000004 110.866 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.01 130.71 40.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 72.430000000000007 111.106 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.66 88.12 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 60.5 110.872 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.585 ' CG1' HG23 ' G' ' 24' ' ' VAL . 9.4 p -125.98 137.0 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 71.549999999999997 111.144 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.65 -45.5 96.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 42.539999999999999 112.5 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 10.1 m -166.34 133.0 2.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.845 0.355 . . . . 53.130000000000003 110.893 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -100.33 99.82 10.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 72.209999999999994 110.893 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.44 160.09 19.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 63.219999999999999 110.917 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.38 -132.58 44.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.701 -0.761 . . . . 55.020000000000003 112.538 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.687 ' HB2' ' CE1' ' A' ' 4' ' ' PHE . . . -100.61 114.18 27.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.308 . . . . 52.340000000000003 111.099 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.854 HD13 HG23 ' G' ' 31' ' ' ILE . 0.2 OUTLIER -120.53 113.23 39.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 72.030000000000001 111.14 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 mt -130.3 110.81 19.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 53.009999999999998 111.118 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.78 -53.1 7.42 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 42.520000000000003 112.482 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.8 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -158.52 154.84 27.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 64.099999999999994 110.891 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -133.39 125.52 29.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 71.409999999999997 110.911 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.498 HG11 HG11 ' A' ' 36' ' ' VAL . 3.3 p -134.52 112.24 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 51.219999999999999 111.149 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.39 17.77 70.83 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.667 -0.778 . . . . 73.25 112.485 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.91 -165.11 26.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 64.230000000000004 112.486 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.754 HG13 HG23 ' G' ' 39' ' ' VAL . 7.7 p -168.96 144.31 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.382 . . . . 63.420000000000002 111.1 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.504 HG12 HG22 ' G' ' 40' ' ' VAL . 28.6 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 65.230000000000004 111.138 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.841 0.353 . . . . 72.510000000000005 110.865 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.33 90.67 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 73.329999999999998 111.084 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.89 -39.89 78.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 64.340000000000003 110.9 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 4' ' ' PHE . . . . . 0.673 ' CZ ' ' HB2' ' B' ' 30' ' ' ALA . 5.7 m-85 -147.87 113.02 5.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 63.119999999999997 110.868 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.47 108.65 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 75.310000000000002 110.838 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -110.78 128.97 55.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 72.530000000000001 110.898 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -134.1 101.62 5.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 74.239999999999995 110.843 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 8' ' ' SER . . . . . 0.431 ' O ' ' HA ' ' H' ' 8' ' ' SER . 55.6 p -148.83 176.32 10.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 64.340000000000003 110.823 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.31 -10.72 44.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 54.310000000000002 112.459 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.4 113.74 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.811 0.339 . . . . 70.230000000000004 110.889 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -103.98 119.98 40.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 73.150000000000006 110.882 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 37.6 t -131.04 113.71 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 61.119999999999997 111.139 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -114.56 127.14 55.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 74.010000000000005 110.911 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -137.5 119.72 15.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 75.120000000000005 110.855 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.99 132.93 45.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 74.5 110.893 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' G' G ' 16' ' ' LYS . . . . . 0.471 ' HD3' HG13 ' G' ' 18' ' ' VAL . 0.1 OUTLIER -127.4 118.03 23.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 72.129999999999995 110.932 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.517 HD12 ' HE1' ' G' ' 19' ' ' PHE . 3.3 mm? -117.24 111.92 20.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 71.439999999999998 110.946 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.726 ' CG2' HG12 ' F' ' 18' ' ' VAL . 30.3 m -117.54 121.17 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 71.319999999999993 111.13 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.517 ' HE1' HD12 ' G' ' 17' ' ' LEU . 5.0 m-30 -101.94 116.51 32.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 65.409999999999997 110.874 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 0.673 ' CE2' HG22 ' G' ' 31' ' ' ILE . 13.8 m-30 51.15 73.28 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 71.129999999999995 110.899 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.68 131.2 37.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 62.25 111.118 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.78 88.56 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 74.530000000000001 110.871 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.597 ' CG1' HG23 ' H' ' 24' ' ' VAL . 12.2 p -127.35 135.67 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 72.120000000000005 111.143 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.18 -44.32 97.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.756 . . . . 73.010000000000005 112.524 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 11.4 m -166.38 133.04 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 51.219999999999999 110.852 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -101.08 100.17 10.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 71.409999999999997 110.864 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.54 160.05 19.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 72.25 110.895 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.47 -132.91 41.73 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 62.310000000000002 112.503 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.7 ' O ' HD12 ' F' ' 31' ' ' ILE . . . -100.6 114.21 27.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 71.219999999999999 111.085 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.854 HG23 HD13 ' F' ' 31' ' ' ILE . 0.1 OUTLIER -121.86 112.07 33.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 75.329999999999998 111.174 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 mt -127.49 112.8 29.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 64.400000000000006 111.111 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 33' ' ' GLY . . . . . 0.401 ' HA3' ' HB3' ' G' ' 19' ' ' PHE . . . -44.17 -54.84 6.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 73.540000000000006 112.492 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.82 ' N ' HD13 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -154.94 153.51 31.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 70.549999999999997 110.89 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -128.24 122.41 31.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 44.350000000000001 110.853 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.438 ' O ' HG13 ' G' ' 36' ' ' VAL . 3.5 p -137.14 112.62 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 63.009999999999998 111.122 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.23 18.35 64.95 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 34.119999999999997 112.459 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.23 -165.46 27.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.741 . . . . 74.430000000000007 112.47 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.769 HG13 HG23 ' H' ' 39' ' ' VAL . 6.9 p -168.77 142.83 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.897 0.38 . . . . 72.150000000000006 111.09 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.504 HG22 HG12 ' F' ' 40' ' ' VAL . 25.5 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 74.0 111.106 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.756 0.313 . . . . 65.219999999999999 110.869 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.89 91.23 3.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 72.439999999999998 111.152 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.9 -38.83 76.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 73.239999999999995 110.921 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 4' ' ' PHE . . . . . 0.673 ' CZ ' ' HB2' ' C' ' 30' ' ' ALA . 5.6 m-85 -147.91 113.12 5.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 62.520000000000003 110.856 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.45 108.19 8.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 62.140000000000001 110.859 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -111.73 128.35 56.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 74.430000000000007 110.871 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -133.35 101.63 5.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 71.430000000000007 110.848 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 8' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' G' ' 8' ' ' SER . 54.7 p -148.68 175.97 10.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 70.239999999999995 110.856 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.67 -10.61 43.26 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.775 -0.726 . . . . 74.219999999999999 112.507 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.36 113.59 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 72.120000000000005 110.948 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -104.29 120.16 40.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 65.239999999999995 110.925 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 37.1 t -131.33 114.06 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 70.510000000000005 111.109 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -114.49 127.03 55.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 72.219999999999999 110.846 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -136.95 120.21 16.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 65.530000000000001 110.839 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.59 132.89 44.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 61.009999999999998 110.939 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.53 118.26 25.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 72.439999999999998 110.903 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.502 HD12 ' HE1' ' H' ' 19' ' ' PHE . 3.6 mm? -118.74 111.33 18.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 71.230000000000004 110.892 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.716 ' CG2' HG12 ' G' ' 18' ' ' VAL . 30.9 m -118.02 121.68 67.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 75.310000000000002 111.17 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.502 ' HE1' HD12 ' H' ' 17' ' ' LEU . 4.0 m-30 -101.83 114.69 28.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 72.120000000000005 110.888 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 20' ' ' PHE . . . . . 0.738 ' CE2' HG22 ' H' ' 31' ' ' ILE . 13.2 m-30 52.43 72.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 73.010000000000005 110.897 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.49 131.06 37.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 74.450000000000003 111.086 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.29 88.09 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 62.329999999999998 110.855 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 24' ' ' VAL . . . . . 0.623 ' CG1' HG23 ' I' ' 24' ' ' VAL . 12.6 p -126.9 135.26 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 62.43 111.156 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.86 -44.47 97.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 75.340000000000003 112.462 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 10.4 m -166.38 132.81 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 53.210000000000001 110.888 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -100.82 99.97 10.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 73.519999999999996 110.93 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.5 160.23 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 61.450000000000003 110.832 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.07 -133.48 39.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 61.100000000000001 112.483 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 30' ' ' ALA . . . . . 0.714 ' O ' HD12 ' G' ' 31' ' ' ILE . . . -100.53 113.78 26.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.765 0.317 . . . . 60.109999999999999 111.081 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.825 HG23 HD13 ' G' ' 31' ' ' ILE . 0.1 OUTLIER -121.96 112.72 36.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 70.129999999999995 111.116 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mt -126.91 113.08 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 75.409999999999997 111.162 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -43.67 -55.75 5.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 50.520000000000003 112.496 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.823 ' N ' HD13 ' H' ' 34' ' ' LEU . 0.0 OUTLIER -153.22 152.37 31.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.806 0.336 . . . . 44.420000000000002 110.916 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -127.39 120.97 29.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 72.239999999999995 110.901 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.442 ' O ' HG13 ' H' ' 36' ' ' VAL . 3.4 p -137.76 112.19 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 54.539999999999999 111.103 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.93 18.83 64.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.792 -0.718 . . . . 43.219999999999999 112.474 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.51 -165.65 28.46 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.727 -0.749 . . . . 72.239999999999995 112.48 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.769 HG23 HG13 ' G' ' 39' ' ' VAL . 6.4 p -168.54 142.33 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.348 . . . . 64.420000000000002 111.142 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' H' H ' 40' ' ' VAL . . . . . 0.475 HG12 HG22 ' I' ' 40' ' ' VAL . 26.3 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 74.510000000000005 111.127 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.838 0.351 . . . . 72.299999999999997 110.892 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.83 91.29 3.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 53.25 111.106 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.68 -38.56 75.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 72.349999999999994 110.866 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 4' ' ' PHE . . . . . 0.678 ' CZ ' ' HB2' ' D' ' 30' ' ' ALA . 5.5 m-85 -148.03 113.02 5.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 74.430000000000007 110.858 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.05 108.01 9.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 65.129999999999995 110.861 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -112.95 127.78 56.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 63.329999999999998 110.848 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -132.49 101.69 5.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 73.030000000000001 110.9 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 8' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' H' ' 8' ' ' SER . 54.8 p -148.91 175.03 11.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.030000000000001 110.833 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.85 -10.3 43.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 53.420000000000002 112.506 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.34 113.78 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 75.129999999999995 110.899 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -105.43 120.88 42.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 62.530000000000001 110.924 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 38.8 t -131.85 114.06 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 70.109999999999999 111.132 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 67.3 m170 -114.24 126.73 55.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 60.530000000000001 110.848 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -136.16 120.97 18.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 75.150000000000006 110.869 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.35 133.07 43.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 72.519999999999996 110.862 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.03 118.46 27.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 75.430000000000007 110.905 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.436 HD12 ' HE1' ' I' ' 19' ' ' PHE . 3.6 mm? -120.35 110.74 16.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 54.109999999999999 110.896 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' I' I ' 18' ' ' VAL . . . . . 0.692 HG12 ' CG2' ' J' ' 18' ' ' VAL . 27.2 m -117.69 122.76 70.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 73.319999999999993 111.133 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' I' I ' 19' ' ' PHE . . . . . 0.436 ' HE1' HD12 ' I' ' 17' ' ' LEU . 3.1 m-30 -102.15 113.05 25.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 72.120000000000005 110.893 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' I' I ' 20' ' ' PHE . . . . . 0.773 ' CE2' HG22 ' I' ' 31' ' ' ILE . 13.7 m-30 52.9 72.11 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 75.319999999999993 110.846 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.82 130.8 38.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 71.200000000000003 111.07 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.32 87.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 55.219999999999999 110.885 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.663 ' CG1' HG23 ' J' ' 24' ' ' VAL . 11.9 p -127.11 135.35 63.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 61.130000000000003 111.083 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.17 -44.8 97.22 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.743 -0.741 . . . . 70.209999999999994 112.466 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 9.5 m -166.52 132.78 2.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 74.420000000000002 110.876 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -100.83 99.84 10.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 75.409999999999997 110.897 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.57 160.36 19.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 65.530000000000001 110.94 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.77 -133.24 37.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 73.129999999999995 112.476 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.731 ' O ' HD12 ' H' ' 31' ' ' ILE . . . -100.57 113.7 26.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 51.200000000000003 111.111 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.773 HG22 ' CE2' ' I' ' 20' ' ' PHE . 0.1 OUTLIER -122.08 112.53 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 72.519999999999996 111.165 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mt -126.2 113.33 33.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 72.219999999999999 111.134 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 33' ' ' GLY . . . . . 0.406 ' C ' HD13 ' I' ' 34' ' ' LEU . . . -44.13 -56.79 5.15 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.727 -0.749 . . . . 42.130000000000003 112.463 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.819 ' N ' HD13 ' I' ' 34' ' ' LEU . 0.0 OUTLIER -151.26 151.56 32.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 74.140000000000001 110.908 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 3.0 mtp -127.87 120.17 27.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 74.420000000000002 110.861 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.443 ' O ' HG13 ' I' ' 36' ' ' VAL . 3.2 p -138.58 111.52 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 64.239999999999995 111.135 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.46 19.33 66.59 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.716 -0.754 . . . . 64.010000000000005 112.451 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.26 -165.36 28.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 75.019999999999996 112.476 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 0.758 HG23 HG13 ' H' ' 39' ' ' VAL . 6.2 p -168.65 142.51 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.37 . . . . 72.340000000000003 111.145 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' I' I ' 40' ' ' VAL . . . . . 0.517 HG12 HG22 ' J' ' 40' ' ' VAL . 27.1 m . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 70.329999999999998 111.159 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.867 0.365 . . . . 74.299999999999997 110.838 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.23 91.2 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 62.229999999999997 111.116 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -57.7 -37.88 74.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 73.129999999999995 110.93 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' J' J ' 4' ' ' PHE . . . . . 0.669 ' CZ ' ' HB2' ' E' ' 30' ' ' ALA . 5.1 m-85 -148.35 114.07 5.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 75.450000000000003 110.874 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.16 107.24 8.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 44.229999999999997 110.837 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -113.69 127.27 55.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 63.420000000000002 110.892 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -130.64 101.33 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 74.099999999999994 110.853 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 55.1 p -150.16 170.22 19.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 62.039999999999999 110.887 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.87 -8.98 50.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 62.039999999999999 112.492 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -170.94 111.56 0.37 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.875 0.369 . . . . 73.150000000000006 110.919 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -107.76 120.37 42.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.51 . . . . 62.43 110.88 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 33.5 t -131.57 116.34 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 72.219999999999999 111.175 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 67.3 m170 -114.52 126.61 55.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 74.430000000000007 110.863 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -133.6 122.32 23.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 72.209999999999994 110.848 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -133.06 133.62 43.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 75.310000000000002 110.9 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.47 116.12 21.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 63.219999999999999 110.874 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.423 HD13 ' CB ' ' I' ' 17' ' ' LEU . 3.8 mm? -120.37 107.87 13.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 62.530000000000001 110.934 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.692 ' CG2' HG12 ' I' ' 18' ' ' VAL . 30.8 m -114.54 124.19 70.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 71.010000000000005 111.125 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' J' ' 19' ' ' PHE . 2.5 m-30 -102.57 112.67 25.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 75.5 110.866 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' J' J ' 20' ' ' PHE . . . . . 0.805 ' CE2' HG22 ' J' ' 31' ' ' ILE . 14.7 m-30 52.26 71.87 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 70.540000000000006 110.901 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.74 131.5 39.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 63.32 111.123 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.78 87.17 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 60.200000000000003 110.901 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.663 HG23 ' CG1' ' I' ' 24' ' ' VAL . 12.9 p -127.83 135.2 63.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 43.420000000000002 111.139 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.11 -45.05 96.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 50.119999999999997 112.483 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 8.6 m -166.88 132.17 2.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.92 0.39 . . . . 73.099999999999994 110.816 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 -100.61 99.81 10.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 64.040000000000006 110.891 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.49 161.24 18.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 75.099999999999994 110.894 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.17 -133.61 36.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 71.439999999999998 112.5 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 0.73 ' O ' HD12 ' I' ' 31' ' ' ILE . . . -100.32 113.72 26.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.744 0.306 . . . . 54.0 111.06 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.805 HG22 ' CE2' ' J' ' 20' ' ' PHE . 0.2 OUTLIER -121.75 112.42 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 74.420000000000002 111.168 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 mt -122.94 111.1 28.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 70.239999999999995 111.13 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' J' J ' 33' ' ' GLY . . . . . 0.549 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -43.83 -53.25 6.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 53.109999999999999 112.495 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.761 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -151.78 152.97 33.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.821 0.343 . . . . 61.509999999999998 110.89 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 3.1 mtp -129.76 119.52 23.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 64.310000000000002 110.906 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.448 ' O ' HG13 ' J' ' 36' ' ' VAL . 3.4 p -142.37 111.67 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 71.209999999999994 111.128 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.77 19.55 63.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 72.219999999999999 112.507 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.88 -165.55 29.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.728 -0.749 . . . . 74.010000000000005 112.467 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.734 HG23 HG13 ' I' ' 39' ' ' VAL . 6.5 p -168.29 141.74 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 64.519999999999996 111.127 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.517 HG22 HG12 ' I' ' 40' ' ' VAL . 27.7 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 60.32 111.151 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.84 0.353 . . . . 71.349999999999994 110.857 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.13 78.44 1.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 62.520000000000003 111.112 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -53.78 -34.14 58.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 61.109999999999999 110.878 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.727 ' CE1' ' HB2' ' F' ' 30' ' ' ALA . 2.1 m-85 -150.82 112.49 4.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 55.130000000000003 110.898 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -137.81 108.03 6.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 73.230000000000004 110.861 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.27 130.01 55.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 63.340000000000003 110.897 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -135.75 100.69 4.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 63.450000000000003 110.861 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' B' ' 8' ' ' SER . 2.8 p -156.03 127.86 7.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 75.430000000000007 110.776 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.07 -26.64 12.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 33.439999999999998 112.481 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -146.03 109.24 4.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.846 0.355 . . . . 73.319999999999993 110.968 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -109.69 119.51 39.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 63.439999999999998 110.897 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' VAL . . . . . 0.568 HG23 HG13 ' B' ' 12' ' ' VAL . 3.7 p -139.33 125.53 23.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 55.219999999999999 111.136 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -125.15 112.86 16.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 63.009999999999998 110.868 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -116.35 126.91 54.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 64.349999999999994 110.829 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -124.75 132.79 53.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 74.120000000000005 110.947 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.481 ' O ' HD22 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -134.45 117.68 16.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 55.530000000000001 110.895 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.613 ' HB2' HD13 ' B' ' 17' ' ' LEU . 3.5 mm? -121.7 114.97 21.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 72.349999999999994 110.897 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.569 ' CG1' ' HB2' ' A' ' 21' ' ' ALA . 90.5 t -109.49 112.6 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 74.439999999999998 111.135 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.578 ' HE1' HD12 ' A' ' 17' ' ' LEU . 13.0 m-30 -102.69 106.16 16.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 73.219999999999999 110.863 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 59.04 91.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 70.140000000000001 110.898 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.569 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . . . -117.48 143.43 46.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 53.409999999999997 111.122 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.7 t0 53.06 71.83 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 70.400000000000006 110.867 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.563 HG22 ' H ' ' A' ' 26' ' ' SER . 8.0 p -112.61 129.3 68.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 54.420000000000002 111.12 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.02 -36.39 42.98 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.8 -0.714 . . . . 62.43 112.498 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' SER . . . . . 0.563 ' H ' HG22 ' A' ' 24' ' ' VAL . 0.4 OUTLIER 179.86 140.14 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.927 0.394 . . . . 73.329999999999998 110.809 -179.758 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -98.59 103.86 15.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 72.140000000000001 110.865 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.6 155.62 25.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 72.510000000000005 110.916 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.83 -136.81 50.45 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.774 -0.727 . . . . 44.530000000000001 112.449 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.747 ' HB2' ' CE2' ' F' ' 4' ' ' PHE . . . -96.84 111.57 23.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.734 0.302 . . . . 72.530000000000001 111.07 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.69 HG13 HG22 ' B' ' 31' ' ' ILE . 0.0 OUTLIER -122.58 117.64 52.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 61.32 111.138 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.411 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 3.4 mt -132.92 118.86 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 73.219999999999999 111.118 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.05 -49.95 7.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 34.200000000000003 112.478 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.811 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -158.6 155.98 29.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 55.32 110.914 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 16.0 mtp -131.68 122.81 26.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 75.430000000000007 110.904 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.573 HG21 HG11 ' F' ' 36' ' ' VAL . 81.1 t -134.26 114.87 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 63.310000000000002 111.11 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.51 16.59 55.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 74.349999999999994 112.497 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.61 -174.39 22.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.688 -0.768 . . . . 72.099999999999994 112.479 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.908 HG13 HG23 ' B' ' 39' ' ' VAL . 13.2 p -155.93 149.39 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 65.310000000000002 111.132 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.725 ' HA ' HG22 ' B' ' 40' ' ' VAL . 18.1 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 63.520000000000003 111.13 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.77 0.319 . . . . 63.539999999999999 110.875 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.3 79.29 1.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 75.319999999999993 111.087 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -53.16 -31.13 41.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 74.120000000000005 110.831 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.677 ' CE2' ' HB2' ' G' ' 30' ' ' ALA . 2.9 m-85 -153.8 112.87 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 72.420000000000002 110.914 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -135.7 108.73 7.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 72.420000000000002 110.906 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.41 131.1 55.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 71.25 110.851 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -136.22 101.69 4.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.319999999999993 110.836 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.411 ' O ' ' HA ' ' C' ' 8' ' ' SER . 2.8 p -156.55 127.2 6.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 63.130000000000003 110.835 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.93 -26.69 11.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 74.219999999999999 112.508 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.35 107.08 3.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 73.409999999999997 110.935 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -108.04 119.59 39.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 64.549999999999997 110.873 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.575 HG23 HG13 ' C' ' 12' ' ' VAL . 3.5 p -137.25 126.12 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 75.310000000000002 111.15 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -123.66 112.92 17.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 65.019999999999996 110.867 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -116.06 126.25 53.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 72.340000000000003 110.812 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -124.26 132.62 53.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 72.200000000000003 110.924 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.507 ' O ' HD22 ' B' ' 17' ' ' LEU . 0.1 OUTLIER -130.67 117.88 20.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 72.439999999999998 110.891 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.658 ' HB2' HD13 ' C' ' 17' ' ' LEU . 3.9 mm? -122.05 111.86 17.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 73.140000000000001 110.88 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.534 ' CG1' ' HB2' ' B' ' 21' ' ' ALA . 93.1 t -108.42 111.42 35.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 75.450000000000003 111.144 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.538 ' HE1' HD12 ' B' ' 17' ' ' LEU . 10.3 m-30 -102.88 104.61 14.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 73.420000000000002 110.903 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 58.81 91.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 75.519999999999996 110.865 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.534 ' HB2' ' CG1' ' B' ' 18' ' ' VAL . . . -117.93 143.89 45.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 74.230000000000004 111.083 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 18.6 t0 52.49 72.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 73.25 110.878 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.589 HG22 ' H ' ' B' ' 26' ' ' SER . 8.1 p -113.54 127.94 70.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 75.040000000000006 111.115 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.13 -34.35 46.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.795 -0.717 . . . . 60.020000000000003 112.472 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.589 ' H ' HG22 ' B' ' 24' ' ' VAL . 0.4 OUTLIER -179.59 140.51 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.91 0.386 . . . . 63.530000000000001 110.835 -179.742 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -99.18 102.01 13.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 71.340000000000003 110.892 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.13 159.57 19.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 73.099999999999994 110.919 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.34 -133.15 51.45 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.745 -0.741 . . . . 63.219999999999999 112.468 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.667 ' HB2' ' CE2' ' G' ' 4' ' ' PHE . . . -99.31 112.21 24.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.782 0.325 . . . . 74.140000000000001 111.087 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.777 HG13 HG22 ' C' ' 31' ' ' ILE . 0.0 OUTLIER -118.77 114.13 43.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 50.109999999999999 111.121 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.411 ' O ' ' HA ' ' A' ' 32' ' ' ILE . 3.4 mt -131.35 118.33 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 61.520000000000003 111.128 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.42 -49.12 20.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 44.100000000000001 112.544 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.803 ' N ' HD13 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -157.93 154.08 27.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.759 0.314 . . . . 75.25 110.979 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 8.8 mtp -128.69 121.49 28.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 75.319999999999993 110.895 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.647 HG21 HG11 ' G' ' 36' ' ' VAL . 90.5 t -136.3 114.0 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 74.439999999999998 111.14 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.78 17.51 42.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 42.409999999999997 112.483 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.71 -174.8 23.05 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.723 -0.751 . . . . 51.240000000000002 112.471 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.921 HG13 HG23 ' C' ' 39' ' ' VAL . 13.3 p -156.13 151.07 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 70.310000000000002 111.147 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.725 HG22 ' HA ' ' A' ' 40' ' ' VAL . 14.5 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 61.409999999999997 111.136 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.803 0.335 . . . . 73.409999999999997 110.833 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.55 79.73 1.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 62.020000000000003 111.132 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 -52.93 -31.12 38.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 74.129999999999995 110.93 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 4' ' ' PHE . . . . . 0.61 ' CE2' ' HB2' ' H' ' 30' ' ' ALA . 3.1 m-85 -152.69 113.1 4.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 72.530000000000001 110.925 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -134.62 108.96 8.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 74.439999999999998 110.846 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.01 130.84 55.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 72.209999999999994 110.866 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -135.64 102.15 5.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 73.349999999999994 110.827 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 8' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' B' ' 8' ' ' SER . 2.8 p -156.23 127.18 6.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 72.299999999999997 110.864 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.8 -27.16 12.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 65.519999999999996 112.499 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.82 107.12 3.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.864 0.364 . . . . 71.549999999999997 110.974 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -107.58 119.93 40.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 72.430000000000007 110.909 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.596 HG23 HG13 ' D' ' 12' ' ' VAL . 3.7 p -136.39 126.71 40.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 74.340000000000003 111.128 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -122.76 113.01 18.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 70.530000000000001 110.873 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -115.48 125.76 53.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 75.140000000000001 110.824 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -125.48 132.52 52.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 74.420000000000002 110.938 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.515 ' O ' HD22 ' C' ' 17' ' ' LEU . 0.1 OUTLIER -129.02 119.06 23.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 45.329999999999998 110.915 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.658 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.2 mm? -123.27 110.05 14.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 72.230000000000004 110.957 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' C' ' 21' ' ' ALA . 93.9 t -107.98 111.18 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 54.399999999999999 111.081 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.543 ' HE1' HD12 ' C' ' 17' ' ' LEU . 8.5 m-30 -102.6 104.4 14.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 74.319999999999993 110.867 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 56.42 91.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 75.5 110.882 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 0.479 ' HB2' ' CG1' ' C' ' 18' ' ' VAL . . . -118.77 144.06 46.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 64.530000000000001 111.051 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 18.6 t0 52.82 72.56 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 64.439999999999998 110.852 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.601 HG22 ' H ' ' C' ' 26' ' ' SER . 8.0 p -113.91 127.75 71.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 51.539999999999999 111.158 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.63 -33.86 42.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 75.340000000000003 112.503 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.601 ' H ' HG22 ' C' ' 24' ' ' VAL . 0.4 OUTLIER -179.34 139.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.352 . . . . 70.230000000000004 110.884 -179.756 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -99.17 100.65 11.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 55.240000000000002 110.848 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.34 159.74 19.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 73.400000000000006 110.883 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.26 -131.49 52.08 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 31.010000000000002 112.49 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.645 ' HB2' ' CE2' ' H' ' 4' ' ' PHE . . . -99.69 112.09 24.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.749 0.309 . . . . 63.310000000000002 111.078 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.815 HG13 HG22 ' D' ' 31' ' ' ILE . 0.0 OUTLIER -116.71 111.93 37.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 73.140000000000001 111.118 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.61 117.84 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 73.25 111.102 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.23 -49.04 31.97 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.676 -0.773 . . . . 71.239999999999995 112.51 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.814 ' N ' HD13 ' C' ' 34' ' ' LEU . 0.0 OUTLIER -156.81 152.93 27.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 72.310000000000002 110.931 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 11.3 mtp -128.37 119.79 25.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 74.200000000000003 110.868 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.664 HG11 HG21 ' H' ' 36' ' ' VAL . 91.0 t -137.3 113.93 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 64.209999999999994 111.12 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.9 18.19 38.97 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 71.219999999999999 112.451 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -105.73 -174.49 23.86 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 44.450000000000003 112.49 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.921 HG23 HG13 ' B' ' 39' ' ' VAL . 12.0 p -156.32 152.1 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 65.450000000000003 111.118 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.69 HG22 ' HA ' ' B' ' 40' ' ' VAL . 14.0 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 62.32 111.178 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.802 0.334 . . . . 75.0 110.853 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.99 79.78 1.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 74.109999999999999 111.121 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 3' ' ' GLU . . . . . 0.4 ' HA ' ' HA2' ' I' ' 29' ' ' GLY . 17.5 mp0 -52.56 -31.72 37.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 60.439999999999998 110.913 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 4' ' ' PHE . . . . . 0.641 ' CE2' ' HB2' ' I' ' 30' ' ' ALA . 3.1 m-85 -152.35 112.88 4.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 74.299999999999997 110.833 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -133.11 108.57 8.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 71.239999999999995 110.913 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.82 129.93 56.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 65.019999999999996 110.889 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -134.21 101.93 5.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 54.32 110.899 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 8' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' C' ' 8' ' ' SER . 2.8 p -156.27 127.24 6.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 54.350000000000001 110.871 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.9 -26.76 19.28 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.71 -0.757 . . . . 74.409999999999997 112.467 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.96 106.86 3.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.812 0.339 . . . . 54.32 110.942 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -108.23 120.65 42.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 74.430000000000007 110.872 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 12' ' ' VAL . . . . . 0.623 HG23 HG13 ' E' ' 12' ' ' VAL . 4.2 p -136.42 127.08 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 74.099999999999994 111.142 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -122.03 113.08 19.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 75.409999999999997 110.853 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -115.23 125.59 53.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 72.150000000000006 110.871 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -127.0 132.76 50.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 73.25 110.897 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 16' ' ' LYS . . . . . 0.557 ' O ' HD22 ' D' ' 17' ' ' LEU . 0.1 OUTLIER -126.74 120.65 29.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 75.129999999999995 110.899 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.612 ' HB2' HD13 ' E' ' 17' ' ' LEU . 4.2 mm? -124.75 108.91 12.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 75.239999999999995 110.903 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.48 ' CG1' ' HB2' ' D' ' 21' ' ' ALA . 92.6 t -108.03 111.5 36.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 71.200000000000003 111.125 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.529 ' HE1' HD12 ' D' ' 17' ' ' LEU . 7.9 m-30 -102.22 102.8 13.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 75.340000000000003 110.867 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 56.87 91.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 74.409999999999997 110.895 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 21' ' ' ALA . . . . . 0.48 ' HB2' ' CG1' ' D' ' 18' ' ' VAL . . . -118.89 144.28 46.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 54.439999999999998 111.064 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 18.8 t0 52.9 72.77 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 71.549999999999997 110.854 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.594 HG22 ' H ' ' D' ' 26' ' ' SER . 8.2 p -115.16 127.6 72.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 52.119999999999997 111.138 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.5 -33.76 48.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 71.409999999999997 112.484 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 26' ' ' SER . . . . . 0.594 ' H ' HG22 ' D' ' 24' ' ' VAL . 0.4 OUTLIER -179.23 139.65 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.893 0.378 . . . . 55.119999999999997 110.879 -179.753 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.457 ' CG ' HG21 ' D' ' 31' ' ' ILE . 17.2 m-20 -99.47 100.64 11.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 73.439999999999998 110.906 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.06 160.28 19.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 74.400000000000006 110.886 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.76 -131.27 51.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.795 -0.717 . . . . 53.340000000000003 112.455 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.647 ' HB2' ' CE2' ' I' ' 4' ' ' PHE . . . -99.03 111.26 23.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.322 . . . . 33.130000000000003 111.117 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.815 HG22 HG13 ' C' ' 31' ' ' ILE . 0.0 OUTLIER -114.04 111.41 35.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 63.299999999999997 111.144 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.5 117.55 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 53.520000000000003 111.128 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 33' ' ' GLY . . . . . 0.471 ' C ' HD13 ' D' ' 34' ' ' LEU . . . -50.66 -49.73 39.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.762 . . . . 74.329999999999998 112.5 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.811 ' N ' HD13 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -154.62 151.86 29.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 74.5 110.96 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 11.9 mtp -129.02 118.65 22.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 73.099999999999994 110.884 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.643 HG11 HG21 ' I' ' 36' ' ' VAL . 84.4 t -138.1 112.73 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 55.43 111.084 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.75 17.69 43.14 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.749 . . . . 41.340000000000003 112.478 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.26 -174.32 26.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.666 -0.778 . . . . 64.530000000000001 112.491 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.864 HG23 HG13 ' C' ' 39' ' ' VAL . 13.2 p -156.54 151.03 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 60.229999999999997 111.167 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.678 HG22 ' HA ' ' C' ' 40' ' ' VAL . 15.1 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 74.150000000000006 111.141 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.832 0.349 . . . . 73.129999999999995 110.844 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.98 79.91 1.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 74.049999999999997 111.055 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 3' ' ' GLU . . . . . 0.421 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . 17.6 mp0 -52.6 -32.17 40.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 72.409999999999997 110.848 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 4' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' J' ' 30' ' ' ALA . 2.9 m-85 -151.65 114.3 4.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 65.25 110.841 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -132.61 107.37 8.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 73.329999999999998 110.896 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.35 127.2 56.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 72.319999999999993 110.869 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -130.37 101.07 5.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 72.010000000000005 110.885 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -156.75 127.62 6.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 74.400000000000006 110.841 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.84 -25.04 43.55 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.75 . . . . 72.540000000000006 112.494 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.34 103.77 3.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 75.109999999999999 110.922 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -109.36 120.98 44.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 61.25 110.862 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 12' ' ' VAL . . . . . 0.623 HG13 HG23 ' D' ' 12' ' ' VAL . 5.5 p -136.28 128.75 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 74.430000000000007 111.137 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -120.68 113.63 20.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 72.040000000000006 110.884 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -114.15 126.91 55.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 73.109999999999999 110.875 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -130.06 133.14 46.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 53.200000000000003 110.922 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 16' ' ' LYS . . . . . 0.613 ' O ' HD22 ' E' ' 17' ' ' LEU . 0.1 OUTLIER -127.71 120.44 27.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 62.219999999999999 110.906 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.613 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.0 mm? -125.71 112.96 16.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 64.230000000000004 110.897 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 87.9 t -107.77 113.05 42.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 74.349999999999994 111.153 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.526 ' HE1' HD12 ' E' ' 17' ' ' LEU . 9.3 m-30 -102.37 98.82 8.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 74.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 53.79 90.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 73.219999999999999 110.831 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.6 144.86 45.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 64.030000000000001 111.11 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 19.0 t0 52.7 72.35 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 72.409999999999997 110.882 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.605 HG22 ' H ' ' E' ' 26' ' ' SER . 7.7 p -113.87 126.67 71.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 74.409999999999997 111.121 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.6 -33.59 34.0 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.691 -0.766 . . . . 74.519999999999996 112.514 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 26' ' ' SER . . . . . 0.605 ' H ' HG22 ' E' ' 24' ' ' VAL . 0.4 OUTLIER -179.56 138.27 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 74.25 110.907 -179.743 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.509 ' CG ' HG21 ' E' ' 31' ' ' ILE . 24.7 m-20 -99.14 99.7 10.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 63.549999999999997 110.925 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.28 160.27 19.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 73.310000000000002 110.873 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.45 -133.38 51.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 55.43 112.517 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.622 ' HB2' ' CZ ' ' J' ' 4' ' ' PHE . . . -95.49 112.35 24.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.743 0.306 . . . . 62.219999999999999 111.075 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.736 HG22 HG13 ' D' ' 31' ' ' ILE . 0.0 OUTLIER -112.8 111.94 38.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 72.120000000000005 111.151 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.39 114.6 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 63.039999999999999 111.155 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 33' ' ' GLY . . . . . 0.563 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -50.89 -47.55 47.46 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.734 -0.746 . . . . 51.140000000000001 112.475 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.769 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -153.99 152.02 30.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.336 . . . . 74.430000000000007 110.94 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.407 ' H ' HD22 ' D' ' 34' ' ' LEU . 10.7 mtp -130.46 117.26 19.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 62.450000000000003 110.848 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.565 HG11 HG21 ' J' ' 36' ' ' VAL . 95.6 t -141.44 111.31 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 74.030000000000001 111.151 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.47 17.96 42.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 75.200000000000003 112.508 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.02 -173.49 25.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 51.340000000000003 112.471 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.832 HG23 HG13 ' D' ' 39' ' ' VAL . 11.8 p -156.28 151.86 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.871 0.367 . . . . 72.409999999999997 111.136 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.617 HG22 ' HA ' ' D' ' 40' ' ' VAL . 17.8 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 71.25 111.125 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.857 0.361 . . . . 71.530000000000001 110.875 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.95 78.32 1.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 74.329999999999998 111.133 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -53.51 -33.77 55.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 63.140000000000001 110.913 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 4' ' ' PHE . . . . . 0.747 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 2.2 m-85 -150.81 112.95 4.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 74.019999999999996 110.884 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -138.21 108.31 6.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 75.010000000000005 110.896 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.92 130.13 55.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 75.400000000000006 110.885 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -135.63 101.14 4.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 73.549999999999997 110.879 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 8' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' G' ' 8' ' ' SER . 2.8 p -155.92 127.5 7.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 43.039999999999999 110.876 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.17 -26.61 13.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 71.329999999999998 112.476 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -145.24 109.19 4.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.805 0.336 . . . . 73.150000000000006 110.937 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -109.35 119.5 39.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 75.510000000000005 110.844 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 0.59 HG23 HG13 ' G' ' 12' ' ' VAL . 4.2 p -138.96 126.15 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 44.020000000000003 111.113 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -124.82 113.13 17.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 65.340000000000003 110.904 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -116.98 125.84 52.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 75.349999999999994 110.843 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -124.8 132.79 53.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 71.049999999999997 110.882 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 16' ' ' LYS . . . . . 0.511 ' O ' HD22 ' F' ' 17' ' ' LEU . 0.1 OUTLIER -135.15 118.18 16.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 74.030000000000001 110.946 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.594 ' HB2' HD13 ' G' ' 17' ' ' LEU . 3.7 mm? -122.53 114.19 20.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 71.109999999999999 110.937 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.571 ' CG1' ' HB2' ' F' ' 21' ' ' ALA . 88.2 t -108.95 113.15 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 42.310000000000002 111.12 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.536 ' HE1' HD12 ' F' ' 17' ' ' LEU . 12.9 m-30 -103.16 106.22 16.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 74.430000000000007 110.892 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 58.78 91.58 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 74.209999999999994 110.828 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 21' ' ' ALA . . . . . 0.571 ' HB2' ' CG1' ' F' ' 18' ' ' VAL . . . -117.44 144.0 45.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 42.340000000000003 111.11 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 18.7 t0 52.75 72.04 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 63.25 110.931 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.561 HG22 ' H ' ' F' ' 26' ' ' SER . 8.1 p -112.53 129.27 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 70.219999999999999 111.105 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.03 -35.78 49.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 63.130000000000003 112.493 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 26' ' ' SER . . . . . 0.561 ' H ' HG22 ' F' ' 24' ' ' VAL . 0.4 OUTLIER -179.84 138.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.363 . . . . 61.009999999999998 110.846 -179.74 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -97.9 102.26 13.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 71.319999999999993 110.867 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.02 156.84 22.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 64.239999999999995 110.871 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.51 -138.24 48.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 52.130000000000003 112.457 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.727 ' HB2' ' CE1' ' A' ' 4' ' ' PHE . . . -95.21 111.5 23.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.736 0.303 . . . . 62.210000000000001 111.116 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.703 HG13 HG22 ' G' ' 31' ' ' ILE . 0.0 OUTLIER -122.38 117.34 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 71.150000000000006 111.097 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -132.94 117.72 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 73.010000000000005 111.122 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 33' ' ' GLY . . . . . 0.406 ' HA3' ' HB3' ' F' ' 19' ' ' PHE . . . -42.92 -49.93 6.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 72.540000000000006 112.473 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.789 ' N ' HD13 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -159.58 156.11 27.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 75.409999999999997 110.911 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 13.6 mtp -131.17 122.46 26.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 64.099999999999994 110.852 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.573 HG11 HG21 ' A' ' 36' ' ' VAL . 70.8 t -134.17 114.46 19.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 75.239999999999995 111.165 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.03 16.64 53.33 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.746 . . . . 72.219999999999999 112.477 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.89 -174.4 22.86 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 52.219999999999999 112.493 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.888 HG13 HG23 ' G' ' 39' ' ' VAL . 12.4 p -155.26 150.23 11.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.933 0.397 . . . . 61.409999999999997 111.119 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.705 ' HA ' HG22 ' G' ' 40' ' ' VAL . 21.0 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 63.020000000000003 111.162 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.798 0.332 . . . . 71.120000000000005 110.85 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.75 78.18 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 60.210000000000001 111.128 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -53.8 -34.19 58.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 75.400000000000006 110.889 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 4' ' ' PHE . . . . . 0.667 ' CE2' ' HB2' ' B' ' 30' ' ' ALA . 3.1 m-85 -154.38 113.48 3.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 75.239999999999995 110.877 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -135.73 108.92 7.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 74.030000000000001 110.841 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.88 130.5 55.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 75.209999999999994 110.851 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -135.57 101.66 4.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 74.420000000000002 110.867 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 8' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' H' ' 8' ' ' SER . 2.8 p -156.68 126.89 6.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 74.010000000000005 110.88 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.11 -26.87 13.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 33.009999999999998 112.482 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -146.93 106.96 3.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.828 0.347 . . . . 73.150000000000006 110.944 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -107.63 119.75 40.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 64.019999999999996 110.843 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 12' ' ' VAL . . . . . 0.59 HG13 HG23 ' F' ' 12' ' ' VAL . 4.1 p -137.16 126.44 36.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 73.299999999999997 111.112 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -123.99 113.09 17.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 75.329999999999998 110.857 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -116.33 125.74 52.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 64.430000000000007 110.858 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -123.76 132.93 53.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 75.219999999999999 110.895 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 16' ' ' LYS . . . . . 0.504 ' O ' HD22 ' G' ' 17' ' ' LEU . 0.1 OUTLIER -131.23 117.72 19.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 73.319999999999993 110.904 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.678 ' HB2' HD13 ' H' ' 17' ' ' LEU . 3.9 mm? -122.18 111.56 17.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 73.420000000000002 110.897 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.547 ' CG1' ' HB2' ' G' ' 21' ' ' ALA . 92.2 t -108.46 111.1 34.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 74.150000000000006 111.166 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.532 ' HE1' HD12 ' G' ' 17' ' ' LEU . 10.3 m-30 -102.52 104.31 14.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 71.420000000000002 110.915 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 58.83 91.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 62.0 110.823 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 21' ' ' ALA . . . . . 0.547 ' HB2' ' CG1' ' G' ' 18' ' ' VAL . . . -117.41 144.37 45.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 74.519999999999996 111.1 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 18.6 t0 52.38 72.78 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.540000000000006 110.909 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.583 HG22 ' H ' ' G' ' 26' ' ' SER . 8.0 p -113.06 127.65 70.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 54.329999999999998 111.161 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.79 -34.22 50.61 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.688 -0.768 . . . . 64.510000000000005 112.452 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 26' ' ' SER . . . . . 0.583 ' H ' HG22 ' G' ' 24' ' ' VAL . 0.4 OUTLIER -178.56 139.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 71.299999999999997 110.882 -179.74 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -99.51 100.28 11.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 73.219999999999999 110.867 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.78 160.45 18.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 73.340000000000003 110.864 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.67 -134.05 51.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 61.340000000000003 112.508 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.677 ' HB2' ' CE2' ' B' ' 4' ' ' PHE . . . -98.46 112.21 24.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.766 0.317 . . . . 72.310000000000002 111.133 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.781 HG13 HG22 ' H' ' 31' ' ' ILE . 0.0 OUTLIER -118.87 113.76 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 74.310000000000002 111.137 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.91 118.03 40.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 73.109999999999999 111.155 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.48 -49.08 21.36 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 74.439999999999998 112.532 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.809 ' N ' HD13 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -158.24 153.99 26.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 73.319999999999993 110.89 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 8.7 mtp -128.31 120.98 28.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 74.400000000000006 110.867 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.647 HG11 HG21 ' B' ' 36' ' ' VAL . 96.4 t -136.18 113.6 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 73.140000000000001 111.137 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.89 18.01 45.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 75.519999999999996 112.484 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.26 -174.67 23.42 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 44.149999999999999 112.533 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.916 HG13 HG23 ' H' ' 39' ' ' VAL . 14.5 p -156.93 151.23 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 61.229999999999997 111.152 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.705 HG22 ' HA ' ' F' ' 40' ' ' VAL . 16.4 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 72.299999999999997 111.099 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.801 0.334 . . . . 43.25 110.902 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.35 79.04 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 73.319999999999993 111.064 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -52.46 -33.73 45.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 63.149999999999999 110.912 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 4' ' ' PHE . . . . . 0.645 ' CE2' ' HB2' ' C' ' 30' ' ' ALA . 3.2 m-85 -153.4 113.92 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 73.319999999999993 110.908 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -134.8 108.92 8.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 64.209999999999994 110.853 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.83 130.17 55.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 55.520000000000003 110.93 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -134.96 101.87 5.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 75.439999999999998 110.84 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 8' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' G' ' 8' ' ' SER . 2.8 p -156.42 127.19 6.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 72.409999999999997 110.845 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.2 -26.99 13.96 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 64.030000000000001 112.481 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.8 106.62 3.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.882 0.372 . . . . 63.43 110.888 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -106.99 119.85 40.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 65.310000000000002 110.868 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 0.588 HG23 HG13 ' I' ' 12' ' ' VAL . 4.1 p -136.84 126.59 38.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 72.430000000000007 111.172 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -123.79 113.22 18.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 72.010000000000005 110.895 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -115.81 125.36 52.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 72.129999999999995 110.809 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -124.31 132.68 53.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 63.350000000000001 110.851 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 16' ' ' LYS . . . . . 0.513 ' O ' HD22 ' H' ' 17' ' ' LEU . 0.1 OUTLIER -128.8 118.86 23.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 70.25 110.904 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.678 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.2 mm? -123.13 109.92 14.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 74.019999999999996 110.897 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.496 ' CG1' ' HB2' ' H' ' 21' ' ' ALA . 92.0 t -107.9 110.94 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 71.120000000000005 111.152 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.527 ' HE1' HD12 ' H' ' 17' ' ' LEU . 8.7 m-30 -102.3 104.01 14.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 71.25 110.882 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 57.23 91.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 60.049999999999997 110.828 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 21' ' ' ALA . . . . . 0.496 ' HB2' ' CG1' ' H' ' 18' ' ' VAL . . . -118.36 144.15 46.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 54.409999999999997 111.091 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 18.7 t0 52.64 72.78 0.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 74.430000000000007 110.853 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 24' ' ' VAL . . . . . 0.595 HG22 ' H ' ' H' ' 26' ' ' SER . 7.7 p -113.43 127.45 70.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 75.510000000000005 111.117 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.76 -33.74 49.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 63.229999999999997 112.457 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 26' ' ' SER . . . . . 0.595 ' H ' HG22 ' H' ' 24' ' ' VAL . 0.4 OUTLIER -178.35 138.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 62.439999999999998 110.9 -179.731 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -99.67 99.6 10.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 74.129999999999995 110.86 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.93 160.96 18.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 74.239999999999995 110.91 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.8 -132.79 52.73 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 74.219999999999999 112.52 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 30' ' ' ALA . . . . . 0.61 ' HB2' ' CE2' ' C' ' 4' ' ' PHE . . . -98.88 111.73 24.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.743 0.306 . . . . 73.230000000000004 111.093 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.818 HG13 HG22 ' I' ' 31' ' ' ILE . 0.0 OUTLIER -116.02 111.97 37.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 72.349999999999994 111.124 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.46 117.27 38.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 75.5 111.128 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 33' ' ' GLY . . . . . 0.41 ' C ' HD13 ' H' ' 34' ' ' LEU . . . -48.99 -49.27 29.88 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 65.540000000000006 112.449 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.815 ' N ' HD13 ' H' ' 34' ' ' LEU . 0.0 OUTLIER -156.62 152.76 27.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.777 0.322 . . . . 65.420000000000002 110.936 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 10.5 mtp -128.03 119.3 25.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 62.539999999999999 110.88 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.664 HG21 HG11 ' C' ' 36' ' ' VAL . 93.6 t -137.18 113.69 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 55.009999999999998 111.149 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.45 17.69 40.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 53.549999999999997 112.517 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.81 -174.71 24.69 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 61.140000000000001 112.45 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.916 HG23 HG13 ' G' ' 39' ' ' VAL . 12.4 p -157.08 152.3 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 53.149999999999999 111.114 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' H' H ' 40' ' ' VAL . . . . . 0.697 HG22 ' HA ' ' G' ' 40' ' ' VAL . 14.4 m . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 74.120000000000005 111.15 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.881 0.372 . . . . 74.510000000000005 110.903 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.02 79.08 1.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 71.450000000000003 111.101 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -52.97 -33.21 50.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 73.239999999999995 110.887 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 4' ' ' PHE . . . . . 0.647 ' CE2' ' HB2' ' D' ' 30' ' ' ALA . 3.1 m-85 -151.88 113.92 4.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 75.239999999999995 110.854 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -133.75 108.52 8.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 73.030000000000001 110.836 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.69 130.31 55.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 65.409999999999997 110.865 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -134.53 101.74 5.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 71.120000000000005 110.847 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 8' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' H' ' 8' ' ' SER . 2.8 p -156.5 126.98 6.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 74.310000000000002 110.883 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.6 -26.93 17.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 63.020000000000003 112.5 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.73 106.76 3.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.814 0.34 . . . . 74.040000000000006 110.979 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -107.71 120.09 41.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 75.129999999999995 110.876 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 12' ' ' VAL . . . . . 0.608 HG23 HG13 ' J' ' 12' ' ' VAL . 4.1 p -136.69 126.42 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 72.010000000000005 111.139 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -122.95 113.38 19.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 62.539999999999999 110.847 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -115.25 125.76 53.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 74.140000000000001 110.849 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -125.84 132.76 52.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 62.200000000000003 110.896 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 16' ' ' LYS . . . . . 0.573 ' O ' HD22 ' I' ' 17' ' ' LEU . 0.1 OUTLIER -126.99 120.37 28.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 73.120000000000005 110.911 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.628 HD13 ' HB2' ' H' ' 17' ' ' LEU . 4.2 mm? -124.9 109.44 13.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 63.149999999999999 110.892 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 18' ' ' VAL . . . . . 0.492 ' CG1' ' HB2' ' I' ' 21' ' ' ALA . 91.2 t -107.95 111.82 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 72.439999999999998 111.13 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 19' ' ' PHE . . . . . 0.513 ' HE1' HD12 ' I' ' 17' ' ' LEU . 8.1 m-30 -102.17 102.9 13.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 74.310000000000002 110.855 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 56.45 91.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 74.5 110.857 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 21' ' ' ALA . . . . . 0.492 ' HB2' ' CG1' ' I' ' 18' ' ' VAL . . . -118.42 144.35 46.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 70.430000000000007 111.077 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 18.7 t0 53.0 72.9 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 72.319999999999993 110.868 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.595 HG22 ' H ' ' I' ' 26' ' ' SER . 7.6 p -114.5 126.97 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 64.049999999999997 111.158 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.88 -33.53 50.08 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 35.439999999999998 112.497 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 26' ' ' SER . . . . . 0.595 ' H ' HG22 ' I' ' 24' ' ' VAL . 0.4 OUTLIER -178.43 138.16 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 55.340000000000003 110.864 -179.73 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' I' I ' 27' ' ' ASN . . . . . 0.427 ' CG ' HG21 ' I' ' 31' ' ' ILE . 16.5 m-20 -99.46 99.75 10.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 74.400000000000006 110.906 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.8 160.9 18.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 71.340000000000003 110.886 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 29' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' D' ' 3' ' ' GLU . . . 58.94 -132.33 52.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 73.129999999999995 112.499 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.641 ' HB2' ' CE2' ' D' ' 4' ' ' PHE . . . -98.61 110.98 23.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.739 0.304 . . . . 71.340000000000003 111.132 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.818 HG22 HG13 ' H' ' 31' ' ' ILE . 0.0 OUTLIER -113.44 111.58 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 74.340000000000003 111.102 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -130.27 116.74 37.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 74.420000000000002 111.162 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 33' ' ' GLY . . . . . 0.478 ' C ' HD13 ' I' ' 34' ' ' LEU . . . -50.03 -49.98 34.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 61.299999999999997 112.501 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.785 ' N ' HD13 ' I' ' 34' ' ' LEU . 0.0 OUTLIER -154.73 151.84 29.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.843 0.354 . . . . 74.209999999999994 110.918 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 12.0 mtp -128.71 118.36 22.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.030000000000001 110.901 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.643 HG21 HG11 ' D' ' 36' ' ' VAL . 83.9 t -137.81 112.91 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 73.439999999999998 111.167 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.46 17.73 41.21 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 61.439999999999998 112.513 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.83 -174.29 26.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.794 -0.717 . . . . 22.219999999999999 112.486 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 0.875 HG23 HG13 ' H' ' 39' ' ' VAL . 12.7 p -157.2 151.97 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 74.019999999999996 111.152 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' I' I ' 40' ' ' VAL . . . . . 0.673 HG22 ' HA ' ' H' ' 40' ' ' VAL . 14.9 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 70.219999999999999 111.139 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.826 0.346 . . . . 64.209999999999994 110.905 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.55 79.0 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 61.119999999999997 111.123 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -52.6 -33.35 45.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 71.439999999999998 110.916 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' J' J ' 4' ' ' PHE . . . . . 0.622 ' CZ ' ' HB2' ' E' ' 30' ' ' ALA . 2.8 m-85 -151.3 114.69 4.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 53.240000000000002 110.888 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -133.44 107.99 8.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 75.430000000000007 110.824 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.21 127.25 56.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 72.239999999999995 110.896 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -130.31 101.33 5.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 73.530000000000001 110.921 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -156.93 127.6 6.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 72.230000000000004 110.878 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.33 -25.96 42.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 64.409999999999997 112.476 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.35 104.37 3.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 64.129999999999995 110.916 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -108.93 121.23 44.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 74.209999999999994 110.905 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' J' J ' 12' ' ' VAL . . . . . 0.608 HG13 HG23 ' I' ' 12' ' ' VAL . 5.0 p -137.02 127.12 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 63.310000000000002 111.133 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -121.16 113.57 20.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 52.119999999999997 110.838 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -114.24 127.12 55.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 73.430000000000007 110.911 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -128.3 133.09 48.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 71.430000000000007 110.942 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' J' J ' 16' ' ' LYS . . . . . 0.615 ' O ' HD22 ' J' ' 17' ' ' LEU . 0.1 OUTLIER -127.11 120.27 28.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 75.530000000000001 110.889 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.615 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.1 mm? -125.78 112.26 15.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 71.129999999999995 110.879 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 91.9 t -107.55 113.17 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 65.340000000000003 111.11 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.533 ' HE1' HD12 ' J' ' 17' ' ' LEU . 9.1 m-30 -102.28 99.29 9.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 75.510000000000005 110.834 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 54.13 90.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 73.099999999999994 110.884 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.36 145.27 45.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 71.310000000000002 111.068 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 18.9 t0 52.25 72.49 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 73.540000000000006 110.901 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.596 HG22 ' H ' ' J' ' 26' ' ' SER . 7.8 p -114.13 126.26 71.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 45.109999999999999 111.145 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.39 -33.66 32.55 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 74.140000000000001 112.447 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' J' J ' 26' ' ' SER . . . . . 0.596 ' H ' HG22 ' J' ' 24' ' ' VAL . 0.4 OUTLIER -179.47 137.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.949 0.404 . . . . 64.219999999999999 110.812 -179.752 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' J' J ' 27' ' ' ASN . . . . . 0.481 ' CG ' HG21 ' J' ' 31' ' ' ILE . 26.6 m-20 -98.95 99.09 10.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 71.200000000000003 110.83 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.08 160.39 18.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 73.120000000000005 110.895 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' J' J ' 29' ' ' GLY . . . . . 0.421 ' HA2' ' HA ' ' E' ' 3' ' ' GLU . . . 60.14 -134.84 50.51 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 41.240000000000002 112.438 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 0.589 ' HB2' ' CZ ' ' E' ' 4' ' ' PHE . . . -94.46 111.65 23.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 71.329999999999998 111.082 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.758 HG22 HG13 ' I' ' 31' ' ' ILE . 0.0 OUTLIER -112.36 112.76 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 71.230000000000004 111.098 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.52 114.25 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 73.5 111.145 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' J' J ' 33' ' ' GLY . . . . . 0.566 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -50.64 -47.66 45.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.758 -0.734 . . . . 71.200000000000003 112.494 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.775 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -154.35 152.05 29.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.847 0.356 . . . . 74.519999999999996 110.892 -179.905 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 10.4 mtp -130.27 117.05 19.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 75.450000000000003 110.907 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.565 HG21 HG11 ' E' ' 36' ' ' VAL . 91.7 t -141.28 111.7 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 72.540000000000006 111.139 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.29 18.18 41.68 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.762 -0.733 . . . . 64.230000000000004 112.514 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.44 -173.77 26.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.69 -0.766 . . . . 62.409999999999997 112.503 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.822 HG23 HG13 ' I' ' 39' ' ' VAL . 12.3 p -156.6 151.82 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 61.219999999999999 111.188 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.645 HG22 ' HA ' ' I' ' 40' ' ' VAL . 17.5 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 72.230000000000004 111.084 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.788 0.328 . . . . 73.129999999999995 110.893 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.78 89.06 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 72.329999999999998 111.081 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -52.01 -31.21 28.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 44.240000000000002 110.834 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.736 ' CE2' ' HB2' ' F' ' 30' ' ' ALA . 1.6 m-85 -157.64 113.87 2.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 71.109999999999999 110.86 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -133.54 108.72 8.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 72.430000000000007 110.834 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -110.64 125.65 53.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 62.219999999999999 110.844 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -132.12 101.69 5.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 71.319999999999993 110.833 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' B' ' 8' ' ' SER . 21.9 m -148.15 176.56 10.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 70.230000000000004 110.85 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.77 -8.97 38.75 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.821 -0.704 . . . . 61.030000000000001 112.497 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -172.36 110.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 73.400000000000006 110.903 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -101.29 122.43 43.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 72.319999999999993 110.874 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.7 t -138.79 113.8 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 52.240000000000002 111.159 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.4 m170 -108.72 133.85 52.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 72.349999999999994 110.836 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -137.79 112.61 8.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 62.200000000000003 110.878 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.95 133.95 49.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 63.130000000000003 110.901 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -127.97 117.41 21.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 73.150000000000006 110.888 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.498 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.0 mm? -118.21 111.08 18.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 75.140000000000001 110.944 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.732 HG12 ' CG2' ' B' ' 18' ' ' VAL . 35.8 m -115.89 120.48 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 72.340000000000003 111.152 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.41 ' HD2' HD12 ' B' ' 34' ' ' LEU . 11.0 m-85 -111.72 100.97 9.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 51.210000000000001 110.918 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 62.3 65.95 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 72.409999999999997 110.924 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.08 133.1 42.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 73.519999999999996 111.106 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 61.21 77.91 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 75.109999999999999 110.894 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.418 HG11 ' ND2' ' A' ' 27' ' ' ASN . 40.8 t -112.25 147.87 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 75.230000000000004 111.157 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.93 -47.31 9.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.789 -0.72 . . . . 71.319999999999993 112.477 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -161.43 121.55 2.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.882 0.373 . . . . 64.329999999999998 110.866 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.418 ' ND2' HG11 ' A' ' 24' ' ' VAL . 18.7 m120 -96.94 100.15 11.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 75.140000000000001 110.853 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.46 139.76 49.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 72.530000000000001 110.897 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.78 -140.75 22.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 61.310000000000002 112.491 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.724 ' HB2' ' CE2' ' F' ' 4' ' ' PHE . . . -102.2 113.85 27.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.341 . . . . 71.450000000000003 111.053 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.535 HD13 ' C ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -128.23 122.66 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 54.439999999999998 111.131 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -136.05 115.03 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 51.140000000000001 111.129 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.76 -45.67 8.94 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 64.209999999999994 112.525 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.816 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -168.54 146.61 4.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 73.439999999999998 110.906 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.3 ttp -129.78 127.2 39.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 74.120000000000005 110.904 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.797 HG11 HG21 ' F' ' 36' ' ' VAL . 62.6 t -132.42 114.02 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 63.340000000000003 111.154 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.59 6.07 83.98 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.731 . . . . 52.509999999999998 112.483 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.35 -170.17 43.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 64.340000000000003 112.499 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.919 HG13 HG23 ' B' ' 39' ' ' VAL . 7.1 p -168.71 146.16 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.356 . . . . 74.340000000000003 111.175 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.43 HG12 HG22 ' B' ' 40' ' ' VAL . 34.0 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 75.530000000000001 111.082 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.78 0.324 . . . . 73.519999999999996 110.875 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.82 88.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 52.350000000000001 111.111 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -52.91 -30.27 33.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 73.230000000000004 110.886 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.701 ' CE2' ' HB2' ' G' ' 30' ' ' ALA . 2.0 m-85 -158.31 113.64 2.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 71.129999999999995 110.887 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.6 tpt85 -130.86 108.74 10.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 75.540000000000006 110.842 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -109.89 125.64 53.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 73.129999999999995 110.879 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -132.48 101.21 5.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 75.310000000000002 110.915 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' C' ' 8' ' ' SER . 21.9 m -147.68 176.06 10.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 71.099999999999994 110.842 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.72 -8.89 39.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 63.109999999999999 112.468 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -172.36 109.81 0.23 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.827 0.346 . . . . 73.510000000000005 110.976 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -99.95 121.58 41.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 74.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.3 t -137.68 113.99 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 73.140000000000001 111.168 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -108.94 133.54 52.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 63.409999999999997 110.862 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -136.38 113.33 10.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 62.420000000000002 110.892 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.7 133.31 49.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 74.329999999999998 110.946 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.449 ' O ' HD22 ' B' ' 17' ' ' LEU . 7.3 tptm -126.51 117.81 23.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 62.020000000000003 110.908 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.5 ' HB2' HD13 ' C' ' 17' ' ' LEU . 3.6 mm? -120.7 111.44 17.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 74.430000000000007 110.936 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.732 ' CG2' HG12 ' A' ' 18' ' ' VAL . 27.5 m -117.73 119.8 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 65.230000000000004 111.081 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.443 ' CE1' HD12 ' B' ' 17' ' ' LEU . 5.7 m-85 -110.35 101.09 9.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 60.299999999999997 110.873 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 61.71 66.41 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 62.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.63 133.21 41.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 73.030000000000001 111.12 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 60.09 78.51 0.27 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 55.520000000000003 110.871 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 42.5 t -112.43 148.22 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 73.019999999999996 111.109 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.17 -46.78 8.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 74.049999999999997 112.477 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -160.73 121.99 2.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.858 0.361 . . . . 73.519999999999996 110.872 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -97.0 99.86 11.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 73.25 110.881 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.13 143.38 45.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 73.219999999999999 110.896 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.59 -138.82 21.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 53.020000000000003 112.479 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.689 ' HB2' ' CE2' ' G' ' 4' ' ' PHE . . . -102.97 113.28 26.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.825 0.345 . . . . 54.240000000000002 111.075 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.512 HD13 ' C ' ' B' ' 30' ' ' ALA . 0.0 OUTLIER -125.68 120.18 56.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 60.43 111.123 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -134.07 112.31 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 62.030000000000001 111.151 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.75 -44.66 8.64 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 21.23 112.473 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.87 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -165.37 149.08 8.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.79 0.329 . . . . 74.129999999999995 110.949 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.5 ttp -130.77 126.09 35.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 72.340000000000003 110.861 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.859 HG11 HG21 ' G' ' 36' ' ' VAL . 72.5 t -136.12 113.94 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 74.349999999999994 111.174 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.91 7.45 66.19 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 74.239999999999995 112.499 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.01 -170.93 45.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 53.329999999999998 112.495 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.934 HG13 HG23 ' C' ' 39' ' ' VAL . 7.2 p -168.82 145.85 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 62.509999999999998 111.125 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.482 HG12 HG22 ' C' ' 40' ' ' VAL . 33.9 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 74.420000000000002 111.095 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.787 0.327 . . . . 75.120000000000005 110.854 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.73 89.13 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 73.409999999999997 111.085 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 3' ' ' GLU . . . . . 0.411 ' HA ' ' HA2' ' H' ' 29' ' ' GLY . 4.9 mp0 -52.61 -31.14 35.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 72.230000000000004 110.881 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 4' ' ' PHE . . . . . 0.659 ' CE2' ' HB2' ' H' ' 30' ' ' ALA . 2.3 m-85 -157.84 113.82 2.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 75.430000000000007 110.892 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -129.75 108.98 10.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 74.120000000000005 110.87 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 35.9 t60 -110.42 124.52 51.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 75.319999999999993 110.873 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -131.36 101.48 5.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 71.329999999999998 110.865 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 8' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' B' ' 8' ' ' SER . 22.0 m -147.93 175.71 10.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 75.5 110.863 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.01 -8.62 38.82 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.773 -0.727 . . . . 64.400000000000006 112.477 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -172.18 110.22 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.341 . . . . 72.409999999999997 110.934 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -100.08 121.9 42.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 73.400000000000006 110.917 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -138.1 114.13 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 70.549999999999997 111.144 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 56.9 m170 -109.17 132.98 53.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 75.409999999999997 110.879 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -135.38 113.78 11.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 74.510000000000005 110.83 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.08 133.33 49.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 64.450000000000003 110.902 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.496 ' O ' HD22 ' C' ' 17' ' ' LEU . 7.4 tptm -125.69 117.7 24.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 72.409999999999997 110.892 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.5 HD13 ' HB2' ' B' ' 17' ' ' LEU . 3.9 mm? -122.26 111.15 16.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 75.420000000000002 110.917 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.702 ' CG2' HG12 ' B' ' 18' ' ' VAL . 27.5 m -118.31 119.99 63.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 74.209999999999994 111.163 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.466 ' HE1' HD12 ' C' ' 17' ' ' LEU . 4.0 m-85 -109.2 100.58 9.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 75.209999999999994 110.885 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 61.11 66.89 0.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 74.129999999999995 110.901 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.69 132.62 42.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 71.430000000000007 111.089 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 60.51 78.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 71.420000000000002 110.874 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 41.6 t -112.36 148.54 15.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 52.140000000000001 111.097 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.08 -46.47 8.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.68 -0.771 . . . . 74.450000000000003 112.497 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -160.47 121.74 3.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.874 0.369 . . . . 54.140000000000001 110.825 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -96.76 100.06 11.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 63.240000000000002 110.868 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.49 144.32 45.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 73.129999999999995 110.909 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.33 -138.01 20.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 70.420000000000002 112.535 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.657 ' HB2' ' CE2' ' H' ' 4' ' ' PHE . . . -102.63 113.24 26.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 63.219999999999999 111.114 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.511 HD13 ' C ' ' C' ' 30' ' ' ALA . 0.0 OUTLIER -124.81 119.25 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 73.200000000000003 111.101 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -133.37 113.34 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 73.099999999999994 111.125 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.407 ' HA3' ' HB3' ' C' ' 19' ' ' PHE . . . -47.4 -45.62 22.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 70.420000000000002 112.489 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.888 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -162.46 147.81 12.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.784 0.325 . . . . 71.430000000000007 110.926 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.9 ttp -129.3 124.17 33.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 63.409999999999997 110.841 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.859 HG21 HG11 ' H' ' 36' ' ' VAL . 80.6 t -136.81 113.33 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 61.43 111.105 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.68 8.03 62.62 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.766 -0.731 . . . . 65.409999999999997 112.521 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.97 -171.68 45.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 52.32 112.5 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.934 HG23 HG13 ' B' ' 39' ' ' VAL . 7.2 p -168.39 145.92 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 61.439999999999998 111.158 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.482 HG22 HG12 ' B' ' 40' ' ' VAL . 33.8 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.530000000000001 111.134 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.775 0.321 . . . . 72.340000000000003 110.838 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.2 89.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 71.409999999999997 111.115 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 3' ' ' GLU . . . . . 0.411 ' HA ' ' HA2' ' I' ' 29' ' ' GLY . 4.8 mp0 -52.62 -30.87 33.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 53.43 110.838 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 4' ' ' PHE . . . . . 0.687 ' CE2' ' HB2' ' I' ' 30' ' ' ALA . 2.0 m-85 -157.87 114.01 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 75.010000000000005 110.9 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 4.6 tpt85 -128.68 108.78 10.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 71.5 110.837 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -110.58 123.94 50.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 53.25 110.853 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -130.64 101.42 5.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 74.439999999999998 110.836 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 8' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' C' ' 8' ' ' SER . 22.2 m -148.44 174.49 12.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 64.540000000000006 110.841 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.95 -7.85 40.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 54.530000000000001 112.495 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -172.11 110.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 75.510000000000005 110.905 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -100.13 122.02 42.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 70.329999999999998 110.877 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -137.92 114.34 11.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 73.450000000000003 111.147 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -109.36 133.96 52.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.140000000000001 110.853 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -135.86 114.34 11.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 73.340000000000003 110.84 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.64 133.3 48.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 72.239999999999995 110.925 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 16' ' ' LYS . . . . . 0.54 ' O ' HD22 ' D' ' 17' ' ' LEU . 7.3 tptm -124.88 116.72 22.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 72.209999999999994 110.92 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.54 HD22 ' O ' ' D' ' 16' ' ' LYS . 4.0 mm? -123.73 110.31 14.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 74.420000000000002 110.875 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.686 ' CG2' HG12 ' C' ' 18' ' ' VAL . 30.9 m -118.74 120.89 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 61.130000000000003 111.112 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.475 ' HE1' HD12 ' D' ' 17' ' ' LEU . 2.4 m-85 -108.41 100.49 9.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 64.209999999999994 110.892 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 61.29 67.87 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 73.140000000000001 110.848 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.52 132.69 42.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 50.310000000000002 111.098 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 60.73 78.26 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 64.140000000000001 110.863 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 46.0 t -112.83 147.03 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 73.450000000000003 111.114 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.84 -46.39 8.51 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 43.229999999999997 112.513 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -160.42 121.68 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 53.020000000000003 110.905 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -96.57 99.73 11.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 72.109999999999999 110.88 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.28 145.2 43.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 74.400000000000006 110.909 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.04 -137.54 20.07 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 73.319999999999993 112.482 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.66 ' HB2' ' CE2' ' I' ' 4' ' ' PHE . . . -103.31 112.97 26.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 72.430000000000007 111.114 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.508 ' N ' HD13 ' D' ' 31' ' ' ILE . 0.0 OUTLIER -123.29 119.01 56.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 73.219999999999999 111.158 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -131.53 111.92 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 73.140000000000001 111.136 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 33' ' ' GLY . . . . . 0.431 ' HA3' ' HB3' ' D' ' 19' ' ' PHE . . . -48.08 -43.27 24.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.757 . . . . 72.450000000000003 112.519 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.89 HD22 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -163.27 147.08 10.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 73.519999999999996 110.864 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 3.2 ttp -130.48 122.97 28.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 75.420000000000002 110.907 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.856 HG21 HG11 ' I' ' 36' ' ' VAL . 74.1 t -136.77 113.26 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 54.43 111.104 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.46 8.92 60.48 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 63.340000000000003 112.509 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.55 -172.28 46.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 61.340000000000003 112.522 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.899 HG23 HG13 ' C' ' 39' ' ' VAL . 7.1 p -167.36 146.24 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 70.140000000000001 111.14 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.436 HG22 HG12 ' C' ' 40' ' ' VAL . 34.0 m . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 74.530000000000001 111.079 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.884 0.373 . . . . 73.409999999999997 110.891 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.47 88.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 75.010000000000005 111.068 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 3' ' ' GLU . . . . . 0.417 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . 5.2 mp0 -52.25 -30.89 29.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 60.240000000000002 110.904 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 4' ' ' PHE . . . . . 0.622 ' CE2' ' HB2' ' J' ' 30' ' ' ALA . 2.1 m-85 -157.72 115.0 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 63.140000000000001 110.899 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 tpt85 -128.07 108.17 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 63.32 110.864 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -111.16 123.34 50.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 72.230000000000004 110.887 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -128.82 100.96 5.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 74.150000000000006 110.878 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 22.6 m -150.02 170.88 17.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 63.439999999999998 110.811 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.27 -7.02 44.12 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 53.420000000000002 112.414 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -170.02 108.68 0.38 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.87 0.367 . . . . 74.209999999999994 110.904 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -101.12 121.45 41.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 74.299999999999997 110.872 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 21.3 t -137.77 115.57 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 55.210000000000001 111.098 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -108.89 134.26 51.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 75.439999999999998 110.836 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -133.81 113.96 12.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 73.310000000000002 110.843 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.9 133.12 46.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 75.230000000000004 110.901 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 16' ' ' LYS . . . . . 0.538 ' O ' HD22 ' E' ' 17' ' ' LEU . 7.3 tptm -124.96 115.72 21.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 74.019999999999996 110.934 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.538 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.2 mm? -124.41 110.06 14.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 72.439999999999998 110.912 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.665 ' CG2' HG12 ' D' ' 18' ' ' VAL . 27.5 m -119.38 124.35 72.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 72.030000000000001 111.12 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' E' ' 19' ' ' PHE . 1.7 m-85 -109.5 99.29 8.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 44.210000000000001 110.892 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 62.81 69.69 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 73.319999999999993 110.845 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.36 133.18 43.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 44.310000000000002 111.129 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 59.71 79.63 0.22 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 64.409999999999997 110.885 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.407 HG11 ' OD1' ' E' ' 27' ' ' ASN . 48.6 t -114.11 147.5 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 65.040000000000006 111.103 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.73 -46.14 8.05 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.685 -0.769 . . . . 55.43 112.474 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -161.21 122.98 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 75.109999999999999 110.868 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.407 ' OD1' HG11 ' E' ' 24' ' ' VAL . 77.8 m-20 -96.72 99.94 11.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 73.099999999999994 110.893 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.32 145.31 44.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 72.329999999999998 110.9 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.08 -139.47 22.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 44.219999999999999 112.486 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.634 ' HB2' ' CE2' ' J' ' 4' ' ' PHE . . . -98.95 113.44 25.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.759 0.314 . . . . 64.129999999999995 111.144 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.445 ' N ' HD13 ' E' ' 31' ' ' ILE . 0.0 OUTLIER -121.71 121.37 64.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 62.140000000000001 111.119 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 mt -133.1 110.64 15.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 71.420000000000002 111.125 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 33' ' ' GLY . . . . . 0.405 ' HA3' ' HB3' ' E' ' 19' ' ' PHE . . . -51.96 -37.95 45.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 55.409999999999997 112.443 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.709 HD22 ' O ' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -166.89 144.59 4.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.873 0.368 . . . . 53.240000000000002 110.876 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ttp -131.03 122.37 26.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 70.0 110.868 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.858 HG21 HG11 ' J' ' 36' ' ' VAL . 69.2 t -137.9 112.0 8.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 74.219999999999999 111.113 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.59 9.39 58.54 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.743 -0.741 . . . . 63.25 112.524 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -87.48 -171.33 47.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.724 . . . . 70.230000000000004 112.475 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.847 HG23 HG13 ' D' ' 39' ' ' VAL . 7.6 p -167.38 146.89 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 73.439999999999998 111.153 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.422 HG22 ' HA ' ' D' ' 40' ' ' VAL . 34.0 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 72.530000000000001 111.131 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.796 0.331 . . . . 72.549999999999997 110.854 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.06 88.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 54.439999999999998 111.102 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -52.67 -31.33 36.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 64.230000000000004 110.91 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 4' ' ' PHE . . . . . 0.724 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 1.7 m-85 -155.95 114.04 3.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 75.519999999999996 110.908 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 -132.48 108.55 9.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 72.099999999999994 110.862 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -110.39 124.89 52.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 55.210000000000001 110.845 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -131.38 101.65 5.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 74.319999999999993 110.907 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 23.1 m -148.37 176.31 10.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 64.430000000000007 110.872 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.72 -8.97 38.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 63.329999999999998 112.514 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -172.33 111.0 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.871 0.367 . . . . 73.049999999999997 110.898 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -101.17 122.44 43.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.504 . . . . 65.409999999999997 110.859 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 19.4 t -138.89 113.87 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 65.299999999999997 111.125 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 57.8 m170 -108.58 133.75 52.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 72.310000000000002 110.849 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -137.5 112.05 8.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 71.299999999999997 110.896 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.46 133.48 49.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 70.409999999999997 110.922 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -127.75 117.34 21.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 72.200000000000003 110.904 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.484 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.0 mm? -118.32 111.05 18.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 74.040000000000006 110.896 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.731 HG12 ' CG2' ' G' ' 18' ' ' VAL . 35.7 m -115.9 120.53 65.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 51.299999999999997 111.142 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.407 ' HD2' HD12 ' G' ' 34' ' ' LEU . 11.1 m-85 -111.69 101.09 9.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 73.540000000000006 110.889 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 62.33 65.83 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 74.319999999999993 110.89 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.83 133.11 41.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 75.519999999999996 111.092 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 61.51 78.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 70.409999999999997 110.88 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.455 HG11 ' ND2' ' F' ' 27' ' ' ASN . 43.4 t -112.66 147.66 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 61.020000000000003 111.125 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.65 -47.43 8.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.788 -0.72 . . . . 22.510000000000002 112.447 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.5 m -160.63 120.99 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 63.009999999999998 110.871 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 27' ' ' ASN . . . . . 0.455 ' ND2' HG11 ' F' ' 24' ' ' VAL . 18.3 m120 -96.93 99.51 11.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 60.140000000000001 110.908 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.53 140.72 48.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 74.409999999999997 110.893 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.69 -141.13 22.44 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 52.310000000000002 112.459 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.736 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . . . -101.74 113.37 26.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 54.299999999999997 111.105 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.522 HD13 ' C ' ' F' ' 30' ' ' ALA . 0.0 OUTLIER -127.89 123.25 60.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 54.329999999999998 111.157 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -137.15 114.51 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 75.450000000000003 111.129 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.34 -45.69 8.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 72.010000000000005 112.52 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.821 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -168.7 146.48 3.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.821 0.343 . . . . 74.510000000000005 110.943 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 3.4 ttp -129.55 126.78 39.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 64.040000000000006 110.887 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.797 HG21 HG11 ' A' ' 36' ' ' VAL . 60.9 t -131.81 114.09 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 73.239999999999995 111.144 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.85 6.41 81.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 62.020000000000003 112.47 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.19 -170.66 43.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.732 . . . . 33.109999999999999 112.481 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.932 HG13 HG23 ' G' ' 39' ' ' VAL . 7.1 p -168.92 146.19 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 70.019999999999996 111.145 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.486 HG12 HG22 ' G' ' 40' ' ' VAL . 33.9 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 75.420000000000002 111.148 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.841 0.353 . . . . 74.209999999999994 110.9 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.83 88.9 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 75.319999999999993 111.128 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -52.62 -31.35 36.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 53.530000000000001 110.918 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 4' ' ' PHE . . . . . 0.689 ' CE2' ' HB2' ' B' ' 30' ' ' ALA . 2.1 m-85 -157.82 114.04 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 75.450000000000003 110.889 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 tpt85 -130.56 109.0 10.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 74.219999999999999 110.899 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -109.96 124.79 52.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 63.409999999999997 110.805 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -131.43 101.38 5.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 72.319999999999993 110.878 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 8' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' H' ' 8' ' ' SER . 22.5 m -148.11 175.74 10.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 63.530000000000001 110.884 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.63 -8.57 39.93 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 53.100000000000001 112.492 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -172.68 110.24 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.89 0.376 . . . . 75.319999999999993 110.927 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -100.23 121.76 41.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 63.229999999999997 110.906 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 21.3 t -137.76 113.98 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 64.230000000000004 111.136 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 57.6 m170 -108.71 133.36 52.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 75.129999999999995 110.843 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -136.19 113.25 10.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 71.400000000000006 110.824 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.5 133.1 49.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 65.319999999999993 110.905 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 16' ' ' LYS . . . . . 0.459 ' O ' HD22 ' G' ' 17' ' ' LEU . 7.2 tptm -126.44 117.67 23.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 74.109999999999999 110.877 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.484 HD13 ' HB2' ' F' ' 17' ' ' LEU . 3.6 mm? -120.86 111.05 17.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 74.109999999999999 110.924 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.731 ' CG2' HG12 ' F' ' 18' ' ' VAL . 28.2 m -117.53 119.76 62.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 70.209999999999994 111.106 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.449 ' CE1' HD12 ' G' ' 17' ' ' LEU . 5.7 m-85 -110.26 101.17 9.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 71.209999999999994 110.866 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 61.74 66.18 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 72.120000000000005 110.894 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.58 132.79 41.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 52.43 111.128 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 60.98 78.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 74.030000000000001 110.875 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.436 HG11 ' ND2' ' G' ' 27' ' ' ASN . 43.4 t -113.38 147.86 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 75.519999999999996 111.113 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.55 -46.99 8.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 23.309999999999999 112.5 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 4.7 m -159.85 121.45 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 74.129999999999995 110.849 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 27' ' ' ASN . . . . . 0.436 ' ND2' HG11 ' G' ' 24' ' ' VAL . 17.3 m120 -97.22 99.49 10.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 65.129999999999995 110.869 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.08 144.29 44.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 75.230000000000004 110.913 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.57 -139.18 22.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.703 -0.761 . . . . 71.129999999999995 112.51 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.701 ' HB2' ' CE2' ' B' ' 4' ' ' PHE . . . -102.79 113.23 26.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.785 0.326 . . . . 50.119999999999997 111.074 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.504 HD13 ' C ' ' G' ' 30' ' ' ALA . 0.0 OUTLIER -125.67 120.67 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 72.310000000000002 111.139 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -134.53 112.1 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 62.299999999999997 111.134 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 33' ' ' GLY . . . . . 0.403 ' HA3' ' HB3' ' G' ' 19' ' ' PHE . . . -44.77 -44.95 8.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.728 -0.749 . . . . 31.309999999999999 112.476 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.879 HD22 ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -165.11 149.07 8.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.781 0.324 . . . . 73.140000000000001 110.904 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 2.5 ttp -130.44 126.02 35.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 73.439999999999998 110.863 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.859 HG21 HG11 ' B' ' 36' ' ' VAL . 74.7 t -136.06 113.8 14.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 73.409999999999997 111.131 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.44 7.7 64.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 73.200000000000003 112.53 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.1 -171.2 45.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.689 -0.767 . . . . 74.239999999999995 112.442 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.932 HG23 HG13 ' F' ' 39' ' ' VAL . 7.1 p -169.07 146.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 65.420000000000002 111.146 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.486 HG22 HG12 ' F' ' 40' ' ' VAL . 34.0 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 52.409999999999997 111.157 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.768 0.318 . . . . 72.439999999999998 110.84 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.29 88.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 64.510000000000005 111.083 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -52.14 -31.63 31.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 70.129999999999995 110.857 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 4' ' ' PHE . . . . . 0.657 ' CE2' ' HB2' ' C' ' 30' ' ' ALA . 2.2 m-85 -157.42 114.1 2.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 74.140000000000001 110.91 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -129.71 108.95 10.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 75.109999999999999 110.883 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -110.16 124.35 51.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 62.240000000000002 110.869 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -131.21 101.55 5.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 73.019999999999996 110.886 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 8' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' G' ' 8' ' ' SER . 21.7 m -147.98 175.44 10.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 74.219999999999999 110.855 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.72 -8.46 39.93 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.701 -0.761 . . . . 73.430000000000007 112.468 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -172.39 110.24 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.372 . . . . 54.539999999999999 110.909 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -99.89 122.12 42.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.136 -0.483 . . . . 64.430000000000007 110.932 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -138.39 114.19 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 71.439999999999998 111.093 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -109.22 133.22 53.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 71.120000000000005 110.876 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -135.56 113.92 11.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 71.049999999999997 110.867 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.72 133.23 49.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 73.430000000000007 110.934 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 16' ' ' LYS . . . . . 0.502 ' O ' HD22 ' H' ' 17' ' ' LEU . 7.3 tptm -125.55 117.11 22.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 62.130000000000003 110.851 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.502 HD22 ' O ' ' H' ' 16' ' ' LYS . 3.9 mm? -122.19 111.25 16.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 72.129999999999995 110.884 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.7 ' CG2' HG12 ' G' ' 18' ' ' VAL . 27.5 m -118.7 120.26 63.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 73.409999999999997 111.138 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.471 ' HE1' HD12 ' H' ' 17' ' ' LEU . 3.9 m-85 -109.45 100.58 9.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 75.430000000000007 110.842 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 61.11 67.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 73.129999999999995 110.852 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.8 132.53 42.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 74.219999999999999 111.055 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 60.73 79.01 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 53.32 110.875 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 41.9 t -112.85 148.21 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 74.450000000000003 111.118 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.21 -46.51 8.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 31.440000000000001 112.493 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -159.81 121.35 3.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.835 0.35 . . . . 72.140000000000001 110.876 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -97.22 99.39 10.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 73.109999999999999 110.87 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.04 145.38 43.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 41.399999999999999 110.876 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 29' ' ' GLY . . . . . 0.411 ' HA2' ' HA ' ' C' ' 3' ' ' GLU . . . 78.1 -138.51 21.41 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.724 -0.751 . . . . 54.43 112.483 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 30' ' ' ALA . . . . . 0.659 ' HB2' ' CE2' ' C' ' 4' ' ' PHE . . . -102.46 112.94 25.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.729 0.299 . . . . 64.25 111.132 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.503 HD13 ' C ' ' H' ' 30' ' ' ALA . 0.0 OUTLIER -124.42 119.58 56.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 74.450000000000003 111.08 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -133.59 113.06 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 72.010000000000005 111.083 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 33' ' ' GLY . . . . . 0.415 ' HA3' ' HB3' ' H' ' 19' ' ' PHE . . . -47.38 -45.47 22.15 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.765 -0.731 . . . . 44.240000000000002 112.454 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.899 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -162.61 147.61 12.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.827 0.346 . . . . 65.129999999999995 110.943 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 3.0 ttp -129.27 123.65 32.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 71.099999999999994 110.917 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.859 HG11 HG21 ' C' ' 36' ' ' VAL . 80.4 t -136.4 113.79 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 73.540000000000006 111.122 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.3 8.14 61.68 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 51.009999999999998 112.46 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.72 -171.96 46.27 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.713 -0.756 . . . . 71.310000000000002 112.485 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.92 HG23 HG13 ' G' ' 39' ' ' VAL . 7.2 p -168.74 146.09 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 73.540000000000006 111.177 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' H' H ' 40' ' ' VAL . . . . . 0.45 HG22 HG12 ' G' ' 40' ' ' VAL . 33.9 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 71.549999999999997 111.127 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.852 0.358 . . . . 71.340000000000003 110.891 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.82 88.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 61.450000000000003 111.127 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -52.14 -31.37 30.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 71.239999999999995 110.906 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 4' ' ' PHE . . . . . 0.66 ' CE2' ' HB2' ' D' ' 30' ' ' ALA . 2.1 m-85 -157.5 114.16 2.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 73.219999999999999 110.943 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -128.95 108.7 10.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 72.420000000000002 110.888 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -110.52 123.93 50.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 74.140000000000001 110.846 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -130.72 101.47 5.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 64.129999999999995 110.846 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 8' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' H' ' 8' ' ' SER . 21.3 m -148.39 174.6 11.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 73.200000000000003 110.813 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.75 -8.11 40.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.765 -0.731 . . . . 72.239999999999995 112.49 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -172.13 110.32 0.26 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.876 0.37 . . . . 75.409999999999997 110.905 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -99.77 122.04 42.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.491 . . . . 75.040000000000006 110.852 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 21.3 t -137.99 114.27 10.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 63.43 111.1 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 57.6 m170 -109.41 133.91 52.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 71.140000000000001 110.846 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -135.61 114.31 11.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 71.329999999999998 110.83 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.4 133.16 48.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 73.439999999999998 110.88 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' I' I ' 16' ' ' LYS . . . . . 0.546 ' O ' HD22 ' I' ' 17' ' ' LEU . 7.3 tptm -124.92 116.45 22.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 74.439999999999998 110.937 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.546 HD22 ' O ' ' I' ' 16' ' ' LYS . 4.0 mm? -123.68 110.38 14.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 75.319999999999993 110.914 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' I' I ' 18' ' ' VAL . . . . . 0.692 ' CG2' HG12 ' H' ' 18' ' ' VAL . 31.3 m -118.83 120.86 65.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 73.519999999999996 111.108 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' I' I ' 19' ' ' PHE . . . . . 0.467 ' HE1' HD12 ' I' ' 17' ' ' LEU . 2.4 m-85 -108.46 100.44 9.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 72.019999999999996 110.883 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 61.43 68.22 0.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 51.420000000000002 110.854 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.84 132.98 42.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 42.450000000000003 111.091 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 60.43 79.09 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 61.039999999999999 110.831 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 43.3 t -113.66 147.34 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 65.140000000000001 111.187 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.5 -46.49 7.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 61.210000000000001 112.527 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 4.7 m -159.65 121.18 3.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 55.109999999999999 110.846 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -97.04 99.19 10.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 74.109999999999999 110.893 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.4 146.48 42.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 63.149999999999999 110.869 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' I' I ' 29' ' ' GLY . . . . . 0.411 ' HA2' ' HA ' ' D' ' 3' ' ' GLU . . . 77.79 -137.95 20.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.791 -0.719 . . . . 71.340000000000003 112.463 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.687 ' HB2' ' CE2' ' D' ' 4' ' ' PHE . . . -103.11 112.85 25.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.76 0.314 . . . . 53.5 111.15 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.508 ' N ' HD13 ' I' ' 31' ' ' ILE . 0.0 OUTLIER -123.13 119.82 58.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 71.530000000000001 111.115 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -132.36 111.86 18.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 74.150000000000006 111.13 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 33' ' ' GLY . . . . . 0.416 ' HA3' ' HB3' ' I' ' 19' ' ' PHE . . . -48.39 -43.07 26.77 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 51.229999999999997 112.499 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.894 HD22 ' O ' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -163.6 146.95 10.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 64.530000000000001 110.896 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 3.1 ttp -130.12 122.96 29.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 70.420000000000002 110.901 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.856 HG11 HG21 ' D' ' 36' ' ' VAL . 71.3 t -137.18 113.61 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 64.129999999999995 111.139 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.38 8.77 59.95 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.727 . . . . 73.140000000000001 112.444 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.0 -173.36 46.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 72.030000000000001 112.494 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 0.909 HG23 HG13 ' H' ' 39' ' ' VAL . 7.2 p -167.34 146.51 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 64.230000000000004 111.111 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' I' I ' 40' ' ' VAL . . . . . 0.427 ' HA ' HG22 ' J' ' 40' ' ' VAL . 34.1 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 75.150000000000006 111.101 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.791 0.329 . . . . 73.319999999999993 110.879 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.82 88.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 75.109999999999999 111.053 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -51.96 -31.5 29.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.46 . . . . 71.530000000000001 110.953 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' J' J ' 4' ' ' PHE . . . . . 0.634 ' CE2' ' HB2' ' E' ' 30' ' ' ALA . 2.1 m-85 -157.88 115.04 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 75.129999999999995 110.867 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 4.4 tpt85 -128.6 108.55 10.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 73.299999999999997 110.849 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -111.0 123.06 49.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 75.109999999999999 110.857 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -128.88 101.12 5.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 73.129999999999995 110.832 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 23.8 m -149.52 170.4 18.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 71.040000000000006 110.845 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.41 -7.06 46.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 61.420000000000002 112.466 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -170.51 108.4 0.33 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.856 0.36 . . . . 72.0 110.951 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -100.18 121.16 41.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 74.099999999999994 110.857 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 21.3 t -137.73 115.01 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 65.349999999999994 111.12 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 57.5 m170 -108.46 134.72 50.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 61.439999999999998 110.882 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -134.34 113.75 12.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 74.530000000000001 110.867 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.69 132.96 46.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 71.030000000000001 110.935 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' J' J ' 16' ' ' LYS . . . . . 0.54 ' O ' HD22 ' J' ' 17' ' ' LEU . 7.2 tptm -124.92 115.77 21.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 74.209999999999994 110.917 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.54 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.2 mm? -124.52 109.89 13.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 75.519999999999996 110.891 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.679 ' CG2' HG12 ' I' ' 18' ' ' VAL . 26.4 m -119.3 124.48 73.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 73.400000000000006 111.122 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' J' ' 19' ' ' PHE . 1.6 m-85 -109.89 99.25 8.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 73.120000000000005 110.895 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 62.82 70.06 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 74.319999999999993 110.89 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.05 132.83 44.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 74.409999999999997 111.117 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 60.12 79.76 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 73.200000000000003 110.84 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.404 HG11 ' OD1' ' J' ' 27' ' ' ASN . 47.4 t -114.48 147.79 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 62.219999999999999 111.144 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.07 -46.48 7.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 73.420000000000002 112.484 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 4.5 m -160.35 121.86 3.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 73.519999999999996 110.855 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' J' J ' 27' ' ' ASN . . . . . 0.404 ' OD1' HG11 ' J' ' 24' ' ' VAL . 76.4 m-20 -96.65 99.25 10.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 64.209999999999994 110.911 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.05 146.7 42.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 63.43 110.885 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' J' J ' 29' ' ' GLY . . . . . 0.417 ' HA2' ' HA ' ' E' ' 3' ' ' GLU . . . 77.53 -140.56 24.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 73.430000000000007 112.538 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 0.622 ' HB2' ' CE2' ' E' ' 4' ' ' PHE . . . -98.4 112.91 24.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 72.230000000000004 111.108 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.439 ' N ' HD13 ' J' ' 31' ' ' ILE . 0.0 OUTLIER -121.44 121.96 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 61.530000000000001 111.101 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 mt -132.91 110.38 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 64.349999999999994 111.133 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' J' J ' 33' ' ' GLY . . . . . 0.401 ' HA3' ' HB3' ' J' ' 19' ' ' PHE . . . -51.83 -36.85 42.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.746 . . . . 52.5 112.509 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.719 HD22 ' O ' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -168.23 144.7 3.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.76 0.314 . . . . 74.299999999999997 110.932 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 3.5 ttp -130.51 121.69 26.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 62.310000000000002 110.903 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.858 HG11 HG21 ' E' ' 36' ' ' VAL . 78.4 t -138.27 111.7 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 63.340000000000003 111.163 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.29 9.02 60.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 61.439999999999998 112.485 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.41 -170.78 45.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.789 -0.719 . . . . 64.010000000000005 112.465 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.843 HG23 HG13 ' I' ' 39' ' ' VAL . 7.6 p -167.96 147.02 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.389 . . . . 73.120000000000005 111.117 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.427 HG22 ' HA ' ' I' ' 40' ' ' VAL . 34.2 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 74.219999999999999 111.11 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.821 0.343 . . . . 61.329999999999998 110.857 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.08 91.72 7.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 73.219999999999999 111.12 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' GLU . . . . . 0.551 ' HB3' ' HA2' ' F' ' 29' ' ' GLY . 3.4 mm-40 -56.32 -40.41 74.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 74.310000000000002 110.93 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -169.92 116.34 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 72.519999999999996 110.892 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -103.51 108.28 19.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 71.310000000000002 110.873 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -109.29 114.91 28.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 74.219999999999999 110.806 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -135.16 100.76 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 61.329999999999998 110.847 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.488 ' O ' ' HA ' ' B' ' 8' ' ' SER . 80.0 p -147.91 127.91 13.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 64.439999999999998 110.871 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.57 -21.5 21.38 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.746 -0.74 . . . . 44.43 112.452 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -159.74 111.56 2.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 71.319999999999993 110.9 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -109.65 119.68 40.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 63.210000000000001 110.867 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.6 t -138.19 134.9 44.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 74.140000000000001 111.109 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -130.51 112.71 13.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 74.230000000000004 110.824 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -117.04 126.46 52.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 71.129999999999995 110.852 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.557 ' HG3' HG12 ' F' ' 39' ' ' VAL . 0.0 OUTLIER -130.09 133.48 46.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 61.310000000000002 110.892 -179.922 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.506 ' C ' HD22 ' A' ' 17' ' ' LEU . 8.7 tttp -126.4 125.04 41.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 73.409999999999997 110.881 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.662 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.5 mm? -124.22 103.09 8.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 74.549999999999997 110.935 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.696 HG12 ' HB2' ' A' ' 21' ' ' ALA . 2.1 t -109.61 111.22 35.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 61.200000000000003 111.158 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.446 ' HD2' HD12 ' B' ' 34' ' ' LEU . 7.4 m-85 -102.94 138.83 39.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 73.519999999999996 110.812 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.645 ' CE1' HG22 ' A' ' 31' ' ' ILE . 16.7 m-85 62.02 39.97 12.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 74.310000000000002 110.906 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.696 ' HB2' HG12 ' A' ' 18' ' ' VAL . . . -91.35 121.91 33.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 72.239999999999995 111.083 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 60.49 75.49 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 65.209999999999994 110.878 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.641 ' CG1' HG23 ' B' ' 24' ' ' VAL . 4.0 p -129.28 142.64 43.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 72.150000000000006 111.112 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.91 -48.48 78.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 73.310000000000002 112.495 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.07 141.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 61.219999999999999 110.883 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ASN . . . . . 0.528 ' OD1' HG21 ' A' ' 31' ' ' ILE . 93.9 m-20 -101.22 107.83 19.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 54.32 110.869 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.81 159.92 18.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 52.43 110.916 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.93 -128.94 22.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 64.140000000000001 112.471 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.16 113.79 26.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.323 . . . . 62.130000000000003 111.065 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.645 HG22 ' CE1' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -128.42 124.81 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 71.140000000000001 111.145 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 mt -134.78 116.56 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 73.430000000000007 111.15 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.408 ' N ' ' CZ ' ' A' ' 20' ' ' PHE . . . -47.46 -53.08 12.97 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.719 -0.753 . . . . 64.129999999999995 112.458 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.828 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -159.01 153.31 23.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 74.409999999999997 110.926 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.1 mtp -132.98 131.32 40.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 62.43 110.851 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 1.085 HG11 HG21 ' F' ' 36' ' ' VAL . 50.6 t -121.11 115.61 47.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 72.030000000000001 111.143 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 54.18 27.89 40.44 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 41.32 112.497 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.97 -177.55 17.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.787 -0.721 . . . . 61.5 112.501 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.56 HG12 ' HG3' ' F' ' 15' ' ' GLN . 8.0 p -148.96 136.26 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.377 . . . . 53.020000000000003 111.139 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.456 ' C ' HG22 ' B' ' 40' ' ' VAL . 22.0 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 61.530000000000001 111.095 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.821 0.343 . . . . 33.32 110.872 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 2' ' ' ALA . . . . . 0.404 ' HB1' ' HG2' ' B' ' 5' ' ' ARG . . . -88.61 95.46 10.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 73.209999999999994 111.091 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 3' ' ' GLU . . . . . 0.513 ' HB3' ' HA2' ' G' ' 29' ' ' GLY . 4.4 mm-40 -54.28 -32.89 57.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 70.310000000000002 110.935 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -168.45 118.91 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 74.209999999999994 110.877 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 5' ' ' ARG . . . . . 0.404 ' HG2' ' HB1' ' B' ' 2' ' ' ALA . 5.7 mmt85 -105.46 107.89 19.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 71.430000000000007 110.828 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -108.69 116.24 31.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 70.140000000000001 110.862 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -131.98 100.98 5.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 65.219999999999999 110.884 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.513 ' O ' ' HA ' ' C' ' 8' ' ' SER . 79.5 p -148.0 126.43 12.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 75.109999999999999 110.86 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.88 -20.93 21.43 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.776 -0.726 . . . . 74.129999999999995 112.492 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 10' ' ' TYR . . . . . 0.406 ' HD1' HG23 ' B' ' 12' ' ' VAL . 0.9 OUTLIER -161.29 109.04 1.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.89 0.376 . . . . 71.400000000000006 110.961 -179.839 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -106.9 120.2 41.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 65.519999999999996 110.894 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 12' ' ' VAL . . . . . 0.406 HG23 ' HD1' ' B' ' 10' ' ' TYR . 41.3 t -137.3 135.57 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 74.430000000000007 111.131 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -131.33 112.8 13.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 75.420000000000002 110.834 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -115.61 128.44 55.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 61.25 110.865 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.574 ' HG3' HG12 ' G' ' 39' ' ' VAL . 0.0 OUTLIER -128.94 134.3 48.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 53.509999999999998 110.905 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.571 ' O ' HD22 ' B' ' 17' ' ' LEU . 8.3 tttp -124.2 125.79 45.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 65.209999999999994 110.926 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.669 ' HB2' HD13 ' C' ' 17' ' ' LEU . 4.6 mm? -127.6 102.15 6.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 71.420000000000002 110.946 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.854 HG12 ' HB2' ' B' ' 21' ' ' ALA . 1.5 t -109.31 113.25 43.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 53.100000000000001 111.152 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.488 ' CE1' HD12 ' B' ' 17' ' ' LEU . 4.8 m-85 -107.7 134.3 50.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 71.439999999999998 110.892 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.651 ' HE1' HG22 ' B' ' 31' ' ' ILE . 20.5 m-85 62.13 39.45 12.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 70.420000000000002 110.84 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.854 ' HB2' HG12 ' B' ' 18' ' ' VAL . . . -91.24 124.3 35.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 64.120000000000005 111.069 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 57.45 75.38 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 72.239999999999995 110.895 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.683 HG11 HG23 ' C' ' 24' ' ' VAL . 6.7 p -127.42 142.25 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 73.319999999999993 111.167 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.46 -47.08 92.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 31.539999999999999 112.527 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.97 140.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 72.540000000000006 110.856 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.55 ' OD1' HG21 ' B' ' 31' ' ' ILE . 92.2 m-20 -101.85 107.96 19.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 64.209999999999994 110.901 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.67 161.17 16.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 72.200000000000003 110.882 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.11 -130.08 18.59 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 54.130000000000003 112.488 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.72 114.18 26.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.751 0.31 . . . . 72.140000000000001 111.091 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.651 HG22 ' HE1' ' B' ' 20' ' ' PHE . 0.5 OUTLIER -127.56 121.9 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 64.329999999999998 111.162 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.4 HG21 ' HG3' ' B' ' 35' ' ' MET . 6.8 mt -131.44 118.06 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 73.310000000000002 111.168 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' GLY . . . . . 0.4 ' N ' ' CZ ' ' B' ' 20' ' ' PHE . . . -48.07 -52.97 15.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 75.120000000000005 112.493 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.842 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -155.83 151.65 27.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 73.310000000000002 110.904 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.4 ' HG3' HG21 ' B' ' 32' ' ' ILE . 5.4 mtp -129.23 124.92 35.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 74.109999999999999 110.868 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 1.034 HG21 HG11 ' G' ' 36' ' ' VAL . 53.2 t -121.73 113.64 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 44.130000000000003 111.178 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.88 28.51 31.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.751 . . . . 21.41 112.527 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.35 -178.05 17.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 41.43 112.482 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.574 HG12 ' HG3' ' G' ' 15' ' ' GLN . 7.3 p -149.37 135.09 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.371 . . . . 53.310000000000002 111.151 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.501 ' C ' HG22 ' C' ' 40' ' ' VAL . 19.2 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 74.329999999999998 111.088 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.812 0.339 . . . . 65.340000000000003 110.859 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 2' ' ' ALA . . . . . 0.442 ' HB1' ' HG2' ' C' ' 5' ' ' ARG . . . -89.71 95.18 10.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 54.439999999999998 111.068 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 3' ' ' GLU . . . . . 0.422 ' HA ' ' HG3' ' B' ' 3' ' ' GLU . 4.2 mm-40 -55.82 -30.97 62.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 62.109999999999999 110.887 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -169.52 115.74 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 73.109999999999999 110.92 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 5' ' ' ARG . . . . . 0.442 ' HG2' ' HB1' ' C' ' 2' ' ' ALA . 5.6 mmt85 -105.82 106.99 17.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 75.299999999999997 110.916 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -108.31 117.73 34.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 71.510000000000005 110.882 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -130.88 100.18 5.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 75.530000000000001 110.906 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 8' ' ' SER . . . . . 0.513 ' HA ' ' O ' ' B' ' 8' ' ' SER . 79.4 p -147.5 127.37 13.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 62.420000000000002 110.853 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.23 -20.95 23.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.697 -0.763 . . . . 63.210000000000001 112.51 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 10' ' ' TYR . . . . . 0.406 ' HD1' HG23 ' C' ' 12' ' ' VAL . 1.0 OUTLIER -162.01 110.94 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 55.439999999999998 110.922 -179.811 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -108.19 120.37 42.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 73.200000000000003 110.874 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 12' ' ' VAL . . . . . 0.406 HG23 ' HD1' ' C' ' 10' ' ' TYR . 41.6 t -136.87 135.69 48.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 63.219999999999999 111.148 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -131.07 113.09 13.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 74.209999999999994 110.849 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -114.14 130.37 56.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 74.310000000000002 110.862 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 15' ' ' GLN . . . . . 0.519 ' HG3' HG12 ' H' ' 39' ' ' VAL . 0.0 OUTLIER -130.1 134.12 47.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 74.450000000000003 110.931 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.627 ' O ' HD22 ' C' ' 17' ' ' LEU . 8.3 tttp -123.46 123.96 41.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 72.540000000000006 110.905 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.669 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.6 mm? -129.34 101.95 6.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 71.239999999999995 110.946 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.857 HG12 ' HB2' ' C' ' 21' ' ' ALA . 1.4 t -110.51 114.48 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 62.340000000000003 111.138 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.467 ' HE1' HD12 ' C' ' 17' ' ' LEU . 3.4 m-85 -108.06 133.69 52.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 74.519999999999996 110.877 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.659 ' HE1' HG22 ' C' ' 31' ' ' ILE . 21.0 m-85 60.64 40.66 16.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 73.310000000000002 110.877 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 0.857 ' HB2' HG12 ' C' ' 18' ' ' VAL . . . -90.42 124.9 35.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 72.430000000000007 111.106 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 53.87 75.18 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 75.200000000000003 110.854 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.692 HG11 HG23 ' D' ' 24' ' ' VAL . 9.3 p -123.3 140.55 46.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 70.420000000000002 111.126 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.17 -46.14 94.25 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.772 -0.728 . . . . 55.420000000000002 112.5 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.9 137.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 63.299999999999997 110.849 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.518 ' OD1' HG21 ' C' ' 31' ' ' ILE . 92.4 m-20 -101.56 106.62 17.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 74.430000000000007 110.897 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.45 161.21 15.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.230000000000004 110.911 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.92 -131.6 23.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.803 -0.713 . . . . 73.540000000000006 112.462 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.01 114.07 25.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 35.200000000000003 111.12 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.659 HG22 ' HE1' ' C' ' 20' ' ' PHE . 0.5 OUTLIER -127.0 121.46 58.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 74.239999999999995 111.13 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.47 HG21 ' HG3' ' C' ' 35' ' ' MET . 6.9 mt -130.51 117.99 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 64.010000000000005 111.128 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.45 -53.03 17.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 52.109999999999999 112.525 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.867 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -154.41 149.64 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.349 . . . . 73.310000000000002 110.871 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.47 ' HG3' HG21 ' C' ' 32' ' ' ILE . 6.0 mtp -128.15 123.25 33.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 64.129999999999995 110.862 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 1.001 HG21 HG11 ' H' ' 36' ' ' VAL . 62.1 t -122.71 112.53 34.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 73.010000000000005 111.134 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.82 31.01 30.45 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.741 . . . . 72.319999999999993 112.506 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.23 -178.7 16.65 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 40.149999999999999 112.477 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.545 HG23 HG13 ' B' ' 39' ' ' VAL . 7.7 p -149.46 134.56 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 74.230000000000004 111.139 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.526 ' C ' HG22 ' D' ' 40' ' ' VAL . 18.1 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 73.310000000000002 111.167 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.789 0.328 . . . . 73.140000000000001 110.851 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 2' ' ' ALA . . . . . 0.493 ' HB1' ' HG2' ' D' ' 5' ' ' ARG . . . -90.12 93.87 9.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 73.0 111.066 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 3' ' ' GLU . . . . . 0.403 ' HA ' ' HG3' ' C' ' 3' ' ' GLU . 4.1 mm-40 -55.21 -29.28 57.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 74.209999999999994 110.889 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -170.4 115.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 70.129999999999995 110.888 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 5' ' ' ARG . . . . . 0.493 ' HG2' ' HB1' ' D' ' 2' ' ' ALA . 5.7 mmt85 -106.63 106.53 17.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 61.509999999999998 110.868 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -107.53 119.21 38.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 75.540000000000006 110.9 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -130.14 100.05 5.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 75.129999999999995 110.879 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 8' ' ' SER . . . . . 0.508 ' HA ' ' O ' ' C' ' 8' ' ' SER . 79.5 p -148.05 127.27 12.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 53.340000000000003 110.875 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.48 -21.1 26.23 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.752 . . . . 64.409999999999997 112.511 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -162.43 110.9 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.861 0.362 . . . . 73.340000000000003 110.928 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -108.02 120.81 43.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 75.299999999999997 110.934 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 41.7 t -136.67 135.76 48.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 60.140000000000001 111.102 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -130.38 114.11 15.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 75.299999999999997 110.858 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -113.5 131.69 55.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 71.450000000000003 110.862 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 15' ' ' GLN . . . . . 0.433 ' HG3' HG12 ' I' ' 39' ' ' VAL . 0.0 OUTLIER -132.01 133.76 44.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 74.109999999999999 110.91 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 16' ' ' LYS . . . . . 0.664 ' O ' HD22 ' D' ' 17' ' ' LEU . 8.3 tttp -122.6 121.69 37.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 64.319999999999993 110.867 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.664 HD22 ' O ' ' D' ' 16' ' ' LYS . 4.6 mm? -130.48 101.44 5.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 65.329999999999998 110.952 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.845 HG12 ' HB2' ' D' ' 21' ' ' ALA . 0.8 OUTLIER -110.57 116.41 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 75.420000000000002 111.12 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.494 ' HD2' HD12 ' E' ' 34' ' ' LEU . 2.2 m-85 -108.06 133.58 52.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 72.510000000000005 110.852 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.651 ' HE1' HG22 ' D' ' 31' ' ' ILE . 19.7 m-85 58.5 40.67 23.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 74.299999999999997 110.882 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 21' ' ' ALA . . . . . 0.845 ' HB2' HG12 ' D' ' 18' ' ' VAL . . . -90.36 124.08 34.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 74.439999999999998 111.066 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 54.09 73.27 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 73.109999999999999 110.859 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.692 HG23 HG11 ' C' ' 24' ' ' VAL . 9.9 p -119.11 138.03 51.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 63.549999999999997 111.13 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.91 -44.55 96.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.759 -0.734 . . . . 71.450000000000003 112.461 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.43 134.45 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 75.299999999999997 110.884 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.496 ' OD1' HG21 ' D' ' 31' ' ' ILE . 92.5 m-20 -101.23 106.43 17.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 72.519999999999996 110.851 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.83 161.46 15.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 62.340000000000003 110.92 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.73 -131.99 27.17 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 41.399999999999999 112.49 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.08 114.03 25.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.758 0.313 . . . . 73.540000000000006 111.119 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.651 HG22 ' HE1' ' D' ' 20' ' ' PHE . 0.5 OUTLIER -127.62 121.36 56.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 64.409999999999997 111.149 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.562 HG21 ' HG3' ' D' ' 35' ' ' MET . 6.9 mt -129.62 118.19 44.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 44.539999999999999 111.158 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.11 -54.11 16.32 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.689 -0.767 . . . . 71.209999999999994 112.457 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.882 HD22 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -152.18 146.8 25.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.772 0.32 . . . . 72.319999999999993 110.902 -179.894 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.562 ' HG3' HG21 ' D' ' 32' ' ' ILE . 6.5 mtp -127.89 123.1 34.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 61.420000000000002 110.908 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 1.022 HG11 HG21 ' I' ' 36' ' ' VAL . 59.4 t -125.53 112.39 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 63.530000000000001 111.135 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.3 31.27 34.5 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.695 -0.764 . . . . 63.530000000000001 112.483 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.12 -178.85 16.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 61.119999999999997 112.519 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.527 HG23 HG13 ' C' ' 39' ' ' VAL . 9.0 p -149.53 134.08 9.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.918 0.39 . . . . 74.109999999999999 111.123 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.526 HG22 ' C ' ' C' ' 40' ' ' VAL . 18.4 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 72.109999999999999 111.112 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.815 0.341 . . . . 71.120000000000005 110.897 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 2' ' ' ALA . . . . . 0.511 ' HB1' ' HG2' ' E' ' 5' ' ' ARG . . . -89.69 93.31 9.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 75.439999999999998 111.086 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -55.44 -27.21 46.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 71.329999999999998 110.873 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 4' ' ' PHE . . . . . 0.425 ' CD1' ' HB2' ' J' ' 30' ' ' ALA . 1.8 t80 -168.98 118.18 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 73.430000000000007 110.87 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 5' ' ' ARG . . . . . 0.511 ' HG2' ' HB1' ' E' ' 2' ' ' ALA . 5.8 mmt85 -107.27 106.4 16.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 73.129999999999995 110.899 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -108.2 119.19 38.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 54.340000000000003 110.886 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -128.28 99.44 5.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 62.340000000000003 110.863 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 8' ' ' SER . . . . . 0.469 ' HA ' ' O ' ' D' ' 8' ' ' SER . 79.5 p -150.06 129.88 13.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 74.510000000000005 110.84 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.09 -20.25 48.9 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.742 . . . . 61.5 112.533 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -162.17 111.08 1.45 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.866 0.365 . . . . 72.510000000000005 110.931 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -110.03 120.29 41.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 64.030000000000001 110.895 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 37.6 t -136.89 137.55 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 74.150000000000006 111.082 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 13' ' ' HIS . . . . . 0.505 ' HB3' HG21 ' J' ' 39' ' ' VAL . 36.9 m170 -130.94 113.58 14.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 72.329999999999998 110.852 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -111.17 132.02 54.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 73.540000000000006 110.839 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.96 137.5 47.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 64.099999999999994 110.925 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 16' ' ' LYS . . . . . 0.709 ' O ' HD22 ' E' ' 17' ' ' LEU . 7.6 tttp -123.24 120.04 31.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 74.430000000000007 110.878 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.709 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.5 mm? -132.09 101.97 5.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 72.049999999999997 110.937 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.797 HG12 ' HB2' ' E' ' 21' ' ' ALA . 0.2 OUTLIER -111.14 120.52 61.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 75.129999999999995 111.116 179.877 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.486 ' HE1' HD12 ' E' ' 17' ' ' LEU . 1.8 m-85 -110.35 133.1 53.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 70.239999999999995 110.898 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.546 ' HE1' HG22 ' E' ' 31' ' ' ILE . 20.6 m-85 55.63 40.2 30.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 75.519999999999996 110.883 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 21' ' ' ALA . . . . . 0.797 ' HB2' HG12 ' E' ' 18' ' ' VAL . . . -90.07 125.11 35.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 74.109999999999999 111.087 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 52.64 73.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 74.099999999999994 110.891 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.666 HG23 HG11 ' D' ' 24' ' ' VAL . 9.9 p -117.01 135.93 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 71.239999999999995 111.122 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.5 -43.12 97.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 63.030000000000001 112.495 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.68 128.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 73.510000000000005 110.881 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.519 ' OD1' HG21 ' E' ' 31' ' ' ILE . 85.7 m-20 -99.0 107.81 20.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 61.140000000000001 110.858 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.44 162.94 15.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 71.299999999999997 110.895 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 29' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' J' ' 3' ' ' GLU . . . 49.84 -133.27 27.4 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 63.200000000000003 112.469 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.78 113.78 25.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 72.299999999999997 111.08 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.546 HG22 ' HE1' ' E' ' 20' ' ' PHE . 0.5 OUTLIER -127.75 119.95 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 74.200000000000003 111.149 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.577 HG21 ' HG3' ' E' ' 35' ' ' MET . 6.6 mt -124.66 117.48 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 75.129999999999995 111.1 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 33' ' ' GLY . . . . . 0.479 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -50.02 -49.21 36.87 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.735 -0.745 . . . . 61.520000000000003 112.504 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.816 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -152.95 149.91 28.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 75.439999999999998 110.906 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.577 ' HG3' HG21 ' E' ' 32' ' ' ILE . 7.4 mtp -132.03 121.65 24.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 64.319999999999993 110.855 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.997 HG21 HG11 ' J' ' 36' ' ' VAL . 69.7 t -128.41 110.63 21.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 72.120000000000005 111.131 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.22 30.98 18.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 41.310000000000002 112.477 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.11 -178.33 17.18 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.739 . . . . 75.409999999999997 112.477 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.412 HG21 ' HB3' ' J' ' 13' ' ' HIS . 9.1 p -149.52 135.67 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.37 . . . . 61.240000000000002 111.092 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.424 HG22 ' C ' ' D' ' 40' ' ' VAL . 19.0 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 71.409999999999997 111.128 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.81 0.338 . . . . 63.229999999999997 110.896 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 2' ' ' ALA . . . . . 0.571 ' HB1' ' HG2' ' F' ' 5' ' ' ARG . . . -81.24 86.48 6.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 71.420000000000002 111.12 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -51.83 -36.32 47.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 75.140000000000001 110.911 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -158.52 115.75 2.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 72.430000000000007 110.893 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 5' ' ' ARG . . . . . 0.571 ' HG2' ' HB1' ' F' ' 2' ' ' ALA . 5.5 mmt85 -107.77 108.57 19.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.129999999999995 110.901 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -110.87 113.86 26.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 71.409999999999997 110.872 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -127.56 105.68 8.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 72.219999999999999 110.86 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 8' ' ' SER . . . . . 0.455 ' O ' ' HA ' ' G' ' 8' ' ' SER . 79.3 p -144.79 127.69 16.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 75.120000000000005 110.885 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.46 -20.62 24.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.707 -0.759 . . . . 75.5 112.529 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 10' ' ' TYR . . . . . 0.414 ' HD1' HG23 ' F' ' 12' ' ' VAL . 0.8 OUTLIER -160.07 111.27 1.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 73.5 110.926 -179.828 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -108.76 119.08 38.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.503 . . . . 72.430000000000007 110.918 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 12' ' ' VAL . . . . . 0.414 HG23 ' HD1' ' F' ' 10' ' ' TYR . 39.1 t -138.53 136.66 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 51.119999999999997 111.156 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -132.26 113.16 12.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 62.350000000000001 110.872 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -118.28 125.46 50.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 61.25 110.845 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 15' ' ' GLN . . . . . 0.56 ' HG3' HG12 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -130.71 134.78 47.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 71.319999999999993 110.944 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' F' F ' 16' ' ' LYS . . . . . 0.486 ' C ' HD22 ' F' ' 17' ' ' LEU . 8.8 tttp -126.55 123.64 38.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 74.030000000000001 110.943 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.661 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.5 mm? -122.61 102.74 8.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 72.349999999999994 110.996 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.695 HG12 ' HB2' ' F' ' 21' ' ' ALA . 2.1 t -110.84 112.33 40.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 60.520000000000003 111.106 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.416 ' HD2' HD12 ' G' ' 34' ' ' LEU . 7.8 m-85 -102.05 137.46 40.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 75.209999999999994 110.916 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 20' ' ' PHE . . . . . 0.607 ' CE1' HG22 ' F' ' 31' ' ' ILE . 16.1 m-85 61.52 41.08 12.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 72.439999999999998 110.863 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 21' ' ' ALA . . . . . 0.695 ' HB2' HG12 ' F' ' 18' ' ' VAL . . . -91.98 124.05 35.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 73.140000000000001 111.133 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 61.03 75.11 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 72.120000000000005 110.876 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.642 ' CG1' HG23 ' G' ' 24' ' ' VAL . 3.7 p -130.66 141.7 45.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 55.130000000000003 111.125 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.3 -47.49 87.5 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.731 . . . . 74.120000000000005 112.481 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.75 141.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 50.149999999999999 110.847 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 27' ' ' ASN . . . . . 0.498 ' OD1' HG21 ' F' ' 31' ' ' ILE . 78.9 m-20 -99.78 104.83 16.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 65.420000000000002 110.886 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.49 162.05 16.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 51.329999999999998 110.899 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 29' ' ' GLY . . . . . 0.551 ' HA2' ' HB3' ' A' ' 3' ' ' GLU . . . 50.26 -134.66 28.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 72.329999999999998 112.479 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.78 112.96 24.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.724 0.297 . . . . 54.439999999999998 111.145 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.607 HG22 ' CE1' ' F' ' 20' ' ' PHE . 0.4 OUTLIER -126.89 129.48 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.418 . . . . 52.200000000000003 111.154 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 10.5 mt -135.91 116.2 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 54.130000000000003 111.204 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 33' ' ' GLY . . . . . 0.42 ' N ' ' CZ ' ' F' ' 20' ' ' PHE . . . -46.63 -55.24 8.24 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 74.530000000000001 112.465 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.835 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -160.15 152.91 21.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.835 0.35 . . . . 61.119999999999997 110.894 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 5.5 mtp -131.66 128.2 38.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 71.150000000000006 110.88 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 1.085 HG21 HG11 ' A' ' 36' ' ' VAL . 52.2 t -121.37 115.93 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 72.439999999999998 111.134 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.6 27.54 34.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 65.230000000000004 112.442 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.53 -177.79 16.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 70.409999999999997 112.451 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.571 ' O ' HG23 ' G' ' 39' ' ' VAL . 9.9 p -149.14 137.47 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.916 0.389 . . . . 53.240000000000002 111.089 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.486 ' C ' HG22 ' G' ' 40' ' ' VAL . 19.6 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 75.430000000000007 111.146 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.823 0.344 . . . . 73.140000000000001 110.833 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 2' ' ' ALA . . . . . 0.546 ' HB1' ' HG2' ' G' ' 5' ' ' ARG . . . -81.88 84.72 6.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 72.299999999999997 111.11 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 3' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' H' ' 3' ' ' GLU . 3.1 mm-40 -50.55 -32.27 18.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 60.210000000000001 110.85 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -165.66 115.85 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 72.540000000000006 110.84 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 5' ' ' ARG . . . . . 0.546 ' HG2' ' HB1' ' G' ' 2' ' ' ALA . 5.7 mmt85 -109.54 108.99 19.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 74.040000000000006 110.855 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -111.53 115.59 29.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 60.039999999999999 110.883 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -127.73 104.77 8.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 54.119999999999997 110.842 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 8' ' ' SER . . . . . 0.487 ' O ' ' HA ' ' H' ' 8' ' ' SER . 79.5 p -146.72 126.06 13.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 74.150000000000006 110.897 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.09 -20.1 26.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 42.299999999999997 112.524 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 10' ' ' TYR . . . . . 0.409 ' HD1' HG23 ' G' ' 12' ' ' VAL . 0.8 OUTLIER -161.31 107.85 1.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 62.350000000000001 110.906 -179.807 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -105.61 119.48 39.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 52.240000000000002 110.91 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 12' ' ' VAL . . . . . 0.409 HG23 ' HD1' ' G' ' 10' ' ' TYR . 41.1 t -137.17 136.39 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 72.340000000000003 111.148 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -132.02 113.42 13.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 71.340000000000003 110.834 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -116.37 128.16 55.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 75.239999999999995 110.864 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 15' ' ' GLN . . . . . 0.574 ' HG3' HG12 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -130.82 134.77 47.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 74.150000000000006 110.912 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' G' G ' 16' ' ' LYS . . . . . 0.561 ' O ' HD22 ' G' ' 17' ' ' LEU . 8.5 tttp -124.89 125.47 44.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 74.219999999999999 110.89 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.666 ' HB2' HD13 ' H' ' 17' ' ' LEU . 4.5 mm? -126.73 101.06 6.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 64.329999999999998 110.895 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.815 HG12 ' HB2' ' G' ' 21' ' ' ALA . 1.5 t -109.17 114.23 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 75.150000000000006 111.149 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.458 ' HE1' HD12 ' G' ' 17' ' ' LEU . 4.3 m-85 -107.29 133.59 51.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 75.239999999999995 110.859 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 0.587 ' CE1' HG22 ' G' ' 31' ' ' ILE . 18.1 m-85 62.38 39.39 12.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 62.229999999999997 110.86 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 21' ' ' ALA . . . . . 0.815 ' HB2' HG12 ' G' ' 18' ' ' VAL . . . -91.47 127.31 36.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 52.210000000000001 111.105 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 56.43 75.72 0.33 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 71.349999999999994 110.859 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.691 HG11 HG23 ' H' ' 24' ' ' VAL . 8.4 p -128.73 140.05 50.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 54.520000000000003 111.13 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.87 -46.01 92.91 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 62.109999999999999 112.451 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.82 140.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.909 0.385 . . . . 71.150000000000006 110.886 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 27' ' ' ASN . . . . . 0.462 ' OD1' HG21 ' G' ' 31' ' ' ILE . 83.0 m-20 -102.1 103.83 14.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 53.219999999999999 110.897 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.25 163.98 13.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 64.230000000000004 110.892 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 29' ' ' GLY . . . . . 0.513 ' HA2' ' HB3' ' B' ' 3' ' ' GLU . . . 49.99 -134.62 27.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.743 . . . . 73.239999999999995 112.482 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.03 113.42 25.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.786 0.326 . . . . 74.420000000000002 111.109 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.587 HG22 ' CE1' ' G' ' 20' ' ' PHE . 0.5 OUTLIER -125.88 127.73 71.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 61.329999999999998 111.181 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 10.0 mt -134.03 116.72 23.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 71.120000000000005 111.123 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 33' ' ' GLY . . . . . 0.411 ' N ' ' CZ ' ' G' ' 20' ' ' PHE . . . -48.65 -57.24 8.64 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 53.25 112.471 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.848 HD22 ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -155.3 151.69 28.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 73.319999999999993 110.87 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 5.2 mtp -129.83 123.13 30.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 65.019999999999996 110.882 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 1.034 HG11 HG21 ' B' ' 36' ' ' VAL . 56.7 t -121.1 112.95 37.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 61.420000000000002 111.136 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.19 28.62 34.75 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.743 -0.741 . . . . 64.019999999999996 112.477 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.6 -177.79 16.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 72.430000000000007 112.519 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.574 HG12 ' HG3' ' B' ' 15' ' ' GLN . 7.3 p -149.81 134.84 10.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 72.439999999999998 111.148 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.507 ' C ' HG22 ' H' ' 40' ' ' VAL . 19.2 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 75.010000000000005 111.143 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.836 0.351 . . . . 73.239999999999995 110.815 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 2' ' ' ALA . . . . . 0.426 ' HB1' ' HG2' ' H' ' 5' ' ' ARG . . . -81.79 87.31 6.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 55.039999999999999 111.095 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 3' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' G' ' 3' ' ' GLU . 3.9 mm-40 -49.66 -33.98 17.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 74.209999999999994 110.945 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.95 115.33 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 73.150000000000006 110.844 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 5' ' ' ARG . . . . . 0.426 ' HG2' ' HB1' ' H' ' 2' ' ' ALA . 5.8 mmt85 -107.68 109.58 21.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 73.209999999999994 110.861 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -111.3 113.58 26.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 72.219999999999999 110.847 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -125.15 103.74 8.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 72.510000000000005 110.868 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 8' ' ' SER . . . . . 0.495 ' O ' ' HA ' ' I' ' 8' ' ' SER . 79.7 p -145.95 125.92 13.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 74.549999999999997 110.851 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.12 -20.24 27.07 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 72.409999999999997 112.499 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 10' ' ' TYR . . . . . 0.408 ' HD1' HG23 ' H' ' 12' ' ' VAL . 0.9 OUTLIER -162.07 107.65 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 64.239999999999995 110.946 -179.848 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -105.43 119.71 39.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 62.149999999999999 110.89 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 12' ' ' VAL . . . . . 0.408 HG23 ' HD1' ' H' ' 10' ' ' TYR . 40.7 t -136.83 136.42 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 70.319999999999993 111.148 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -131.76 113.27 13.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 61.310000000000002 110.886 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -115.16 128.99 56.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 64.25 110.862 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 15' ' ' GLN . . . . . 0.529 ' HG3' HG12 ' C' ' 39' ' ' VAL . 0.0 OUTLIER -130.29 134.58 47.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 72.430000000000007 110.919 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' H' H ' 16' ' ' LYS . . . . . 0.633 ' O ' HD22 ' H' ' 17' ' ' LEU . 8.2 tttp -123.5 124.12 42.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.446 . . . . 75.439999999999998 110.911 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.666 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.6 mm? -129.19 101.16 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 71.420000000000002 110.936 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.827 HG12 ' HB2' ' H' ' 21' ' ' ALA . 1.2 t -110.6 115.39 49.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 65.030000000000001 111.091 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.459 ' HE1' HD12 ' H' ' 17' ' ' LEU . 2.9 m-85 -107.9 133.11 52.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 60.140000000000001 110.914 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 20' ' ' PHE . . . . . 0.555 ' HE1' HG22 ' H' ' 31' ' ' ILE . 19.1 m-85 61.12 39.94 15.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 64.420000000000002 110.867 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 21' ' ' ALA . . . . . 0.827 ' HB2' HG12 ' H' ' 18' ' ' VAL . . . -91.02 128.53 36.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 43.530000000000001 111.091 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 52.8 75.65 0.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 75.030000000000001 110.84 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 24' ' ' VAL . . . . . 0.702 HG11 HG23 ' I' ' 24' ' ' VAL . 9.5 p -125.04 138.77 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 62.539999999999999 111.108 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.09 -44.98 94.46 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.772 -0.728 . . . . 53.530000000000001 112.46 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.28 136.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 74.140000000000001 110.815 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -101.82 103.44 14.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 73.109999999999999 110.869 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.97 164.21 13.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 70.400000000000006 110.858 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 29' ' ' GLY . . . . . 0.41 ' HA2' ' HB3' ' C' ' 3' ' ' GLU . . . 50.92 -134.97 31.04 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.705 -0.759 . . . . 34.049999999999997 112.474 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.78 113.8 26.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.748 0.309 . . . . 72.530000000000001 111.074 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.555 HG22 ' HE1' ' H' ' 20' ' ' PHE . 0.5 OUTLIER -127.14 127.39 69.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 73.0 111.118 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' H' H ' 32' ' ' ILE . . . . . 0.41 HG21 ' HG3' ' H' ' 35' ' ' MET . 7.8 mt -131.83 117.37 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 72.219999999999999 111.162 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.57 -57.28 9.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 64.439999999999998 112.449 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.871 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -153.89 149.19 27.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.852 0.358 . . . . 70.329999999999998 110.863 -179.884 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' H' H ' 35' ' ' MET . . . . . 0.41 ' HG3' HG21 ' H' ' 32' ' ' ILE . 6.1 mtp -128.42 122.59 31.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 51.130000000000003 110.897 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 1.001 HG11 HG21 ' C' ' 36' ' ' VAL . 60.0 t -122.51 112.12 33.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.267 -0.424 . . . . 73.420000000000002 111.124 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.21 29.99 30.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.742 . . . . 75.319999999999993 112.472 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.33 -177.98 17.03 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.731 . . . . 34.25 112.5 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.534 HG13 HG23 ' I' ' 39' ' ' VAL . 7.5 p -149.64 132.71 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 64.319999999999993 111.153 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' H' H ' 40' ' ' VAL . . . . . 0.523 ' C ' HG22 ' I' ' 40' ' ' VAL . 18.2 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 62.43 111.136 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.773 0.321 . . . . 64.150000000000006 110.877 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 2' ' ' ALA . . . . . 0.412 ' HB1' ' HG2' ' I' ' 5' ' ' ARG . . . -83.42 92.0 7.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 30.32 111.082 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 3' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' H' ' 3' ' ' GLU . 4.2 mm-40 -49.61 -35.89 22.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 75.340000000000003 110.903 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -169.38 116.27 0.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 71.420000000000002 110.849 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 5' ' ' ARG . . . . . 0.412 ' HG2' ' HB1' ' I' ' 2' ' ' ALA . 5.7 mmt85 -105.7 108.78 20.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 74.340000000000003 110.869 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -110.24 113.27 25.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 74.010000000000005 110.801 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -124.95 103.85 8.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 64.25 110.873 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 8' ' ' SER . . . . . 0.495 ' HA ' ' O ' ' H' ' 8' ' ' SER . 79.4 p -146.79 125.75 12.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 71.530000000000001 110.862 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.66 -20.83 26.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.783 -0.722 . . . . 51.409999999999997 112.507 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 10' ' ' TYR . . . . . 0.401 ' HD1' HG23 ' I' ' 12' ' ' VAL . 0.9 OUTLIER -162.12 108.47 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 74.129999999999995 110.886 -179.844 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -106.43 120.16 41.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 71.25 110.87 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 12' ' ' VAL . . . . . 0.401 HG23 ' HD1' ' I' ' 10' ' ' TYR . 41.1 t -137.13 136.28 47.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 71.049999999999997 111.098 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -130.97 113.4 13.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 71.129999999999995 110.859 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -114.07 130.62 56.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 63.229999999999997 110.866 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 15' ' ' GLN . . . . . 0.449 ' HG3' HG12 ' D' ' 39' ' ' VAL . 0.0 OUTLIER -131.57 133.96 45.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 70.340000000000003 110.921 -179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' I' I ' 16' ' ' LYS . . . . . 0.675 ' O ' HD22 ' I' ' 17' ' ' LEU . 8.3 tttp -122.0 121.54 37.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 74.319999999999993 110.894 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.675 HD22 ' O ' ' I' ' 16' ' ' LYS . 4.6 mm? -130.24 101.06 5.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 71.409999999999997 110.969 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 18' ' ' VAL . . . . . 0.832 HG12 ' HB2' ' I' ' 21' ' ' ALA . 0.7 OUTLIER -111.33 116.82 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 74.209999999999994 111.093 179.867 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' I' I ' 19' ' ' PHE . . . . . 0.481 ' HD2' HD12 ' J' ' 34' ' ' LEU . 2.1 m-85 -107.96 133.24 52.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 73.319999999999993 110.882 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 20' ' ' PHE . . . . . 0.479 ' HE1' HG22 ' I' ' 31' ' ' ILE . 18.1 m-85 59.42 39.31 22.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 73.450000000000003 110.894 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 21' ' ' ALA . . . . . 0.832 ' HB2' HG12 ' I' ' 18' ' ' VAL . . . -90.74 128.37 36.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 50.149999999999999 111.091 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 51.62 73.62 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 74.310000000000002 110.863 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.702 HG23 HG11 ' H' ' 24' ' ' VAL . 8.7 p -119.89 135.92 58.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 73.340000000000003 111.118 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.76 -43.69 91.85 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.749 -0.738 . . . . 63.420000000000002 112.472 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.99 132.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 72.219999999999999 110.849 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -101.39 102.41 13.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 71.409999999999997 110.916 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.63 164.73 12.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.319999999999993 110.877 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.71 -135.58 33.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 74.239999999999995 112.505 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.75 114.64 27.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.756 0.312 . . . . 64.549999999999997 111.145 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.479 HG22 ' HE1' ' I' ' 20' ' ' PHE . 0.5 OUTLIER -129.32 128.2 66.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 74.120000000000005 111.124 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' I' I ' 32' ' ' ILE . . . . . 0.478 HG21 ' HG3' ' I' ' 35' ' ' MET . 7.2 mt -130.42 117.41 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 71.420000000000002 111.111 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.77 -57.72 9.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 74.430000000000007 112.494 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.881 HD22 ' O ' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -152.58 146.3 25.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 72.099999999999994 110.936 -179.897 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' I' I ' 35' ' ' MET . . . . . 0.478 ' HG3' HG21 ' I' ' 32' ' ' ILE . 6.3 mtp -128.62 122.5 31.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 75.329999999999998 110.835 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 1.022 HG21 HG11 ' D' ' 36' ' ' VAL . 57.6 t -125.05 112.89 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 62.420000000000002 111.123 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.36 29.71 31.19 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.701 -0.761 . . . . 60.43 112.513 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.41 -177.6 16.95 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.716 -0.754 . . . . 73.329999999999998 112.467 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 0.534 HG23 HG13 ' H' ' 39' ' ' VAL . 8.6 p -149.69 134.84 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.376 . . . . 74.349999999999994 111.18 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' I' I ' 40' ' ' VAL . . . . . 0.523 HG22 ' C ' ' H' ' 40' ' ' VAL . 18.0 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 53.210000000000001 111.11 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.842 0.353 . . . . 53.130000000000003 110.868 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.08 93.64 7.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 71.439999999999998 111.08 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' J' J ' 3' ' ' GLU . . . . . 0.414 ' O ' ' HA2' ' E' ' 29' ' ' GLY . 3.7 mm-40 -49.5 -40.4 37.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 71.340000000000003 110.859 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -165.91 119.68 1.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 72.230000000000004 110.903 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -100.53 108.07 19.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 73.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -110.78 111.14 22.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 75.230000000000004 110.887 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -123.15 103.29 8.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 60.130000000000003 110.841 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' J' J ' 8' ' ' SER . . . . . 0.485 ' HA ' ' O ' ' I' ' 8' ' ' SER . 79.5 p -148.73 127.17 12.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 73.239999999999995 110.84 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.56 -20.18 37.37 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.739 . . . . 72.140000000000001 112.469 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -162.9 108.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 73.409999999999997 110.925 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -107.58 119.89 40.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 70.230000000000004 110.941 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 38.6 t -137.32 136.71 46.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 61.109999999999999 111.082 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' J' J ' 13' ' ' HIS . . . . . 0.412 ' HB3' HG21 ' E' ' 39' ' ' VAL . 33.4 m170 -129.97 113.43 14.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 73.040000000000006 110.834 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -112.71 131.31 55.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 72.200000000000003 110.842 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.51 137.52 47.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 64.420000000000002 110.893 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 16' ' ' LYS . . . . . 0.707 ' O ' HD22 ' J' ' 17' ' ' LEU . 7.7 tttp -123.29 119.82 31.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 74.439999999999998 110.901 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.707 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.5 mm? -131.62 100.46 5.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 72.140000000000001 110.875 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.786 HG12 ' HB2' ' J' ' 21' ' ' ALA . 0.2 OUTLIER -110.37 121.44 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 64.420000000000002 111.121 179.811 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.459 ' HE1' HD12 ' J' ' 17' ' ' LEU . 1.7 m-85 -111.3 132.26 54.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 75.400000000000006 110.909 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 20' ' ' PHE . . . . . 0.416 ' HE1' HG22 ' J' ' 31' ' ' ILE . 19.7 m-85 57.53 38.08 27.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 73.310000000000002 110.859 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 21' ' ' ALA . . . . . 0.786 ' HB2' HG12 ' J' ' 18' ' ' VAL . . . -90.75 129.86 36.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 51.329999999999998 111.136 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 50.82 74.52 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 62.229999999999997 110.901 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.681 HG23 HG11 ' I' ' 24' ' ' VAL . 7.7 p -119.11 135.03 60.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 64.340000000000003 111.076 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.52 -41.63 97.29 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 74.200000000000003 112.513 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.59 127.13 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.864 0.364 . . . . 74.439999999999998 110.867 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 27' ' ' ASN . . . . . 0.404 ' OD1' HG21 ' J' ' 24' ' ' VAL . 76.0 m-20 -101.38 99.93 10.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 72.420000000000002 110.882 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.87 168.84 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 74.200000000000003 110.903 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.19 -135.66 35.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 60.420000000000002 112.436 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 0.425 ' HB2' ' CD1' ' E' ' 4' ' ' PHE . . . -94.12 114.1 26.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.764 0.316 . . . . 72.099999999999994 111.09 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.416 HG22 ' HE1' ' J' ' 20' ' ' PHE . 0.6 OUTLIER -128.26 127.37 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 73.450000000000003 111.078 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' J' J ' 32' ' ' ILE . . . . . 0.532 HG21 ' HG3' ' J' ' 35' ' ' MET . 7.3 mt -126.18 115.2 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 73.019999999999996 111.099 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 33' ' ' GLY . . . . . 0.489 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -49.49 -55.61 12.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.688 -0.768 . . . . 74.230000000000004 112.542 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.823 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -152.85 149.25 28.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 72.450000000000003 110.888 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' J' J ' 35' ' ' MET . . . . . 0.532 ' HG3' HG21 ' J' ' 32' ' ' ILE . 7.4 mtp -132.29 121.49 23.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 75.340000000000003 110.849 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.997 HG11 HG21 ' E' ' 36' ' ' VAL . 57.8 t -128.92 110.99 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 63.119999999999997 111.13 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.62 29.39 24.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.731 . . . . 61.329999999999998 112.452 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.98 -177.0 17.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.772 -0.728 . . . . 51.020000000000003 112.451 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.505 HG21 ' HB3' ' E' ' 13' ' ' HIS . 9.2 p -149.01 136.33 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 64.430000000000007 111.119 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.504 HG22 ' C ' ' I' ' 40' ' ' VAL . 18.5 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 64.140000000000001 111.128 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.791 0.329 . . . . 74.409999999999997 110.869 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.41 72.33 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 62.509999999999998 111.071 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -52.0 -32.14 32.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 75.5 110.824 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.614 ' CE2' ' HB2' ' F' ' 30' ' ' ALA . 0.2 OUTLIER -158.59 113.0 2.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 64.420000000000002 110.891 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.42 107.28 6.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 75.109999999999999 110.925 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -108.02 123.93 49.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 75.430000000000007 110.841 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -126.16 100.47 6.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 54.25 110.902 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.2 t -149.33 176.36 10.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 60.140000000000001 110.876 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.4 -12.24 29.36 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.729 -0.748 . . . . 72.150000000000006 112.464 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.38 113.04 0.28 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.851 0.358 . . . . 72.319999999999993 110.939 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -106.49 124.82 50.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 73.340000000000003 110.883 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -136.78 113.94 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 72.140000000000001 111.116 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -121.82 117.08 25.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 73.329999999999998 110.887 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.416 ' CD2' ' HB2' ' B' ' 14' ' ' HIS . 6.2 m80 -126.25 129.91 49.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 53.329999999999998 110.815 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -132.36 135.14 45.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 72.099999999999994 110.912 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -124.38 125.76 44.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 65.329999999999998 110.855 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.604 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.4 mm? -120.59 101.73 7.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 53.43 110.906 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.549 HG12 ' HB2' ' A' ' 21' ' ' ALA . 2.1 t -112.46 115.61 50.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 63.539999999999999 111.098 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.539 ' HE1' HD12 ' A' ' 17' ' ' LEU . 5.0 m-85 -103.91 142.13 34.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 73.329999999999998 110.915 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.644 ' HE1' HG22 ' A' ' 31' ' ' ILE . 24.2 m-85 62.97 33.84 14.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 74.5 110.942 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.549 ' HB2' HG12 ' A' ' 18' ' ' VAL . . . -89.47 134.24 34.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 63.200000000000003 111.121 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 61.83 76.7 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 73.120000000000005 110.877 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.2 p -146.1 145.02 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 71.310000000000002 111.115 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.19 -46.24 94.89 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 61.509999999999998 112.503 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.5 152.18 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 62.149999999999999 110.905 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.79 99.73 9.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 74.450000000000003 110.928 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.93 151.68 38.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 65.450000000000003 110.936 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.55 -125.55 26.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.808 -0.71 . . . . 53.140000000000001 112.474 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.643 ' HB2' ' CE2' ' F' ' 4' ' ' PHE . . . -102.81 113.75 27.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.756 0.312 . . . . 74.329999999999998 111.139 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.928 HD13 HG23 ' B' ' 31' ' ' ILE . 0.1 OUTLIER -132.67 125.75 53.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 74.140000000000001 111.145 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.0 mt -130.91 119.96 46.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 71.109999999999999 111.126 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.99 -57.12 15.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.751 . . . . 73.349999999999994 112.475 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.874 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -156.29 149.37 24.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 74.349999999999994 110.913 -179.895 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.93 129.4 49.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 71.439999999999998 110.86 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.803 HG21 HG11 ' F' ' 36' ' ' VAL . 11.0 t -118.43 110.17 29.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 73.409999999999997 111.084 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.65 -55.07 4.69 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 45.329999999999998 112.491 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.55 162.21 54.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.776 -0.726 . . . . 53.200000000000003 112.473 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.815 ' C ' HG21 ' B' ' 39' ' ' VAL . 7.6 p -156.51 143.69 10.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.842 0.353 . . . . 74.319999999999993 111.1 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.6 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 71.019999999999996 111.135 179.901 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 . . . . . 0 C--O 1.23 0.029 0 CA-C-O 120.825 0.345 . . . . 74.540000000000006 110.895 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 2' ' ' ALA . . . . . 0.427 ' HA ' ' HB3' ' C' ' 2' ' ' ALA . . . -114.83 72.67 0.8 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 54.450000000000003 111.078 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -49.79 -30.52 9.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 65.319999999999993 110.891 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.616 ' CE2' ' HB2' ' G' ' 30' ' ' ALA . 0.2 OUTLIER -158.45 111.91 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 74.010000000000005 110.924 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.97 106.88 7.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.010000000000005 110.902 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -108.18 124.36 50.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 74.319999999999993 110.858 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -128.94 99.83 5.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 65.140000000000001 110.909 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 16.2 t -147.34 175.88 10.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 70.25 110.876 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.21 -12.48 31.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 63.229999999999997 112.459 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.65 111.77 0.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.87 0.366 . . . . 64.549999999999997 110.943 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -104.92 124.17 49.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.501 . . . . 74.129999999999995 110.907 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 t -134.47 114.07 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 72.450000000000003 111.17 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 59.2 m170 -120.97 119.59 32.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 62.329999999999998 110.868 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 14' ' ' HIS . . . . . 0.416 ' HB2' ' CD2' ' A' ' 14' ' ' HIS . 6.3 m80 -125.82 132.79 52.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 73.25 110.842 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -130.84 133.03 45.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 65.519999999999996 110.911 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.561 ' O ' HD22 ' B' ' 17' ' ' LEU . 5.5 tttp -122.78 126.49 47.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 74.530000000000001 110.918 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.604 HD13 ' HB2' ' A' ' 17' ' ' LEU . 4.6 mm? -127.83 100.57 5.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 74.239999999999995 110.865 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.762 HG12 ' HB2' ' B' ' 21' ' ' ALA . 1.9 t -112.64 118.83 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 62.32 111.141 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.472 ' HE1' HD12 ' B' ' 17' ' ' LEU . 2.1 m-85 -108.96 138.01 45.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 75.549999999999997 110.897 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.634 ' HE1' HG22 ' B' ' 31' ' ' ILE . 27.8 m-85 63.85 30.58 14.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 75.5 110.898 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.762 ' HB2' HG12 ' B' ' 18' ' ' VAL . . . -88.66 133.32 34.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 71.310000000000002 111.073 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.97 76.41 0.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 61.219999999999999 110.813 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.41 ' CG1' HG23 ' C' ' 24' ' ' VAL . 11.5 p -145.82 143.85 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 75.230000000000004 111.095 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.5 -45.5 95.45 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.783 -0.722 . . . . 55.520000000000003 112.496 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.82 151.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.367 . . . . 73.349999999999994 110.855 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.79 100.21 9.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 75.25 110.86 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.77 151.73 38.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 63.409999999999997 110.909 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.22 -125.38 24.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 44.420000000000002 112.455 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.679 ' O ' HD12 ' A' ' 31' ' ' ILE . . . -102.94 113.12 26.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.742 0.305 . . . . 61.210000000000001 111.099 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.928 HG23 HD13 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -132.26 123.47 50.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 52.43 111.13 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 mt -129.74 119.96 48.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 72.030000000000001 111.138 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.03 -59.11 9.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 54.340000000000003 112.491 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.903 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -153.06 147.52 25.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 72.140000000000001 110.955 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.528 ' CE ' HG23 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -127.03 123.22 36.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 63.130000000000003 110.856 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.896 HG21 HG11 ' G' ' 36' ' ' VAL . 6.7 t -117.9 111.66 35.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 74.519999999999996 111.091 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.4 -58.94 4.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.788 -0.72 . . . . 72.219999999999999 112.486 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.7 157.23 45.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 70.430000000000007 112.523 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.825 ' C ' HG21 ' C' ' 39' ' ' VAL . 8.5 p -158.09 144.99 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.383 . . . . 70.25 111.138 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.531 ' N ' HG21 ' C' ' 39' ' ' VAL . 13.2 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 73.140000000000001 111.113 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.853 0.359 . . . . 75.299999999999997 110.837 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 2' ' ' ALA . . . . . 0.427 ' HB3' ' HA ' ' B' ' 2' ' ' ALA . . . -114.64 72.32 0.78 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 64.549999999999997 111.129 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 3' ' ' GLU . . . . . 0.401 ' HG2' ' HA3' ' I' ' 29' ' ' GLY . 1.7 mp0 -50.31 -30.66 12.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 61.439999999999998 110.871 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 4' ' ' PHE . . . . . 0.606 ' CE2' ' HB2' ' H' ' 30' ' ' ALA . 0.2 OUTLIER -158.42 112.21 2.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 73.239999999999995 110.837 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.93 106.98 8.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 65.310000000000002 110.882 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -109.11 122.97 48.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 63.119999999999997 110.872 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -128.71 100.13 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 74.299999999999997 110.9 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 16.4 t -147.41 175.62 10.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 60.399999999999999 110.836 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.52 -12.07 31.67 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.764 -0.731 . . . . 73.349999999999994 112.524 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.58 111.4 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 74.420000000000002 110.937 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -105.47 123.81 48.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 65.310000000000002 110.867 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 t -133.19 113.91 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 73.340000000000003 111.108 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 58.6 m170 -120.85 118.03 28.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 71.209999999999994 110.872 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -124.27 134.04 53.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 62.140000000000001 110.852 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -130.21 132.97 46.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 73.129999999999995 110.906 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.659 ' O ' HD22 ' C' ' 17' ' ' LEU . 5.6 tttp -121.57 125.16 46.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 74.329999999999998 110.945 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.659 HD22 ' O ' ' C' ' 16' ' ' LYS . 4.6 mm? -130.51 100.47 5.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 65.200000000000003 110.885 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.773 HG12 ' HB2' ' C' ' 21' ' ' ALA . 1.4 t -113.8 119.76 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.219999999999999 111.088 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.449 ' HE1' HD12 ' C' ' 17' ' ' LEU . 1.4 m-85 -109.97 137.17 48.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 72.030000000000001 110.904 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.593 ' HE1' HG22 ' C' ' 31' ' ' ILE . 25.2 m-85 63.16 29.96 16.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 65.129999999999995 110.887 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 0.773 ' HB2' HG12 ' C' ' 18' ' ' VAL . . . -88.94 135.27 33.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 75.200000000000003 111.057 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 58.54 77.04 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 73.439999999999998 110.895 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.468 ' CG1' HG23 ' D' ' 24' ' ' VAL . 11.8 p -144.93 143.18 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 45.229999999999997 111.141 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.9 -45.59 94.85 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.737 . . . . 63.039999999999999 112.509 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.96 150.21 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.907 0.384 . . . . 63.43 110.826 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.43 99.94 9.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 71.430000000000007 110.885 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.4 152.25 37.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 65.239999999999995 110.889 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.45 -125.68 23.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 53.210000000000001 112.494 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.713 ' O ' HD12 ' B' ' 31' ' ' ILE . . . -103.41 113.12 26.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.694 0.283 . . . . 72.450000000000003 111.114 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.901 HG23 HD13 ' B' ' 31' ' ' ILE . 0.1 OUTLIER -132.3 123.32 50.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 71.129999999999995 111.155 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 mt -129.09 119.67 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 75.530000000000001 111.115 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.9 -59.55 8.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 75.329999999999998 112.518 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.918 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -152.61 146.17 24.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.821 0.343 . . . . 62.43 110.876 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.731 ' CE ' HG23 ' C' ' 39' ' ' VAL . 0.0 OUTLIER -127.74 122.36 32.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 52.109999999999999 110.924 179.836 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.928 HG11 HG21 ' H' ' 36' ' ' VAL . 5.7 t -118.93 110.43 29.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 72.150000000000006 111.14 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.84 -58.26 3.88 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 70.430000000000007 112.509 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.24 158.61 46.07 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.742 . . . . 45.329999999999998 112.535 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.825 HG21 ' C ' ' B' ' 39' ' ' VAL . 7.7 p -163.36 149.33 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 65.230000000000004 111.097 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.613 ' N ' HG21 ' D' ' 39' ' ' VAL . 9.7 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 63.119999999999997 111.113 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.848 0.356 . . . . 75.200000000000003 110.904 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.48 72.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 52.43 111.061 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 3' ' ' GLU . . . . . 0.407 ' HG2' ' HA3' ' J' ' 29' ' ' GLY . 1.7 mp0 -51.02 -30.12 14.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 73.409999999999997 110.915 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 4' ' ' PHE . . . . . 0.591 ' CE2' ' HB2' ' I' ' 30' ' ' ALA . 0.2 OUTLIER -158.9 112.28 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 75.299999999999997 110.866 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.48 107.37 9.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 64.25 110.914 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -109.21 121.29 44.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 72.549999999999997 110.882 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -127.92 100.25 5.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 74.409999999999997 110.892 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 15.9 t -147.5 175.3 10.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 52.25 110.844 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.09 -11.51 31.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.742 . . . . 60.210000000000001 112.507 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.32 111.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.852 0.358 . . . . 74.519999999999996 110.928 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -105.39 124.69 49.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 74.450000000000003 110.841 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.87 114.12 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 71.340000000000003 111.089 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -121.65 118.0 28.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 75.239999999999995 110.851 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -124.84 135.41 52.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 72.510000000000005 110.854 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -130.42 133.04 46.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 55.450000000000003 110.845 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 16' ' ' LYS . . . . . 0.683 ' O ' HD22 ' D' ' 17' ' ' LEU . 5.4 tttp -120.72 121.71 38.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 75.140000000000001 110.896 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.683 HD22 ' O ' ' D' ' 16' ' ' LYS . 4.5 mm? -131.0 99.81 5.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 72.140000000000001 110.921 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.775 HG12 ' HB2' ' D' ' 21' ' ' ALA . 0.7 OUTLIER -113.67 121.67 66.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.219999999999999 111.147 179.859 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.451 ' N ' ' CD1' ' D' ' 19' ' ' PHE . 1.0 OUTLIER -111.64 137.73 49.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 71.120000000000005 110.87 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.569 ' HE1' HG22 ' D' ' 31' ' ' ILE . 20.3 m-85 61.45 28.52 17.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 71.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 21' ' ' ALA . . . . . 0.775 ' HB2' HG12 ' D' ' 18' ' ' VAL . . . -89.63 136.83 32.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 63.340000000000003 111.076 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 56.56 78.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.430000000000007 110.908 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.47 ' CG1' HG23 ' E' ' 24' ' ' VAL . 11.4 p -145.6 141.74 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 72.540000000000006 111.08 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.09 -44.62 94.63 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 64.019999999999996 112.485 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.6 148.46 0.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.898 0.38 . . . . 52.5 110.858 -179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -104.22 99.43 9.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 60.539999999999999 110.875 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.28 153.12 36.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 72.230000000000004 110.918 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.23 -126.53 22.92 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.67 -0.776 . . . . 42.329999999999998 112.501 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.715 ' O ' HD12 ' C' ' 31' ' ' ILE . . . -103.65 112.83 25.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.765 0.317 . . . . 72.319999999999993 111.135 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.655 HG23 HD13 ' C' ' 31' ' ' ILE . 0.2 OUTLIER -133.97 123.29 44.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 72.420000000000002 111.12 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.442 HD13 ' SD ' ' D' ' 35' ' ' MET . 6.6 mt -128.11 119.77 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 62.210000000000001 111.146 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.0 -61.46 6.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 64.040000000000006 112.483 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.917 HD22 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -151.31 144.22 24.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.778 0.323 . . . . 63.340000000000003 110.948 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.758 ' CE ' HG23 ' D' ' 39' ' ' VAL . 0.0 OUTLIER -128.94 123.37 32.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 75.200000000000003 110.839 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.945 HG11 HG21 ' I' ' 36' ' ' VAL . 6.7 t -121.78 109.14 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 65.319999999999993 111.143 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.9 -59.16 3.49 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 72.329999999999998 112.461 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.55 159.59 48.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 70.530000000000001 112.492 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.788 HG21 ' C ' ' C' ' 39' ' ' VAL . 8.7 p -165.86 153.62 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.37 . . . . 74.420000000000002 111.099 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.567 ' N ' HG21 ' E' ' 39' ' ' VAL . 9.0 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 75.040000000000006 111.167 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.815 0.341 . . . . 74.120000000000005 110.849 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.65 72.35 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 62.420000000000002 111.146 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -51.32 -29.75 16.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 43.420000000000002 110.864 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 4' ' ' PHE . . . . . 0.531 ' CE2' ' HB2' ' J' ' 30' ' ' ALA . 0.3 OUTLIER -158.81 114.34 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 55.049999999999997 110.898 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.17 107.52 9.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 72.400000000000006 110.848 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -109.36 120.54 42.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 72.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -128.44 99.95 5.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 73.310000000000002 110.816 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 16.3 t -148.49 172.71 14.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 73.099999999999994 110.823 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.09 -11.77 35.92 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 75.219999999999999 112.481 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.38 110.43 0.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.87 0.367 . . . . 75.329999999999998 110.931 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -105.24 125.95 51.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 52.130000000000003 110.917 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.33 118.04 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 61.539999999999999 111.08 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -120.39 118.85 31.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 73.540000000000006 110.882 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -122.46 135.71 54.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 72.439999999999998 110.868 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -133.69 134.61 43.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 74.310000000000002 110.906 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 16' ' ' LYS . . . . . 0.711 ' O ' HD22 ' E' ' 17' ' ' LEU . 4.7 tttp -122.77 120.5 33.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 70.329999999999998 110.887 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.711 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.3 mm? -133.09 99.88 4.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 61.450000000000003 110.885 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.732 HG12 ' HB2' ' E' ' 21' ' ' ALA . 0.2 OUTLIER -112.96 124.3 69.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 70.209999999999994 111.07 179.847 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.466 ' HE1' HD12 ' E' ' 17' ' ' LEU . 0.8 OUTLIER -114.92 136.5 53.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 63.310000000000002 110.884 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.489 ' HE1' HG22 ' E' ' 31' ' ' ILE . 21.7 m-85 58.88 28.21 17.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 55.329999999999998 110.862 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 21' ' ' ALA . . . . . 0.732 ' HB2' HG12 ' E' ' 18' ' ' VAL . . . -92.17 138.77 31.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 72.5 111.058 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 55.33 78.4 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 62.340000000000003 110.842 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.47 HG23 ' CG1' ' D' ' 24' ' ' VAL . 11.4 p -145.82 139.63 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 73.129999999999995 111.115 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.9 -43.9 92.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.754 . . . . 74.120000000000005 112.505 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 26' ' ' SER . . . . . 0.401 ' H ' HG22 ' E' ' 24' ' ' VAL . 0.6 OUTLIER -179.89 145.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.88 0.371 . . . . 62.409999999999997 110.887 -179.744 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -103.68 99.04 8.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 74.109999999999999 110.872 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 28' ' ' LYS . . . . . 0.465 ' C ' HD11 ' E' ' 31' ' ' ILE . 0.4 OUTLIER -121.44 154.05 37.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 74.5 110.898 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.79 -127.51 22.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.714 -0.755 . . . . 51.299999999999997 112.509 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.596 ' O ' HD12 ' D' ' 31' ' ' ILE . . . -104.0 112.63 25.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.758 0.313 . . . . 60.149999999999999 111.067 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.489 HG22 ' HE1' ' E' ' 20' ' ' PHE . 0.4 OUTLIER -135.32 124.14 40.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 75.439999999999998 111.144 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.474 HD13 ' SD ' ' E' ' 35' ' ' MET . 7.7 mt -126.57 120.02 55.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 72.439999999999998 111.143 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.26 -59.39 8.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 25.239999999999998 112.518 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.842 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -151.67 146.45 25.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.342 . . . . 73.140000000000001 110.901 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.624 ' CE ' HG23 ' E' ' 39' ' ' VAL . 0.2 OUTLIER -137.12 122.7 19.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 70.219999999999999 110.846 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.894 HG11 HG21 ' J' ' 36' ' ' VAL . 16.1 t -125.68 108.27 19.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 73.209999999999994 111.164 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.84 -59.24 3.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 75.340000000000003 112.489 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.71 160.24 46.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 73.099999999999994 112.462 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.72 HG11 ' O ' ' D' ' 39' ' ' VAL . 12.6 p -165.82 151.96 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.342 . . . . 71.519999999999996 111.149 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 75.519999999999996 111.1 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.813 0.339 . . . . 62.210000000000001 110.841 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.64 72.91 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.409999999999997 111.108 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -51.85 -32.3 31.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 74.219999999999999 110.919 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 4' ' ' PHE . . . . . 0.643 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -157.74 114.12 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 74.349999999999994 110.837 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.6 107.52 6.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 74.510000000000005 110.878 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -107.35 123.13 47.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 70.409999999999997 110.872 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -124.63 100.97 6.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 62.420000000000002 110.872 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 16.8 t -150.16 176.33 10.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 74.140000000000001 110.854 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.61 -12.22 27.01 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.754 -0.736 . . . . 73.140000000000001 112.481 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.43 111.8 0.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.88 0.371 . . . . 73.540000000000006 110.89 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -106.07 123.8 48.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.502 . . . . 62.020000000000003 110.902 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -137.89 112.9 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 53.409999999999997 111.117 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 64.9 m170 -121.72 120.36 34.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 73.450000000000003 110.84 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 14' ' ' HIS . . . . . 0.431 ' CD2' ' HB2' ' G' ' 14' ' ' HIS . 6.3 m80 -126.2 129.35 48.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 63.310000000000002 110.861 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -130.59 134.56 47.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 64.400000000000006 110.903 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -124.38 124.97 43.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 71.239999999999995 110.885 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.596 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.3 mm? -119.8 101.61 8.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.433 . . . . 74.420000000000002 110.935 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.54 HG12 ' HB2' ' F' ' 21' ' ' ALA . 2.1 t -112.42 115.49 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 72.549999999999997 111.112 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.534 ' HE1' HD12 ' F' ' 17' ' ' LEU . 5.1 m-85 -103.12 142.13 34.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 73.040000000000006 110.897 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 20' ' ' PHE . . . . . 0.67 ' HE1' HG22 ' F' ' 31' ' ' ILE . 23.9 m-85 63.09 33.73 14.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 74.420000000000002 110.909 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 21' ' ' ALA . . . . . 0.54 ' HB2' HG12 ' F' ' 18' ' ' VAL . . . -89.33 135.11 33.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 73.409999999999997 111.066 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 62.05 76.34 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 61.210000000000001 110.913 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 11.6 p -146.43 144.23 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 72.510000000000005 111.138 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.82 -45.96 95.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 63.240000000000002 112.49 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.17 151.28 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.368 . . . . 70.230000000000004 110.911 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.46 99.2 9.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 42.329999999999998 110.914 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -120.12 151.51 38.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 74.219999999999999 110.863 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.35 -126.77 25.82 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.75 -0.738 . . . . 71.439999999999998 112.542 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.614 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . . . -102.54 114.04 27.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.767 0.318 . . . . 64.439999999999998 111.09 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.925 HD13 HG23 ' G' ' 31' ' ' ILE . 0.1 OUTLIER -132.48 126.36 55.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 41.149999999999999 111.157 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 mt -130.3 119.34 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 71.329999999999998 111.128 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 33' ' ' GLY . . . . . 0.403 ' N ' ' CZ ' ' F' ' 20' ' ' PHE . . . -52.8 -58.33 11.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 61.299999999999997 112.496 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.86 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -155.81 149.22 24.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.841 0.353 . . . . 62.530000000000001 110.902 -179.883 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -125.36 128.16 47.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 73.310000000000002 110.893 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.803 HG11 HG21 ' A' ' 36' ' ' VAL . 15.5 t -117.94 110.36 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 72.519999999999996 111.158 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.67 -55.73 4.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 54.219999999999999 112.542 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.39 157.69 49.83 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.713 -0.756 . . . . 55.549999999999997 112.525 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.807 ' C ' HG21 ' G' ' 39' ' ' VAL . 11.1 p -156.8 141.78 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.35 . . . . 71.230000000000004 111.115 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.425 ' N ' HG21 ' G' ' 39' ' ' VAL . 11.0 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 70.519999999999996 111.074 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.826 0.345 . . . . 74.540000000000006 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' G' G ' 2' ' ' ALA . . . . . 0.417 ' HA ' ' HB3' ' H' ' 2' ' ' ALA . . . -114.33 73.2 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 73.230000000000004 111.133 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -50.64 -30.79 14.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 75.25 110.859 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 4' ' ' PHE . . . . . 0.63 ' CE2' ' HB2' ' B' ' 30' ' ' ALA . 0.2 OUTLIER -157.67 112.7 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 54.340000000000003 110.924 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.92 106.85 7.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 74.209999999999994 110.864 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -107.77 122.95 47.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 70.109999999999999 110.811 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -127.26 99.96 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 73.140000000000001 110.874 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 8' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' H' ' 8' ' ' SER . 16.6 t -147.92 176.08 10.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 74.510000000000005 110.852 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.6 -13.16 28.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 52.329999999999998 112.492 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.9 111.29 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.373 . . . . 74.129999999999995 110.9 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -105.18 124.19 49.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 72.120000000000005 110.89 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -135.28 113.43 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 64.310000000000002 111.118 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -120.24 120.27 35.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 73.109999999999999 110.876 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 14' ' ' HIS . . . . . 0.431 ' HB2' ' CD2' ' F' ' 14' ' ' HIS . 6.6 m80 -123.78 132.88 53.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 74.099999999999994 110.882 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -129.94 132.82 46.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 60.409999999999997 110.906 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 16' ' ' LYS . . . . . 0.573 ' O ' HD22 ' G' ' 17' ' ' LEU . 5.4 tttp -123.28 126.3 46.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 73.439999999999998 110.937 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.596 HD13 ' HB2' ' F' ' 17' ' ' LEU . 4.5 mm? -127.94 100.55 5.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 70.329999999999998 110.924 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.782 HG12 ' HB2' ' G' ' 21' ' ' ALA . 1.9 t -112.73 118.87 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 74.239999999999995 111.102 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.477 ' HE1' HD12 ' G' ' 17' ' ' LEU . 2.1 m-85 -108.73 137.82 46.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 74.329999999999998 110.935 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 0.631 ' HE1' HG22 ' G' ' 31' ' ' ILE . 27.5 m-85 64.02 30.87 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 74.409999999999997 110.891 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 21' ' ' ALA . . . . . 0.782 ' HB2' HG12 ' G' ' 18' ' ' VAL . . . -88.81 134.34 33.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 62.310000000000002 111.103 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.75 76.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 62.310000000000002 110.884 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 11.3 p -146.08 143.44 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 73.439999999999998 111.131 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.9 -45.12 96.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.744 . . . . 44.549999999999997 112.473 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.21 151.38 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.913 0.387 . . . . 50.240000000000002 110.851 -179.699 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.97 99.76 9.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 73.129999999999995 110.869 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -119.84 152.42 37.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 73.549999999999997 110.914 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.43 -125.87 24.29 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.783 -0.723 . . . . 42.409999999999997 112.445 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.677 ' O ' HD12 ' F' ' 31' ' ' ILE . . . -103.11 113.19 26.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.779 0.323 . . . . 61.549999999999997 111.123 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.925 HG23 HD13 ' F' ' 31' ' ' ILE . 0.1 OUTLIER -131.88 123.47 51.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 72.109999999999999 111.137 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 mt -129.46 119.42 48.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 72.099999999999994 111.1 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.82 -60.31 7.63 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 45.329999999999998 112.485 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.893 HD22 ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -152.22 147.93 26.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.76 0.314 . . . . 73.340000000000003 110.955 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.566 ' CE ' HG23 ' G' ' 39' ' ' VAL . 0.0 OUTLIER -126.95 122.2 33.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 74.209999999999994 110.886 179.849 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.896 HG11 HG21 ' B' ' 36' ' ' VAL . 14.0 t -117.94 111.68 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 70.510000000000005 111.107 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.1 -57.1 4.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 75.540000000000006 112.487 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.52 154.59 38.48 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 72.450000000000003 112.442 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.834 ' C ' HG21 ' H' ' 39' ' ' VAL . 9.2 p -157.81 144.39 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 75.040000000000006 111.083 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.558 ' N ' HG21 ' H' ' 39' ' ' VAL . 8.9 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 72.019999999999996 111.13 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.832 0.349 . . . . 72.439999999999998 110.878 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' H' H ' 2' ' ' ALA . . . . . 0.417 ' HB3' ' HA ' ' G' ' 2' ' ' ALA . . . -114.44 73.37 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 71.209999999999994 111.071 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -50.27 -31.09 13.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 73.209999999999994 110.905 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 4' ' ' PHE . . . . . 0.616 ' CE2' ' HB2' ' C' ' 30' ' ' ALA . 0.2 OUTLIER -158.0 112.58 2.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 71.239999999999995 110.912 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.52 107.01 8.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 73.230000000000004 110.881 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -108.84 121.78 45.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 72.329999999999998 110.864 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -128.17 99.89 5.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 53.149999999999999 110.901 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 8' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' G' ' 8' ' ' SER . 16.4 t -147.01 175.62 10.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 54.100000000000001 110.883 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.86 -12.66 31.58 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.754 -0.736 . . . . 61.420000000000002 112.484 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.75 111.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 74.299999999999997 110.962 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -105.55 124.0 48.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 51.310000000000002 110.898 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 t -134.49 113.51 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 74.319999999999993 111.134 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -120.51 118.71 30.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 75.239999999999995 110.864 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -122.81 135.6 54.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 73.329999999999998 110.897 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -130.82 132.52 45.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 72.109999999999999 110.933 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 16' ' ' LYS . . . . . 0.655 ' O ' HD22 ' H' ' 17' ' ' LEU . 5.6 tttp -121.7 124.18 43.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 63.310000000000002 110.901 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.655 HD22 ' O ' ' H' ' 16' ' ' LYS . 4.6 mm? -130.13 100.41 5.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 72.439999999999998 110.919 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.779 HG12 ' HB2' ' H' ' 21' ' ' ALA . 1.4 t -114.07 119.49 61.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 72.329999999999998 111.073 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.458 ' HE1' HD12 ' H' ' 17' ' ' LEU . 1.4 m-85 -109.37 137.03 47.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 73.319999999999993 110.89 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 20' ' ' PHE . . . . . 0.598 ' HE1' HG22 ' H' ' 31' ' ' ILE . 25.4 m-85 63.22 30.31 15.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 70.310000000000002 110.879 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 21' ' ' ALA . . . . . 0.779 ' HB2' HG12 ' H' ' 18' ' ' VAL . . . -89.06 135.36 33.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 72.25 111.102 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 58.78 77.68 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 55.409999999999997 110.904 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 24' ' ' VAL . . . . . 0.44 ' CG1' HG23 ' I' ' 24' ' ' VAL . 11.6 p -145.81 143.25 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 75.239999999999995 111.107 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.33 -45.48 95.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.749 . . . . 71.129999999999995 112.454 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.45 149.9 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 64.239999999999995 110.864 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.52 99.43 9.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 75.530000000000001 110.958 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -119.53 152.22 37.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 64.329999999999998 110.882 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.15 -126.3 22.82 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.725 -0.75 . . . . 63.509999999999998 112.492 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 30' ' ' ALA . . . . . 0.699 ' O ' HD12 ' G' ' 31' ' ' ILE . . . -103.18 112.97 26.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.741 0.305 . . . . 50.439999999999998 111.098 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.872 HG23 HD13 ' G' ' 31' ' ' ILE . 0.1 OUTLIER -132.22 123.62 50.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 50.509999999999998 111.109 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 mt -129.27 119.43 48.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 70.310000000000002 111.17 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.93 -60.12 7.92 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 73.040000000000006 112.502 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.91 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -152.0 146.06 25.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 75.230000000000004 110.874 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' H' H ' 35' ' ' MET . . . . . 0.709 ' CE ' HG23 ' H' ' 39' ' ' VAL . 0.0 OUTLIER -127.43 122.51 33.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 72.219999999999999 110.845 179.86 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.928 HG21 HG11 ' C' ' 36' ' ' VAL . 12.1 t -119.45 111.12 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 51.229999999999997 111.124 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.48 -58.55 3.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.736 . . . . 65.420000000000002 112.475 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.26 157.86 45.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 73.319999999999993 112.5 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.834 HG21 ' C ' ' G' ' 39' ' ' VAL . 7.7 p -162.38 147.46 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 63.109999999999999 111.066 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' H' H ' 40' ' ' VAL . . . . . 0.633 ' N ' HG21 ' I' ' 39' ' ' VAL . 10.2 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 75.200000000000003 111.128 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.792 0.329 . . . . 73.129999999999995 110.852 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.44 72.71 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 74.150000000000006 111.045 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -51.34 -30.51 18.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 54.399999999999999 110.84 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 4' ' ' PHE . . . . . 0.589 ' CE2' ' HB2' ' D' ' 30' ' ' ALA . 0.2 OUTLIER -158.74 112.8 2.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 74.310000000000002 110.902 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.02 107.56 9.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 72.519999999999996 110.875 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -108.91 120.57 42.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 70.409999999999997 110.84 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -128.31 100.09 5.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 74.329999999999998 110.885 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 16.6 t -147.17 175.14 10.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 71.430000000000007 110.885 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.45 -11.87 32.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 64.340000000000003 112.5 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.55 111.05 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.803 0.335 . . . . 72.230000000000004 110.938 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -104.86 125.24 50.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 74.519999999999996 110.861 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 22.0 t -134.65 114.26 17.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 73.430000000000007 111.105 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -121.47 118.64 29.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 73.510000000000005 110.854 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -123.94 135.71 53.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 71.349999999999994 110.872 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -130.61 132.81 45.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 72.439999999999998 110.972 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 16' ' ' LYS . . . . . 0.696 ' O ' HD22 ' I' ' 17' ' ' LEU . 5.4 tttp -120.86 121.64 38.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 73.549999999999997 110.931 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.696 HD22 ' O ' ' I' ' 16' ' ' LYS . 4.5 mm? -131.27 99.66 4.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.438 . . . . 72.310000000000002 110.893 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' I' I ' 18' ' ' VAL . . . . . 0.765 HG12 ' HB2' ' I' ' 21' ' ' ALA . 0.7 OUTLIER -113.75 122.05 67.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 74.030000000000001 111.133 179.837 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' I' I ' 19' ' ' PHE . . . . . 0.441 ' HE1' HD12 ' I' ' 17' ' ' LEU . 1.0 OUTLIER -111.43 137.81 48.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 74.530000000000001 110.863 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' I' I ' 20' ' ' PHE . . . . . 0.588 ' HE1' HG22 ' I' ' 31' ' ' ILE . 21.0 m-85 61.26 28.64 18.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 64.120000000000005 110.923 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' I' I ' 21' ' ' ALA . . . . . 0.765 ' HB2' HG12 ' I' ' 18' ' ' VAL . . . -89.5 136.54 32.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 61.240000000000002 111.134 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 57.14 77.88 0.25 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 75.409999999999997 110.887 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.461 ' CG1' HG23 ' J' ' 24' ' ' VAL . 11.2 p -145.48 142.2 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 62.140000000000001 111.09 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.85 -44.62 95.87 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.752 -0.737 . . . . 72.349999999999994 112.481 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.42 148.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.38 . . . . 75.219999999999999 110.859 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -104.35 99.21 8.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 72.409999999999997 110.94 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -120.43 152.28 38.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 73.030000000000001 110.909 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 29' ' ' GLY . . . . . 0.401 ' HA3' ' HG2' ' C' ' 3' ' ' GLU . . . 69.45 -126.55 19.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 75.319999999999993 112.508 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.718 ' O ' HD12 ' H' ' 31' ' ' ILE . . . -103.61 112.72 25.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.778 0.323 . . . . 65.200000000000003 111.107 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.666 HG23 HD13 ' H' ' 31' ' ' ILE . 0.2 OUTLIER -134.51 124.11 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 73.209999999999994 111.125 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' I' I ' 32' ' ' ILE . . . . . 0.425 HD13 ' SD ' ' I' ' 35' ' ' MET . 6.8 mt -128.86 120.27 51.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 70.310000000000002 111.13 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.3 -61.92 5.86 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 63.5 112.449 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.927 HD22 ' O ' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -150.92 144.15 24.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.803 0.335 . . . . 72.420000000000002 110.922 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' I' I ' 35' ' ' MET . . . . . 0.758 ' CE ' HG23 ' I' ' 39' ' ' VAL . 0.0 OUTLIER -128.35 123.38 33.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 72.129999999999995 110.869 179.829 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.945 HG21 HG11 ' D' ' 36' ' ' VAL . 11.9 t -122.7 109.73 24.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 72.230000000000004 111.118 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.44 -59.34 3.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 71.010000000000005 112.462 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.44 159.68 46.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 45.310000000000002 112.46 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 0.785 HG21 ' C ' ' H' ' 39' ' ' VAL . 8.1 p -165.56 153.17 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 71.040000000000006 111.156 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' I' I ' 40' ' ' VAL . . . . . 0.573 ' N ' HG21 ' J' ' 39' ' ' VAL . 9.0 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 73.450000000000003 111.171 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.843 0.354 . . . . 70.219999999999999 110.858 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.46 73.57 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 61.149999999999999 111.136 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -50.84 -30.74 15.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 65.519999999999996 110.879 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' J' J ' 4' ' ' PHE . . . . . 0.552 ' CE2' ' HB2' ' E' ' 30' ' ' ALA . 0.2 OUTLIER -159.15 114.67 2.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 72.510000000000005 110.915 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.45 107.8 9.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 71.439999999999998 110.88 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -108.9 119.72 40.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 75.450000000000003 110.859 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -128.72 100.03 5.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 71.450000000000003 110.87 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 16.4 t -148.23 172.2 14.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 70.129999999999995 110.861 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.44 -11.65 37.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 71.340000000000003 112.487 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.47 109.68 0.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.36 . . . . 65.209999999999994 110.917 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -104.65 124.91 50.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 73.099999999999994 110.876 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 22.0 t -133.07 116.54 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 71.299999999999997 111.115 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -120.32 118.59 30.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 71.230000000000004 110.869 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -122.19 136.11 54.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 75.340000000000003 110.838 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -132.35 135.34 46.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 65.109999999999999 110.9 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' J' J ' 16' ' ' LYS . . . . . 0.726 ' O ' HD22 ' J' ' 17' ' ' LEU . 4.5 tttp -122.56 120.14 32.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 61.130000000000003 110.941 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.726 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.3 mm? -133.13 99.74 4.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 73.120000000000005 110.908 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.717 HG12 ' HB2' ' J' ' 21' ' ' ALA . 0.2 OUTLIER -113.14 124.24 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 54.009999999999998 111.123 179.835 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' J' ' 19' ' ' PHE . 0.8 OUTLIER -114.34 136.43 52.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 65.0 110.863 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' J' J ' 20' ' ' PHE . . . . . 0.478 ' HE1' HG22 ' J' ' 31' ' ' ILE . 22.0 m-85 59.03 28.31 17.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 71.109999999999999 110.901 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' J' J ' 21' ' ' ALA . . . . . 0.717 ' HB2' HG12 ' J' ' 18' ' ' VAL . . . -91.56 139.05 31.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 71.439999999999998 111.099 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 54.82 78.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 52.030000000000001 110.842 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.461 HG23 ' CG1' ' I' ' 24' ' ' VAL . 11.2 p -145.63 139.82 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 75.219999999999999 111.069 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.32 -44.3 93.48 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.719 -0.753 . . . . 63.439999999999998 112.488 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.79 145.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.371 . . . . 73.140000000000001 110.845 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -103.33 98.77 8.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 75.219999999999999 110.889 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' J' J ' 28' ' ' LYS . . . . . 0.484 ' C ' HD11 ' J' ' 31' ' ' ILE . 1.1 tptp -121.34 153.08 38.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 73.319999999999993 110.907 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' J' J ' 29' ' ' GLY . . . . . 0.407 ' HA3' ' HG2' ' D' ' 3' ' ' GLU . . . 70.07 -127.57 18.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.76 -0.733 . . . . 71.150000000000006 112.514 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 0.601 ' O ' HD12 ' I' ' 31' ' ' ILE . . . -104.04 112.52 25.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.319 . . . . 51.200000000000003 111.069 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.484 HD11 ' C ' ' J' ' 28' ' ' LYS . 0.5 OUTLIER -135.82 125.45 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 75.420000000000002 111.084 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' J' J ' 32' ' ' ILE . . . . . 0.466 HD13 ' SD ' ' J' ' 35' ' ' MET . 7.9 mt -127.32 120.29 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 52.0 111.149 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.58 -60.04 8.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.751 . . . . 63.200000000000003 112.514 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.857 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -150.88 146.36 26.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.806 0.336 . . . . 74.129999999999995 110.924 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' J' J ' 35' ' ' MET . . . . . 0.653 ' CE ' HG23 ' J' ' 39' ' ' VAL . 0.2 OUTLIER -136.74 122.79 20.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.140000000000001 110.892 179.802 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.894 HG21 HG11 ' E' ' 36' ' ' VAL . 18.8 t -126.69 108.65 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 71.409999999999997 111.145 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.79 -58.9 3.46 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 62.210000000000001 112.452 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.64 160.67 45.55 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 71.450000000000003 112.496 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.724 HG11 ' O ' ' I' ' 39' ' ' VAL . 11.2 p -166.71 153.36 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.873 0.368 . . . . 60.109999999999999 111.132 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 75.030000000000001 111.144 179.916 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.825 0.345 . . . . 64.150000000000006 110.891 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.18 89.38 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 62.119999999999997 111.101 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.55 -38.47 84.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 74.299999999999997 110.904 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.631 ' CE1' ' HB2' ' F' ' 30' ' ' ALA . 7.9 m-85 -142.17 112.37 7.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 71.430000000000007 110.904 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -135.73 107.63 7.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 72.129999999999995 110.867 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -107.39 119.71 40.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 73.549999999999997 110.866 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -116.46 100.96 8.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 71.310000000000002 110.885 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.8 m -154.07 177.34 11.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.409999999999997 110.836 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.96 -32.9 5.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 52.210000000000001 112.531 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -144.43 128.73 17.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 73.299999999999997 110.941 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -111.8 117.76 33.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 73.319999999999993 110.87 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.2 t -131.91 113.8 23.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 72.299999999999997 111.117 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -115.13 113.31 23.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 70.340000000000003 110.876 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -124.71 121.4 34.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 75.040000000000006 110.892 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' GLN . . . . . 0.699 ' OE1' HG23 ' F' ' 39' ' ' VAL . 0.0 OUTLIER -117.11 132.94 56.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 73.019999999999996 110.9 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' C ' HD22 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -132.11 116.12 16.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 75.219999999999999 110.91 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.636 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.4 mm? -123.05 109.02 13.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 73.420000000000002 110.907 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . 0.517 ' CG1' ' HB2' ' A' ' 21' ' ' ALA . 87.9 t -108.61 112.66 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 45.329999999999998 111.108 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.594 ' CE1' HD12 ' A' ' 17' ' ' LEU . 9.2 m-85 -111.0 106.44 15.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 72.409999999999997 110.9 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.412 ' CD1' ' HA2' ' A' ' 33' ' ' GLY . 8.7 m-85 62.01 80.26 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 74.409999999999997 110.9 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ALA . . . . . 0.517 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . . . -112.43 135.36 53.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 71.209999999999994 111.138 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 54.62 73.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 75.439999999999998 110.866 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.55 HG13 HG23 ' B' ' 24' ' ' VAL . 4.1 p -112.26 144.41 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 74.540000000000006 111.146 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.67 -49.06 45.89 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.704 -0.76 . . . . 53.240000000000002 112.468 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -160.98 133.07 5.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.373 . . . . 74.209999999999994 110.83 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -102.82 101.51 11.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 71.510000000000005 110.877 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -113.91 166.7 11.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 55.130000000000003 110.932 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.11 -130.62 47.52 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.695 -0.764 . . . . 53.240000000000002 112.504 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.67 ' HB2' ' CE1' ' F' ' 4' ' ' PHE . . . -109.91 111.66 23.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.342 . . . . 74.129999999999995 111.09 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.75 HG13 HG22 ' B' ' 31' ' ' ILE . 0.0 OUTLIER -122.29 115.18 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 71.150000000000006 111.146 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -130.99 122.61 52.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 75.140000000000001 111.118 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLY . . . . . 0.412 ' HA2' ' CD1' ' A' ' 20' ' ' PHE . . . -52.41 -49.99 49.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 53.340000000000003 112.514 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.816 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -165.42 148.86 8.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 75.140000000000001 110.913 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 35' ' ' MET . . . . . 0.423 ' HG3' ' HB3' ' B' ' 35' ' ' MET . 3.8 ttp -132.2 123.85 27.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.239999999999995 110.903 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.796 HG21 HG11 ' F' ' 36' ' ' VAL . 91.3 t -143.71 110.93 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 61.119999999999997 111.13 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.54 -10.94 67.6 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 32.240000000000002 112.47 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.59 159.94 13.48 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 73.349999999999994 112.434 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.692 HG23 ' OE1' ' F' ' 15' ' ' GLN . 92.2 t -131.81 142.45 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.859 0.362 . . . . 72.549999999999997 111.102 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.447 ' C ' HG22 ' B' ' 40' ' ' VAL . 23.2 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 74.109999999999999 111.123 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.857 0.361 . . . . 72.420000000000002 110.883 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.63 89.37 2.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 75.400000000000006 111.089 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.15 -37.74 81.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 73.010000000000005 110.92 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.595 ' CE1' ' HB2' ' G' ' 30' ' ' ALA . 9.7 m-85 -143.35 111.11 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 74.349999999999994 110.831 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -131.57 107.7 9.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 73.099999999999994 110.873 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -110.6 118.35 35.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 71.329999999999998 110.85 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -115.65 101.33 8.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 73.109999999999999 110.9 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' C' ' 8' ' ' SER . 25.4 m -152.26 176.82 11.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 72.420000000000002 110.858 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.49 -32.91 5.83 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.791 -0.719 . . . . 75.129999999999995 112.49 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -144.56 128.14 17.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.815 0.34 . . . . 71.450000000000003 110.922 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -109.05 117.45 34.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 62.409999999999997 110.918 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.4 t -128.91 113.78 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 52.43 111.1 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -116.72 113.07 22.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 63.009999999999998 110.851 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -123.83 123.48 40.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 74.329999999999998 110.847 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 15' ' ' GLN . . . . . 0.455 ' HG3' HG21 ' H' ' 39' ' ' VAL . 0.0 OUTLIER -117.57 132.55 56.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 73.349999999999994 110.907 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 16' ' ' LYS . . . . . 0.438 ' C ' HD22 ' B' ' 17' ' ' LEU . 1.0 OUTLIER -127.94 116.32 19.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 74.019999999999996 110.886 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.731 ' HB2' HD13 ' C' ' 17' ' ' LEU . 4.4 mm? -124.32 105.08 9.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 35.420000000000002 110.876 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 18' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' B' ' 21' ' ' ALA . 94.4 t -107.8 112.06 38.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 72.120000000000005 111.11 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.639 ' CE1' HD12 ' B' ' 17' ' ' LEU . 6.7 m-85 -111.3 104.0 12.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 73.420000000000002 110.851 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 61.44 79.89 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 73.549999999999997 110.862 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 21' ' ' ALA . . . . . 0.466 ' HB2' ' CG1' ' B' ' 18' ' ' VAL . . . -109.5 133.39 53.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 64.310000000000002 111.104 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 56.35 73.68 0.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 74.040000000000006 110.887 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.597 HG13 HG23 ' C' ' 24' ' ' VAL . 2.8 p -111.42 143.78 20.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 71.450000000000003 111.1 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.03 -47.13 39.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 45.219999999999999 112.48 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -160.97 131.74 5.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 74.420000000000002 110.877 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 27' ' ' ASN . . . . . 0.56 HD22 HG21 ' B' ' 31' ' ' ILE . 20.3 m120 -102.22 100.38 10.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 65.299999999999997 110.91 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -114.1 169.53 8.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 70.200000000000003 110.867 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.87 -129.05 38.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 74.450000000000003 112.479 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.613 ' HB2' ' CE1' ' G' ' 4' ' ' PHE . . . -109.16 112.29 24.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.766 0.317 . . . . 63.219999999999999 111.097 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.859 HG13 HG22 ' C' ' 31' ' ' ILE . 0.0 OUTLIER -118.76 113.83 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 64.129999999999995 111.134 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -130.63 122.07 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 64.319999999999993 111.108 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.98 -46.38 93.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 60.240000000000002 112.507 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.89 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -163.98 147.36 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 64.109999999999999 110.874 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.423 ' HB3' ' HG3' ' A' ' 35' ' ' MET . 3.6 ttp -132.75 123.08 25.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 73.340000000000003 110.868 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.761 HG21 HG11 ' G' ' 36' ' ' VAL . 89.8 t -147.74 110.44 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 74.439999999999998 111.138 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.05 -8.78 71.97 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.764 -0.731 . . . . 61.509999999999998 112.487 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.12 158.35 14.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 75.230000000000004 112.479 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.59 ' O ' HG13 ' C' ' 39' ' ' VAL . 78.0 t -133.87 139.09 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.368 . . . . 64.310000000000002 111.139 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.457 ' C ' HG22 ' C' ' 40' ' ' VAL . 22.8 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 74.439999999999998 111.084 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.802 0.334 . . . . 72.230000000000004 110.869 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.74 89.06 2.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 73.120000000000005 111.139 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.8 -38.03 80.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 75.209999999999994 110.843 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 4' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' H' ' 30' ' ' ALA . 11.4 m-85 -143.3 110.55 5.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 71.25 110.889 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -128.21 107.74 10.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 70.239999999999995 110.929 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -112.21 117.45 32.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 64.209999999999994 110.888 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -115.07 101.75 9.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 70.209999999999994 110.856 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 8' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' B' ' 8' ' ' SER . 24.2 m -153.15 176.04 12.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 71.219999999999999 110.894 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.19 -32.41 5.83 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 31.420000000000002 112.478 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -144.91 127.77 16.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.894 0.378 . . . . 74.530000000000001 110.921 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -107.12 118.23 36.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.09 -0.505 . . . . 74.420000000000002 110.884 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 43.0 t -127.5 113.35 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 73.109999999999999 111.099 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -117.67 113.26 21.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 75.349999999999994 110.875 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -124.75 123.73 40.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 71.420000000000002 110.888 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 15' ' ' GLN . . . . . 0.496 ' OE1' HG23 ' H' ' 39' ' ' VAL . 0.0 OUTLIER -118.95 131.89 56.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 74.340000000000003 110.952 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.489 ' C ' HD22 ' C' ' 17' ' ' LEU . 1.0 OUTLIER -124.67 116.44 22.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 73.340000000000003 110.883 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.731 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.5 mm? -125.32 103.14 7.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.284 -0.416 . . . . 74.129999999999995 110.935 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 18' ' ' VAL . . . . . 0.45 ' CG1' ' HB2' ' C' ' 21' ' ' ALA . 97.4 t -107.47 112.37 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 55.509999999999998 111.16 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.555 ' CE1' HD12 ' C' ' 17' ' ' LEU . 5.3 m-30 -108.78 101.12 10.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 73.109999999999999 110.909 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.407 ' CD1' ' HA2' ' C' ' 33' ' ' GLY . 9.4 m-85 60.01 82.69 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 63.229999999999997 110.892 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 21' ' ' ALA . . . . . 0.45 ' HB2' ' CG1' ' C' ' 18' ' ' VAL . . . -110.19 133.81 52.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 73.120000000000005 111.119 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 56.88 74.02 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 75.239999999999995 110.9 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.597 HG23 HG13 ' B' ' 24' ' ' VAL . 3.0 p -111.34 144.12 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 75.120000000000005 111.14 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.3 -46.62 40.85 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.747 . . . . 64.349999999999994 112.462 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -160.89 131.36 5.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.912 0.387 . . . . 75.010000000000005 110.878 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.599 HD22 HG21 ' C' ' 31' ' ' ILE . 18.9 m120 -102.25 100.12 10.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 75.409999999999997 110.906 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -114.75 170.2 8.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 73.019999999999996 110.925 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.09 -129.35 39.36 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.702 -0.761 . . . . 74.400000000000006 112.53 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.614 ' HB2' ' CE1' ' H' ' 4' ' ' PHE . . . -107.4 111.9 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 71.239999999999995 111.072 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.88 HG13 HG22 ' D' ' 31' ' ' ILE . 0.0 OUTLIER -116.67 111.49 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 73.340000000000003 111.119 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -128.87 122.01 55.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 62.329999999999998 111.139 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 33' ' ' GLY . . . . . 0.407 ' HA2' ' CD1' ' C' ' 20' ' ' PHE . . . -61.54 -46.7 93.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 73.120000000000005 112.456 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.924 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -161.46 146.11 13.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.833 0.349 . . . . 72.329999999999998 110.92 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 4.0 ttp -131.66 122.0 25.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 73.409999999999997 110.838 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.645 HG13 ' O ' ' B' ' 36' ' ' VAL . 84.8 t -150.17 109.88 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 54.130000000000003 111.149 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.17 -8.12 72.23 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.703 -0.76 . . . . 65.140000000000001 112.477 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.49 156.67 15.44 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 63.310000000000002 112.491 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.602 ' O ' HG13 ' D' ' 39' ' ' VAL . 78.9 t -134.17 138.29 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.359 . . . . 74.319999999999993 111.116 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.457 HG22 ' C ' ' B' ' 40' ' ' VAL . 24.1 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 64.439999999999998 111.15 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.852 0.358 . . . . 65.150000000000006 110.862 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.12 89.14 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 54.119999999999997 111.13 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.91 -38.61 82.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 74.299999999999997 110.909 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 4' ' ' PHE . . . . . 0.604 ' CZ ' ' HB2' ' I' ' 30' ' ' ALA . 11.5 m-85 -143.31 110.74 5.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 71.400000000000006 110.908 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -125.96 108.41 11.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 63.130000000000003 110.851 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -114.21 116.85 29.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 72.230000000000004 110.889 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -114.14 102.32 10.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 63.119999999999997 110.847 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 8' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' C' ' 8' ' ' SER . 25.8 m -155.02 175.07 14.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.099999999999994 110.87 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.86 -31.71 5.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 60.43 112.467 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -145.23 128.6 16.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.896 0.379 . . . . 74.310000000000002 110.936 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -106.52 119.77 40.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.499 . . . . 73.230000000000004 110.86 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 43.3 t -126.86 112.62 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 72.109999999999999 111.133 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -117.96 113.41 21.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 70.340000000000003 110.838 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -123.97 123.09 39.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 72.310000000000002 110.882 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 15' ' ' GLN . . . . . 0.493 ' OE1' HG23 ' I' ' 39' ' ' VAL . 0.0 OUTLIER -118.7 132.19 56.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 72.349999999999994 110.946 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 16' ' ' LYS . . . . . 0.57 ' O ' HD22 ' D' ' 17' ' ' LEU . 0.9 OUTLIER -123.81 117.07 24.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 42.130000000000003 110.903 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.721 HD13 ' HB2' ' C' ' 17' ' ' LEU . 4.5 mm? -128.85 101.31 6.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 75.109999999999999 110.922 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 18' ' ' VAL . . . . . 0.49 ' CG1' ' HB2' ' D' ' 21' ' ' ALA . 89.2 t -105.92 113.99 44.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 75.129999999999995 111.109 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.518 ' HE1' HD12 ' D' ' 17' ' ' LEU . 4.7 m-30 -107.54 99.44 8.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 75.510000000000005 110.887 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.406 ' CD1' ' HA2' ' D' ' 33' ' ' GLY . 7.9 m-85 59.81 83.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 71.25 110.918 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 21' ' ' ALA . . . . . 0.49 ' HB2' ' CG1' ' D' ' 18' ' ' VAL . . . -110.64 134.59 52.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 73.109999999999999 111.118 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 56.9 74.19 0.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 74.120000000000005 110.911 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.538 HG23 HG13 ' C' ' 24' ' ' VAL . 2.8 p -112.28 143.51 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 74.019999999999996 111.103 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.9 -46.15 38.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.805 -0.712 . . . . 71.25 112.454 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -160.6 131.82 5.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.861 0.362 . . . . 74.230000000000004 110.854 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 27' ' ' ASN . . . . . 0.642 HD22 HG21 ' D' ' 31' ' ' ILE . 19.0 m120 -102.5 99.61 9.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 71.140000000000001 110.86 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -114.7 170.96 7.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 74.319999999999993 110.884 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.86 -129.13 38.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.775 -0.726 . . . . 64.200000000000003 112.465 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.628 ' HB2' ' CE1' ' I' ' 4' ' ' PHE . . . -106.73 111.87 24.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.714 0.292 . . . . 70.120000000000005 111.109 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.88 HG22 HG13 ' C' ' 31' ' ' ILE . 0.0 OUTLIER -114.65 110.44 32.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 72.299999999999997 111.138 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -127.92 121.18 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 74.439999999999998 111.095 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 33' ' ' GLY . . . . . 0.406 ' HA2' ' CD1' ' D' ' 20' ' ' PHE . . . -63.0 -45.79 94.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 54.539999999999999 112.47 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.926 HD22 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -160.49 145.44 14.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.766 0.317 . . . . 74.519999999999996 110.932 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 4.9 ttp -132.11 120.94 22.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 63.409999999999997 110.898 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.637 HG13 ' O ' ' C' ' 36' ' ' VAL . 92.8 t -150.98 109.15 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 65.230000000000004 111.133 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.92 -6.97 72.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 70.049999999999997 112.51 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.79 155.29 16.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.702 -0.761 . . . . 45.340000000000003 112.511 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.602 HG13 ' O ' ' C' ' 39' ' ' VAL . 77.1 t -135.31 138.03 49.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.904 0.383 . . . . 72.329999999999998 111.103 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 71.010000000000005 111.122 179.897 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.86 0.362 . . . . 72.319999999999993 110.847 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.28 88.76 2.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 55.310000000000002 111.119 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 3' ' ' GLU . . . . . 0.409 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . 1.7 mp0 -60.41 -35.71 76.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 63.5 110.868 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 4' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' J' ' 30' ' ' ALA . 13.6 m-85 -144.75 112.74 6.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 73.209999999999994 110.852 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -126.28 105.35 8.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 73.129999999999995 110.895 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -114.86 115.29 26.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 75.140000000000001 110.838 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -111.37 100.89 9.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 71.439999999999998 110.915 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 25.7 m -154.9 170.72 21.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 53.119999999999997 110.833 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.5 -29.99 7.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 75.109999999999999 112.437 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -146.66 128.72 15.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.362 . . . . 71.150000000000006 110.924 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -106.8 119.99 40.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 72.120000000000005 110.893 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 43.5 t -124.71 113.61 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 63.340000000000003 111.097 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -118.61 112.67 20.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 64.5 110.887 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -123.01 124.39 43.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 75.430000000000007 110.875 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 15' ' ' GLN . . . . . 0.585 ' OE1' HG23 ' J' ' 39' ' ' VAL . 0.0 OUTLIER -120.6 134.43 55.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 72.420000000000002 110.95 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' E' E ' 16' ' ' LYS . . . . . 0.564 ' O ' HD22 ' E' ' 17' ' ' LEU . 0.8 OUTLIER -123.44 116.14 22.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 72.030000000000001 110.91 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.629 HD13 ' HB2' ' D' ' 17' ' ' LEU . 4.3 mm? -129.27 103.76 7.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 75.030000000000001 110.946 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 18' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' E' ' 21' ' ' ALA . 92.3 t -105.92 115.06 46.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 61.119999999999997 111.096 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.582 ' HE1' HD12 ' E' ' 17' ' ' LEU . 4.8 m-30 -107.79 96.11 6.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 74.209999999999994 110.849 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.404 ' CD1' ' HA2' ' E' ' 33' ' ' GLY . 7.1 m-85 60.39 82.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 63.409999999999997 110.882 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 21' ' ' ALA . . . . . 0.481 ' HB2' ' CG1' ' E' ' 18' ' ' VAL . . . -107.79 134.77 50.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 24.539999999999999 111.132 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 54.73 74.69 0.34 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 74.319999999999993 110.897 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.604 HG11 HD22 ' E' ' 27' ' ' ASN . 3.3 p -110.32 142.97 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 63.520000000000003 111.099 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.94 -45.28 27.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 71.040000000000006 112.501 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.2 m -161.03 132.37 5.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.905 0.384 . . . . 73.129999999999995 110.808 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 27' ' ' ASN . . . . . 0.604 HD22 HG11 ' E' ' 24' ' ' VAL . 75.3 m-20 -101.72 99.29 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 64.219999999999999 110.919 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -114.85 170.21 8.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 73.230000000000004 110.927 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.91 -130.82 40.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.764 -0.731 . . . . 71.329999999999998 112.458 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.601 ' HB2' ' CZ ' ' J' ' 4' ' ' PHE . . . -104.12 113.49 27.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.739 0.304 . . . . 75.299999999999997 111.053 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.749 HG22 HG13 ' D' ' 31' ' ' ILE . 0.0 OUTLIER -111.58 111.99 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 63.340000000000003 111.116 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -130.04 113.69 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 74.549999999999997 111.112 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 33' ' ' GLY . . . . . 0.404 ' HA2' ' CD1' ' E' ' 20' ' ' PHE . . . -61.04 -40.23 98.22 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.74 -0.743 . . . . 55.530000000000001 112.509 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.841 HD22 ' O ' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -163.01 145.44 10.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.796 0.331 . . . . 64.140000000000001 110.923 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.8 ttp -134.51 120.88 20.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 73.019999999999996 110.906 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.618 HG13 ' O ' ' D' ' 36' ' ' VAL . 96.6 t -151.46 108.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 62.530000000000001 111.12 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.76 -4.01 66.99 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 50.299999999999997 112.466 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.26 155.16 16.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 75.049999999999997 112.528 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.618 HG23 ' OE1' ' J' ' 15' ' ' GLN . 69.7 t -135.42 139.41 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 64.209999999999994 111.117 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 50.310000000000002 111.123 179.919 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 . . . . . 0 CA--C 1.526 0.051 0 CA-C-O 120.857 0.361 . . . . 75.129999999999995 110.837 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.33 88.46 2.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 74.219999999999999 111.119 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.21 -39.09 85.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 51.210000000000001 110.844 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 4' ' ' PHE . . . . . 0.67 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 4.9 m-85 -142.9 112.89 7.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 74.030000000000001 110.844 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -135.52 108.29 7.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 71.349999999999994 110.867 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -108.32 118.45 36.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 54.310000000000002 110.869 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -115.17 101.41 8.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 75.519999999999996 110.857 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 27.9 m -154.02 176.81 11.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 72.019999999999996 110.833 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.89 -32.84 6.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.703 -0.761 . . . . 73.099999999999994 112.477 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -144.69 129.03 17.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 72.299999999999997 110.957 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -111.19 117.85 34.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 74.120000000000005 110.896 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -131.55 114.02 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 72.140000000000001 111.166 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -114.9 113.48 24.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 74.340000000000003 110.855 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -125.39 120.59 31.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 64.310000000000002 110.826 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 15' ' ' GLN . . . . . 0.692 ' OE1' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -117.25 132.66 56.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 75.239999999999995 110.871 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' F' F ' 16' ' ' LYS . . . . . 0.418 ' C ' HD22 ' F' ' 17' ' ' LEU . 0.9 OUTLIER -132.54 115.82 15.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 74.230000000000004 110.885 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.661 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.3 mm? -123.2 109.1 13.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 61.039999999999999 110.925 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 18' ' ' VAL . . . . . 0.524 ' CG1' ' HB2' ' F' ' 21' ' ' ALA . 86.1 t -108.55 112.99 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 64.239999999999995 111.092 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.526 ' CE1' HD12 ' F' ' 17' ' ' LEU . 9.4 m-85 -111.02 106.43 15.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 75.319999999999993 110.865 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 20' ' ' PHE . . . . . 0.408 ' CD1' ' HA2' ' F' ' 33' ' ' GLY . 8.3 m-85 62.08 80.3 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 74.430000000000007 110.892 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 21' ' ' ALA . . . . . 0.524 ' HB2' ' CG1' ' F' ' 18' ' ' VAL . . . -112.59 135.49 53.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 62.329999999999998 111.053 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 54.84 73.28 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 71.219999999999999 110.841 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.562 HG13 HG23 ' G' ' 24' ' ' VAL . 4.2 p -112.75 144.48 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 72.349999999999994 111.102 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.83 -49.04 44.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 54.340000000000003 112.505 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.0 m -160.92 133.01 5.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.357 . . . . 63.420000000000002 110.905 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -102.9 100.74 10.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 71.219999999999999 110.865 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -114.28 167.7 10.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 73.25 110.864 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.23 -130.69 47.86 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.681 -0.771 . . . . 42.539999999999999 112.539 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.631 ' HB2' ' CE1' ' A' ' 4' ' ' PHE . . . -109.45 111.56 23.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.774 0.321 . . . . 64.200000000000003 111.098 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.801 HG13 HG22 ' G' ' 31' ' ' ILE . 0.0 OUTLIER -123.05 115.15 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 71.450000000000003 111.173 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mt -131.58 121.85 48.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 64.140000000000001 111.127 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 33' ' ' GLY . . . . . 0.408 ' HA2' ' CD1' ' F' ' 20' ' ' PHE . . . -51.38 -50.32 41.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 51.420000000000002 112.498 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.813 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -165.77 148.91 7.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.848 0.356 . . . . 74.030000000000001 110.873 -179.891 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' F' F ' 35' ' ' MET . . . . . 0.403 ' HG3' ' HB3' ' G' ' 35' ' ' MET . 3.5 ttp -132.18 124.5 29.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 65.310000000000002 110.877 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.796 HG11 HG21 ' A' ' 36' ' ' VAL . 84.6 t -144.51 111.04 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 72.319999999999993 111.108 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.97 -10.37 68.55 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.722 -0.751 . . . . 54.210000000000001 112.527 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -112.04 158.06 14.55 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.708 -0.758 . . . . 50.350000000000001 112.453 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.699 HG23 ' OE1' ' A' ' 15' ' ' GLN . 92.9 t -133.89 143.14 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 71.439999999999998 111.108 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.536 ' HA ' HG22 ' G' ' 40' ' ' VAL . 24.7 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 75.340000000000003 111.154 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.855 0.36 . . . . 64.040000000000006 110.91 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.11 88.65 2.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 72.030000000000001 111.098 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.72 -39.84 86.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 51.100000000000001 110.906 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 4' ' ' PHE . . . . . 0.613 ' CE1' ' HB2' ' B' ' 30' ' ' ALA . 7.3 m-85 -145.26 112.06 5.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 73.109999999999999 110.876 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -131.55 108.26 9.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 74.129999999999995 110.886 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -110.24 117.87 34.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 72.329999999999998 110.848 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -115.12 101.69 9.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 75.450000000000003 110.861 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 26.2 m -152.64 176.22 11.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 71.310000000000002 110.864 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.88 -33.39 5.82 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 63.200000000000003 112.507 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -144.58 128.53 17.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.372 . . . . 74.299999999999997 110.878 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -108.26 117.53 34.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 74.129999999999995 110.875 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 43.9 t -128.21 113.85 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 75.109999999999999 111.105 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -116.8 113.67 22.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 65.150000000000006 110.852 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -125.62 122.44 36.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 65.030000000000001 110.85 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 15' ' ' GLN . . . . . 0.425 ' OE1' HG23 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -117.27 132.51 56.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 61.25 110.928 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' G' G ' 16' ' ' LYS . . . . . 0.434 ' C ' HD22 ' G' ' 17' ' ' LEU . 1.0 OUTLIER -127.94 116.42 20.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 74.150000000000006 110.885 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.74 ' HB2' HD13 ' H' ' 17' ' ' LEU . 4.4 mm? -124.53 104.75 8.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 72.239999999999995 110.9 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' G' G ' 18' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' G' ' 21' ' ' ALA . 93.5 t -107.33 112.02 38.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 63.340000000000003 111.128 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.644 ' CE1' HD12 ' G' ' 17' ' ' LEU . 7.1 m-85 -110.98 103.12 11.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 62.210000000000001 110.86 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 61.74 80.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 75.420000000000002 110.878 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 21' ' ' ALA . . . . . 0.464 ' HB2' ' CG1' ' G' ' 18' ' ' VAL . . . -109.99 133.78 52.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 72.239999999999995 111.137 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 56.28 73.79 0.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 64.150000000000006 110.853 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.586 HG13 HG23 ' H' ' 24' ' ' VAL . 2.8 p -111.73 144.1 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 42.420000000000002 111.108 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.35 -47.32 36.51 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 75.109999999999999 112.473 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -160.64 131.56 5.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.914 0.388 . . . . 71.239999999999995 110.827 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 27' ' ' ASN . . . . . 0.538 HD22 HG21 ' G' ' 31' ' ' ILE . 20.6 m120 -102.12 99.9 10.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 75.450000000000003 110.934 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -114.16 170.87 7.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 73.340000000000003 110.917 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.45 -128.22 35.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.744 . . . . 63.399999999999999 112.518 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.624 ' HB3' ' CE1' ' A' ' 4' ' ' PHE . . . -110.3 112.63 24.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.738 0.304 . . . . 52.509999999999998 111.062 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.87 HG13 HG22 ' H' ' 31' ' ' ILE . 0.0 OUTLIER -119.02 113.54 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 72.25 111.115 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -130.42 121.08 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 63.200000000000003 111.124 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.27 -46.82 92.39 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 73.299999999999997 112.454 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.898 HD22 ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -163.92 147.1 9.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.343 . . . . 72.310000000000002 110.935 -179.889 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.403 ' HB3' ' HG3' ' F' ' 35' ' ' MET . 3.7 ttp -132.54 122.75 25.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 62.240000000000002 110.867 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.761 HG11 HG21 ' B' ' 36' ' ' VAL . 97.3 t -147.65 110.4 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 74.430000000000007 111.072 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.93 -8.7 71.9 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.746 -0.74 . . . . 55.409999999999997 112.466 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.18 156.9 15.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 35.43 112.506 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.632 HG13 ' O ' ' F' ' 39' ' ' VAL . 63.5 t -134.78 139.58 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.886 0.374 . . . . 71.549999999999997 111.102 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.536 HG22 ' HA ' ' F' ' 40' ' ' VAL . 27.2 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 75.349999999999994 111.115 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.839 0.352 . . . . 61.310000000000002 110.844 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.02 89.18 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 71.340000000000003 111.136 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.11 -39.65 82.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 71.239999999999995 110.911 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 4' ' ' PHE . . . . . 0.614 ' CE1' ' HB2' ' C' ' 30' ' ' ALA . 8.5 m-85 -144.5 112.02 6.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 74.049999999999997 110.863 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -128.99 108.08 10.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.150000000000006 110.868 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -111.3 116.28 30.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 72.049999999999997 110.86 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -113.6 101.92 9.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 73.420000000000002 110.854 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 24.5 m -153.58 175.79 12.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 71.519999999999996 110.871 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.14 -32.47 5.82 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.732 -0.747 . . . . 72.209999999999994 112.466 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -144.85 128.55 17.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.833 0.349 . . . . 74.200000000000003 110.918 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -107.18 118.22 36.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 71.219999999999999 110.865 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 43.4 t -126.53 113.35 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 73.219999999999999 111.16 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -117.81 113.36 21.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 75.409999999999997 110.869 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -125.75 123.03 37.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 64.209999999999994 110.869 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 15' ' ' GLN . . . . . 0.518 ' OE1' HG23 ' C' ' 39' ' ' VAL . 0.0 OUTLIER -118.79 131.89 56.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 71.5 110.92 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' H' H ' 16' ' ' LYS . . . . . 0.475 ' C ' HD22 ' H' ' 17' ' ' LEU . 1.0 OUTLIER -124.87 116.29 22.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 71.439999999999998 110.921 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.74 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.5 mm? -125.6 102.95 7.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 43.119999999999997 110.902 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 18' ' ' VAL . . . . . 0.46 ' CG1' ' HB2' ' H' ' 21' ' ' ALA . 96.0 t -107.08 112.97 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 73.310000000000002 111.155 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.548 ' CE1' HD12 ' H' ' 17' ' ' LEU . 5.6 m-30 -109.24 100.98 10.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 65.230000000000004 110.866 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 60.21 82.42 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 74.439999999999998 110.883 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 21' ' ' ALA . . . . . 0.46 ' HB2' ' CG1' ' H' ' 18' ' ' VAL . . . -109.93 134.03 52.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 62.100000000000001 111.112 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 56.86 73.81 0.44 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.232 -0.44 . . . . 74.409999999999997 110.842 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 24' ' ' VAL . . . . . 0.586 HG23 HG13 ' G' ' 24' ' ' VAL . 3.1 p -111.26 144.15 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 72.329999999999998 111.129 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.76 -47.22 34.15 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.784 -0.722 . . . . 71.310000000000002 112.506 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -159.85 131.5 6.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 64.109999999999999 110.86 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 27' ' ' ASN . . . . . 0.615 HD22 HG21 ' H' ' 31' ' ' ILE . 18.8 m120 -102.43 99.97 10.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 72.219999999999999 110.925 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -114.74 171.66 7.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 73.450000000000003 110.891 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.94 -129.09 34.69 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.712 -0.756 . . . . 52.5 112.525 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 30' ' ' ALA . . . . . 0.58 ' HB2' ' CZ ' ' C' ' 4' ' ' PHE . . . -108.16 111.81 24.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.779 0.323 . . . . 74.530000000000001 111.091 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.885 HG13 HG22 ' I' ' 31' ' ' ILE . 0.0 OUTLIER -116.18 111.29 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 75.129999999999995 111.101 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -128.71 121.22 54.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 71.120000000000005 111.156 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.99 -46.83 93.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.747 -0.74 . . . . 55.020000000000003 112.493 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.919 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -161.27 146.07 13.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 64.219999999999999 110.941 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 4.1 ttp -131.7 121.83 24.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 62.450000000000003 110.83 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.644 HG21 HG11 ' C' ' 36' ' ' VAL . 85.3 t -150.22 109.66 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 55.420000000000002 111.172 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.25 -8.32 71.54 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.773 -0.727 . . . . 73.349999999999994 112.484 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.36 156.28 15.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 73.349999999999994 112.457 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.628 HG13 ' O ' ' G' ' 39' ' ' VAL . 64.5 t -135.85 138.39 47.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.901 0.382 . . . . 73.120000000000005 111.136 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' H' H ' 40' ' ' VAL . . . . . 0.505 HG22 ' HA ' ' G' ' 40' ' ' VAL . 30.3 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 75.109999999999999 111.139 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.818 0.342 . . . . 64.319999999999993 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.84 89.2 2.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 74.409999999999997 111.081 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.07 -39.51 82.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 71.239999999999995 110.93 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 4' ' ' PHE . . . . . 0.628 ' CE1' ' HB2' ' D' ' 30' ' ' ALA . 8.3 m-85 -144.04 112.29 6.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 72.049999999999997 110.906 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -126.88 108.48 11.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 73.099999999999994 110.849 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -113.29 116.31 29.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 74.299999999999997 110.885 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -113.49 102.16 10.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 71.430000000000007 110.823 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 24.9 m -155.08 174.52 15.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 74.310000000000002 110.817 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.41 -31.9 5.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 50.520000000000003 112.477 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -145.06 129.19 17.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 73.040000000000006 110.946 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -105.88 119.43 39.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.513 . . . . 73.040000000000006 110.877 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 43.8 t -125.52 112.57 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 75.5 111.118 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -118.48 114.06 22.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 60.420000000000002 110.829 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -125.91 122.25 35.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 72.340000000000003 110.82 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 15' ' ' GLN . . . . . 0.521 ' OE1' HG23 ' D' ' 39' ' ' VAL . 0.0 OUTLIER -118.46 132.12 56.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 72.319999999999993 110.921 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' I' I ' 16' ' ' LYS . . . . . 0.566 ' O ' HD22 ' I' ' 17' ' ' LEU . 1.0 OUTLIER -123.82 116.76 23.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 61.439999999999998 110.893 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.728 HD13 ' HB2' ' H' ' 17' ' ' LEU . 4.5 mm? -128.66 101.5 6.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 74.230000000000004 110.922 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' I' I ' 18' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' I' ' 21' ' ' ALA . 88.7 t -105.87 113.99 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 75.230000000000004 111.107 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' I' I ' 19' ' ' PHE . . . . . 0.533 ' HE1' HD12 ' I' ' 17' ' ' LEU . 4.9 m-30 -107.73 98.62 8.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 72.329999999999998 110.881 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' I' I ' 20' ' ' PHE . . . . . 0.411 ' CD1' ' HA2' ' I' ' 33' ' ' GLY . 7.8 m-85 60.19 84.01 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 62.549999999999997 110.88 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' I' I ' 21' ' ' ALA . . . . . 0.479 ' HB2' ' CG1' ' I' ' 18' ' ' VAL . . . -110.97 134.72 52.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 53.450000000000003 111.086 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 56.8 74.02 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 52.420000000000002 110.874 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.553 HG23 HG13 ' H' ' 24' ' ' VAL . 2.8 p -111.71 143.55 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.519999999999996 111.131 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.84 -46.5 37.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 63.100000000000001 112.468 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -160.11 131.25 5.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 53.450000000000003 110.843 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 27' ' ' ASN . . . . . 0.657 HD22 HG21 ' I' ' 31' ' ' ILE . 19.1 m120 -101.74 99.56 9.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 73.439999999999998 110.92 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -114.85 171.97 7.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 62.310000000000002 110.895 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.92 -129.06 34.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.773 -0.727 . . . . 75.230000000000004 112.52 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.604 ' HB2' ' CZ ' ' D' ' 4' ' ' PHE . . . -107.26 111.67 24.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.703 0.287 . . . . 73.040000000000006 111.11 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.885 HG22 HG13 ' H' ' 31' ' ' ILE . 0.0 OUTLIER -114.15 110.58 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.140000000000001 111.088 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -127.81 120.3 53.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 73.519999999999996 111.165 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 33' ' ' GLY . . . . . 0.411 ' HA2' ' CD1' ' I' ' 20' ' ' PHE . . . -62.18 -45.79 95.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 35.420000000000002 112.513 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.932 HD22 ' O ' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -160.87 145.44 13.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.807 0.336 . . . . 62.229999999999997 110.906 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 4.2 ttp -132.02 120.78 22.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 63.229999999999997 110.905 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.64 ' O ' HG13 ' J' ' 36' ' ' VAL . 89.7 t -150.74 109.06 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 50.43 111.107 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.85 -6.97 72.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 62.509999999999998 112.454 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.0 155.07 16.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 54.100000000000001 112.507 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 0.62 HG13 ' O ' ' H' ' 39' ' ' VAL . 69.1 t -136.12 137.36 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.34 . . . . 71.200000000000003 111.158 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' I' I ' 40' ' ' VAL . . . . . 0.458 HG22 ' HA ' ' H' ' 40' ' ' VAL . 30.4 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 74.230000000000004 111.171 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.889 0.376 . . . . 74.030000000000001 110.833 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.27 88.87 2.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 63.32 111.073 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.2 -38.82 80.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 73.239999999999995 110.845 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' J' J ' 4' ' ' PHE . . . . . 0.601 ' CZ ' ' HB2' ' E' ' 30' ' ' ALA . 6.2 m-85 -144.47 114.02 7.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 62.240000000000002 110.86 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -126.27 106.31 9.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 73.340000000000003 110.875 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -114.66 114.64 25.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 73.319999999999993 110.885 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -110.69 101.21 9.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 73.549999999999997 110.918 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 27.0 m -155.32 170.25 22.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 73.239999999999995 110.896 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.44 -30.46 7.29 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.771 -0.728 . . . . 71.219999999999999 112.481 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -146.18 127.91 15.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.823 0.344 . . . . 73.340000000000003 110.966 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -105.5 119.89 40.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 73.519999999999996 110.902 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 44.4 t -123.67 113.41 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 61.210000000000001 111.138 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -118.83 113.0 20.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 62.020000000000003 110.826 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -124.74 123.45 40.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 74.019999999999996 110.863 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' J' J ' 15' ' ' GLN . . . . . 0.618 ' OE1' HG23 ' E' ' 39' ' ' VAL . 0.0 OUTLIER -120.22 135.06 55.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 73.450000000000003 110.926 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' J' J ' 16' ' ' LYS . . . . . 0.56 ' O ' HD22 ' J' ' 17' ' ' LEU . 0.9 OUTLIER -123.63 116.11 22.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.450000000000003 110.899 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.618 HD13 ' HB2' ' I' ' 17' ' ' LEU . 4.3 mm? -129.03 102.67 6.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 74.040000000000006 110.949 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' J' J ' 18' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' J' ' 21' ' ' ALA . 93.1 t -105.25 115.38 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 63.329999999999998 111.116 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.561 ' HE1' HD12 ' J' ' 17' ' ' LEU . 4.8 m-30 -107.84 95.9 6.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 74.519999999999996 110.912 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' J' J ' 20' ' ' PHE . . . . . 0.414 ' CD1' ' HA2' ' J' ' 33' ' ' GLY . 7.0 m-85 60.66 82.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 75.040000000000006 110.872 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' J' J ' 21' ' ' ALA . . . . . 0.481 ' HB2' ' CG1' ' J' ' 18' ' ' VAL . . . -108.02 135.49 49.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 54.240000000000002 111.12 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 54.35 74.75 0.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 74.109999999999999 110.86 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.595 HG11 HD22 ' J' ' 27' ' ' ASN . 3.1 p -110.41 142.75 21.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 73.409999999999997 111.097 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.27 -45.61 30.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 74.420000000000002 112.5 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 4.2 m -161.0 131.52 5.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 63.149999999999999 110.844 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' J' J ' 27' ' ' ASN . . . . . 0.595 HD22 HG11 ' J' ' 24' ' ' VAL . 74.5 m-20 -100.59 98.82 9.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 74.319999999999993 110.898 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -114.78 171.28 7.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 73.420000000000002 110.89 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' J' J ' 29' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' E' ' 3' ' ' GLU . . . 52.42 -131.9 38.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 53.43 112.459 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 0.563 ' HB2' ' CZ ' ' E' ' 4' ' ' PHE . . . -103.64 113.15 26.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.761 0.315 . . . . 60.109999999999999 111.149 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.756 HG22 HG13 ' I' ' 31' ' ' ILE . 0.0 OUTLIER -111.3 113.36 44.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 74.549999999999997 111.125 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -130.13 113.67 26.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 62.020000000000003 111.136 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' J' J ' 33' ' ' GLY . . . . . 0.414 ' HA2' ' CD1' ' J' ' 20' ' ' PHE . . . -60.78 -41.06 98.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 65.230000000000004 112.462 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.812 HD22 ' O ' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -163.73 144.22 8.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.835 0.35 . . . . 74.239999999999995 110.912 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 4.0 ttp -133.04 120.72 21.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 73.319999999999993 110.87 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.64 HG13 ' O ' ' I' ' 36' ' ' VAL . 95.9 t -151.48 108.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 75.319999999999993 111.158 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.9 -3.85 68.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 51.130000000000003 112.507 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.76 155.0 16.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 73.109999999999999 112.487 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.585 HG23 ' OE1' ' E' ' 15' ' ' GLN . 72.4 t -136.29 140.5 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 73.439999999999998 111.152 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 24.9 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 71.049999999999997 111.104 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.805 0.336 . . . . 73.409999999999997 110.876 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.93 101.87 6.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 62.310000000000002 111.121 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.07 -34.31 77.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 73.030000000000001 110.882 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' PHE . . . . . 0.677 ' CE1' ' HB2' ' F' ' 30' ' ' ALA . 5.9 m-85 -147.27 113.02 5.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 64.420000000000002 110.917 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -137.8 108.01 6.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 75.019999999999996 110.853 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -112.73 109.36 18.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.467 . . . . 65.530000000000001 110.882 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -110.69 101.98 10.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 50.229999999999997 110.908 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.5 m -145.51 176.88 9.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 72.140000000000001 110.9 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.34 -7.27 43.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.777 -0.725 . . . . 74.030000000000001 112.47 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.47 117.52 0.35 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.849 0.357 . . . . 74.329999999999998 110.929 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.55 119.88 36.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 70.239999999999995 110.909 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.8 t -135.58 114.01 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 62.350000000000001 111.103 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -126.16 131.79 51.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 74.129999999999995 110.85 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -138.94 121.59 16.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 74.230000000000004 110.846 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -129.92 135.38 48.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 71.019999999999996 110.898 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -130.11 122.33 28.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 54.140000000000001 110.923 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LEU . . . . . 0.623 ' HB2' HD13 ' B' ' 17' ' ' LEU . 3.9 mm? -117.26 104.28 11.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 61.240000000000002 110.923 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.5 t -107.39 116.48 51.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 74.340000000000003 111.17 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' PHE . . . . . 0.605 ' HE1' HD12 ' A' ' 17' ' ' LEU . 8.4 m-85 -101.22 107.91 19.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 63.200000000000003 110.891 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PHE . . . . . 0.552 ' C ' ' O ' ' A' ' 19' ' ' PHE . 7.3 p90 24.2 79.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 75.420000000000002 110.815 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.72 149.38 29.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 71.319999999999993 111.118 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.5 t0 63.85 66.4 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 64.329999999999998 110.856 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' VAL . . . . . 0.756 HG13 HG23 ' B' ' 24' ' ' VAL . 4.5 p -110.71 144.17 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 74.299999999999997 111.122 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.57 -50.03 58.8 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.717 -0.754 . . . . 60.340000000000003 112.518 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.9 m -160.53 129.96 5.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 75.219999999999999 110.867 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -100.48 102.29 13.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 74.140000000000001 110.881 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.23 149.67 35.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 73.409999999999997 110.868 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.79 -133.32 20.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.745 . . . . 43.0 112.459 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . 0.669 ' HB2' ' CE1' ' F' ' 4' ' ' PHE . . . -105.76 114.27 28.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.32 . . . . 74.200000000000003 111.119 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ILE . . . . . 0.524 ' N ' HD13 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -121.17 112.11 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 72.310000000000002 111.126 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -129.24 121.15 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 74.519999999999996 111.149 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.32 -48.7 84.66 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.757 -0.735 . . . . 53.020000000000003 112.458 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LEU . . . . . 0.831 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -160.73 147.59 15.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 74.019999999999996 110.873 -179.88 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.9 mtp -135.99 123.32 21.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 73.540000000000006 110.89 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' VAL . . . . . 0.595 HG11 HG21 ' F' ' 36' ' ' VAL . 74.1 t -129.11 113.38 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 72.420000000000002 111.142 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.14 17.81 77.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 54.240000000000002 112.482 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.18 -171.1 29.67 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.765 -0.731 . . . . 64.109999999999999 112.473 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' VAL . . . . . 0.886 HG13 HG23 ' B' ' 39' ' ' VAL . 14.6 p -169.18 150.45 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.373 . . . . 61.310000000000002 111.092 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' VAL . . . . . 0.407 ' HA ' HG22 ' B' ' 40' ' ' VAL . 34.9 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 70.519999999999996 111.121 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.782 0.325 . . . . 61.310000000000002 110.894 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.98 101.99 6.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 53.420000000000002 111.116 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.64 -32.32 72.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 63.009999999999998 110.895 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 4' ' ' PHE . . . . . 0.66 ' CE1' ' HB2' ' G' ' 30' ' ' ALA . 6.8 m-85 -149.0 111.83 4.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 74.310000000000002 110.854 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -133.41 108.04 8.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 74.420000000000002 110.865 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 6' ' ' HIS . . . . . 0.427 ' CE1' ' HB2' ' B' ' 8' ' ' SER . 46.0 t-80 -114.22 109.37 18.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 62.329999999999998 110.879 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -111.87 102.13 10.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 73.239999999999995 110.861 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 8' ' ' SER . . . . . 0.427 ' HB2' ' CE1' ' B' ' 6' ' ' HIS . 43.5 m -145.91 176.34 9.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 73.420000000000002 110.855 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.54 -7.31 42.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 73.200000000000003 112.493 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.4 116.05 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.847 0.356 . . . . 63.149999999999999 110.908 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.45 119.59 34.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 75.099999999999994 110.896 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.5 t -133.22 114.22 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 74.209999999999994 111.115 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -125.08 132.61 53.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 74.019999999999996 110.897 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -136.35 122.87 20.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 75.310000000000002 110.835 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -129.69 132.62 46.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 63.409999999999997 110.87 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -128.69 121.75 29.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 72.049999999999997 110.898 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 17' ' ' LEU . . . . . 0.623 HD13 ' HB2' ' A' ' 17' ' ' LEU . 4.1 mm? -120.06 102.29 8.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 75.239999999999995 110.886 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 60.9 t -105.91 116.12 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 75.129999999999995 111.087 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 19' ' ' PHE . . . . . 0.594 ' HE1' HD12 ' B' ' 17' ' ' LEU . 6.1 m-30 -101.08 99.88 10.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 74.349999999999994 110.911 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 20' ' ' PHE . . . . . 0.515 ' C ' ' O ' ' B' ' 19' ' ' PHE . 9.8 p90 27.3 79.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 61.439999999999998 110.858 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.03 149.85 27.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 54.439999999999998 111.097 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 25.0 t0 64.35 66.93 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 52.210000000000001 110.857 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 24' ' ' VAL . . . . . 0.798 HG13 HG23 ' C' ' 24' ' ' VAL . 3.5 p -110.17 142.98 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 52.439999999999998 111.126 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.8 -48.18 73.84 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.803 -0.713 . . . . 75.140000000000001 112.51 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 26' ' ' SER . . . . . 0.405 ' H ' HG22 ' B' ' 24' ' ' VAL . 10.5 m -160.64 128.51 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 64.230000000000004 110.879 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -100.04 101.71 12.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 72.409999999999997 110.878 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.82 152.32 30.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 72.530000000000001 110.904 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.54 -132.04 22.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 72.120000000000005 112.492 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ALA . . . . . 0.641 ' HB2' ' CE1' ' G' ' 4' ' ' PHE . . . -107.62 114.21 28.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.789 0.328 . . . . 71.519999999999996 111.053 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 31' ' ' ILE . . . . . 0.548 ' N ' HD13 ' B' ' 31' ' ' ILE . 0.0 OUTLIER -118.8 111.94 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 74.430000000000007 111.137 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.417 HG21 ' HG3' ' B' ' 35' ' ' MET . 3.5 mt -127.62 123.69 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 74.099999999999994 111.157 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.96 -49.38 76.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 60.020000000000003 112.47 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 34' ' ' LEU . . . . . 0.909 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -156.91 147.34 21.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.338 . . . . 70.540000000000006 110.901 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' B' B ' 35' ' ' MET . . . . . 0.417 ' HG3' HG21 ' B' ' 32' ' ' ILE . 5.0 mtp -131.07 123.08 27.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 51.109999999999999 110.903 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' VAL . . . . . 0.782 HG11 HG21 ' G' ' 36' ' ' VAL . 91.1 t -134.73 112.31 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 64.010000000000005 111.137 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.98 19.15 69.58 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 74.109999999999999 112.474 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.71 -171.7 33.07 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 65.510000000000005 112.452 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 39' ' ' VAL . . . . . 0.886 HG23 HG13 ' A' ' 39' ' ' VAL . 14.8 p -168.28 149.62 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 64.310000000000002 111.115 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 40' ' ' VAL . . . . . 0.415 ' HA ' HG22 ' C' ' 40' ' ' VAL . 35.3 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 70.430000000000007 111.099 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.77 0.319 . . . . 74.010000000000005 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.69 102.42 6.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 73.439999999999998 111.153 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.75 -31.96 72.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 73.519999999999996 110.9 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 4' ' ' PHE . . . . . 0.637 ' CE1' ' HB2' ' H' ' 30' ' ' ALA . 7.2 m-85 -149.37 111.31 4.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 71.049999999999997 110.883 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -131.25 108.2 9.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 64.439999999999998 110.915 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 6' ' ' HIS . . . . . 0.415 ' CE1' ' HB2' ' C' ' 8' ' ' SER . 48.2 t-80 -116.18 109.11 17.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 71.400000000000006 110.837 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -111.61 102.15 10.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 74.420000000000002 110.892 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 8' ' ' SER . . . . . 0.415 ' HB2' ' CE1' ' C' ' 6' ' ' HIS . 45.9 m -145.88 175.97 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 43.509999999999998 110.872 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.36 -7.05 40.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 73.109999999999999 112.477 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -172.29 115.85 0.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.819 0.342 . . . . 74.439999999999998 110.913 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.7 119.92 34.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 75.219999999999999 110.891 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 99.4 t -132.11 113.94 22.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 71.530000000000001 111.113 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -124.86 132.5 53.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 72.420000000000002 110.893 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -135.27 123.45 22.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 70.329999999999998 110.854 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -129.97 132.2 46.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 73.540000000000006 110.895 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 16' ' ' LYS . . . . . 0.405 ' O ' HD22 ' C' ' 17' ' ' LEU . 10.9 tttp -127.71 121.79 31.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 64.319999999999993 110.93 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 17' ' ' LEU . . . . . 0.606 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.0 mm? -123.31 101.28 7.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 71.450000000000003 110.926 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 58.8 t -105.91 117.35 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 61.030000000000001 111.12 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 19' ' ' PHE . . . . . 0.569 ' HE1' HD12 ' C' ' 17' ' ' LEU . 4.6 m-30 -101.14 98.75 9.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 72.049999999999997 110.877 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 20' ' ' PHE . . . . . 0.522 ' C ' ' O ' ' C' ' 19' ' ' PHE . 9.8 p90 26.95 78.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 73.219999999999999 110.881 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.1 149.65 26.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 71.040000000000006 111.12 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t0 64.16 67.22 0.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 75.349999999999994 110.843 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 24' ' ' VAL . . . . . 0.798 HG23 HG13 ' B' ' 24' ' ' VAL . 3.4 p -110.06 142.72 21.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 73.439999999999998 111.089 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.76 -47.37 86.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.712 -0.756 . . . . 73.219999999999999 112.484 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 26' ' ' SER . . . . . 0.417 ' H ' HG22 ' C' ' 24' ' ' VAL . 11.4 m -160.19 128.03 4.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.358 . . . . 43.030000000000001 110.847 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 27' ' ' ASN . . . . . 0.411 ' OD1' HG11 ' C' ' 24' ' ' VAL . 22.9 m-20 -101.03 101.14 11.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 75.239999999999995 110.876 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.03 152.47 30.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 73.219999999999999 110.883 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.54 -132.67 20.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 61.43 112.493 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 30' ' ' ALA . . . . . 0.644 ' HB2' ' CE1' ' H' ' 4' ' ' PHE . . . -106.54 113.77 27.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 73.120000000000005 111.085 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 31' ' ' ILE . . . . . 0.551 ' N ' HD13 ' C' ' 31' ' ' ILE . 0.0 OUTLIER -118.09 111.15 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 65.109999999999999 111.134 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.465 HG21 ' HG3' ' C' ' 35' ' ' MET . 3.4 mt -126.84 123.47 62.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 64.329999999999998 111.181 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.2 -49.61 73.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 61.509999999999998 112.448 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 34' ' ' LEU . . . . . 0.896 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -155.54 146.19 22.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.341 . . . . 60.340000000000003 110.909 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' C' C ' 35' ' ' MET . . . . . 0.465 ' HG3' HG21 ' C' ' 32' ' ' ILE . 5.0 mtp -129.02 122.68 30.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 75.219999999999999 110.907 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 36' ' ' VAL . . . . . 0.838 HG21 HG11 ' H' ' 36' ' ' VAL . 93.9 t -136.01 111.52 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 75.150000000000006 111.163 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.04 20.73 67.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.804 -0.712 . . . . 70.299999999999997 112.488 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.0 -171.74 34.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.658 -0.782 . . . . 72.109999999999999 112.48 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 39' ' ' VAL . . . . . 0.887 HG13 HG23 ' D' ' 39' ' ' VAL . 14.8 p -167.61 149.47 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.37 . . . . 75.230000000000004 111.117 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 40' ' ' VAL . . . . . 0.442 ' HA ' HG22 ' D' ' 40' ' ' VAL . 35.9 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 71.329999999999998 111.11 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.795 0.331 . . . . 63.530000000000001 110.873 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.96 102.5 6.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 73.120000000000005 111.125 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.14 -32.19 73.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 42.329999999999998 110.897 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 4' ' ' PHE . . . . . 0.658 ' CE1' ' HB2' ' I' ' 30' ' ' ALA . 7.0 m-85 -148.97 110.83 4.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 74.549999999999997 110.914 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -129.75 108.09 9.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 62.329999999999998 110.855 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 6' ' ' HIS . . . . . 0.406 ' CE1' ' HB2' ' D' ' 8' ' ' SER . 49.8 t-80 -118.2 108.92 15.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 74.409999999999997 110.881 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -110.38 102.34 10.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 73.239999999999995 110.83 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 8' ' ' SER . . . . . 0.406 ' HB2' ' CE1' ' D' ' 6' ' ' HIS . 48.0 m -146.14 174.34 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 71.239999999999995 110.841 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.02 -6.14 40.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.743 . . . . 73.25 112.494 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -171.89 116.44 0.38 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.8 0.333 . . . . 73.400000000000006 110.883 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.11 121.85 36.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 75.239999999999995 110.894 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 98.8 t -131.95 114.01 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 74.219999999999999 111.084 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -126.4 132.41 51.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 75.519999999999996 110.874 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -134.91 123.76 23.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 72.25 110.826 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -130.41 131.32 45.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 74.239999999999995 110.918 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 16' ' ' LYS . . . . . 0.468 ' O ' HD22 ' D' ' 17' ' ' LEU . 11.3 tttp -126.42 120.5 29.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 64.409999999999997 110.902 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 17' ' ' LEU . . . . . 0.56 HD12 ' HE1' ' D' ' 19' ' ' PHE . 3.8 mm? -125.5 100.37 6.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 62.25 110.904 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 59.5 t -105.86 119.01 54.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 73.319999999999993 111.138 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 19' ' ' PHE . . . . . 0.56 ' HE1' HD12 ' D' ' 17' ' ' LEU . 4.0 m-30 -100.93 97.01 7.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 74.010000000000005 110.91 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 20' ' ' PHE . . . . . 0.523 ' C ' ' O ' ' D' ' 19' ' ' PHE . 10.0 p90 27.22 77.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 63.240000000000002 110.901 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.37 149.63 25.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 71.299999999999997 111.109 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 25.1 t0 64.01 67.72 0.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 63.229999999999997 110.888 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 24' ' ' VAL . . . . . 0.797 HG13 HG23 ' E' ' 24' ' ' VAL . 3.5 p -110.53 142.44 22.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 74.409999999999997 111.097 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.45 -47.05 90.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.729 . . . . 41.229999999999997 112.495 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 26' ' ' SER . . . . . 0.415 ' H ' HG22 ' D' ' 24' ' ' VAL . 10.1 m -160.43 126.93 4.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.916 0.389 . . . . 62.310000000000002 110.851 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -101.01 102.65 13.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 75.439999999999998 110.882 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.97 152.5 30.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 74.310000000000002 110.874 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.83 -132.57 19.89 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.717 -0.754 . . . . 33.43 112.515 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 30' ' ' ALA . . . . . 0.664 ' HB2' ' CE1' ' I' ' 4' ' ' PHE . . . -106.91 113.43 26.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.751 0.31 . . . . 74.430000000000007 111.11 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 31' ' ' ILE . . . . . 0.557 ' N ' HD13 ' D' ' 31' ' ' ILE . 0.0 OUTLIER -116.97 111.25 34.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 72.450000000000003 111.121 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.495 HG21 ' HG3' ' D' ' 35' ' ' MET . 3.3 mt -126.06 123.53 64.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 74.319999999999993 111.133 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.99 -51.38 57.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 44.25 112.521 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 34' ' ' LEU . . . . . 0.91 HD22 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -153.42 144.71 23.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 73.200000000000003 110.927 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' D' D ' 35' ' ' MET . . . . . 0.495 ' HG3' HG21 ' D' ' 32' ' ' ILE . 5.0 mtp -128.68 122.05 29.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 73.219999999999999 110.874 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 36' ' ' VAL . . . . . 0.867 HG11 HG21 ' I' ' 36' ' ' VAL . 98.9 t -136.96 111.0 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 73.239999999999995 111.128 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.04 20.05 66.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.681 -0.771 . . . . 41.329999999999998 112.488 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.1 -171.37 35.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 74.510000000000005 112.523 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 39' ' ' VAL . . . . . 0.887 HG23 HG13 ' C' ' 39' ' ' VAL . 14.5 p -166.87 150.32 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 42.350000000000001 111.085 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 40' ' ' VAL . . . . . 0.482 ' HA ' HG22 ' E' ' 40' ' ' VAL . 35.7 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 74.239999999999995 111.115 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.781 0.324 . . . . 45.240000000000002 110.921 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.31 102.45 6.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 71.299999999999997 111.073 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 3' ' ' GLU . . . . . 0.422 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . 1.7 mp0 -65.81 -31.34 72.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 64.230000000000004 110.93 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 4' ' ' PHE . . . . . 0.61 ' CE1' ' HB2' ' J' ' 30' ' ' ALA . 7.2 m-85 -148.69 113.4 5.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 63.329999999999998 110.885 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -129.52 106.42 8.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 73.439999999999998 110.863 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -118.83 109.08 15.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 75.120000000000005 110.86 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -108.38 101.45 10.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 70.510000000000005 110.881 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 47.5 m -148.47 169.6 19.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 74.519999999999996 110.835 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.15 -5.57 43.45 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.711 -0.757 . . . . 74.030000000000001 112.486 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -170.93 115.21 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.366 . . . . 74.099999999999994 110.895 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.91 123.71 38.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 52.149999999999999 110.894 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 92.8 t -129.89 115.17 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 73.310000000000002 111.105 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -126.33 133.48 51.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 71.329999999999998 110.865 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -134.58 124.35 25.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 74.209999999999994 110.862 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -131.94 132.6 43.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 73.430000000000007 110.922 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 16' ' ' LYS . . . . . 0.548 ' O ' HD22 ' E' ' 17' ' ' LEU . 10.5 tttp -126.96 120.58 29.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 65.219999999999999 110.896 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 17' ' ' LEU . . . . . 0.548 HD22 ' O ' ' E' ' 16' ' ' LYS . 3.8 mm? -128.0 100.06 5.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 72.340000000000003 110.92 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 60.3 t -104.4 120.67 55.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 71.439999999999998 111.09 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 19' ' ' PHE . . . . . 0.532 ' HE1' HD12 ' E' ' 17' ' ' LEU . 3.5 m-30 -103.5 95.95 6.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 73.129999999999995 110.909 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 20' ' ' PHE . . . . . 0.511 ' C ' ' O ' ' E' ' 19' ' ' PHE . 12.3 p90 29.02 75.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 73.010000000000005 110.839 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.84 147.08 27.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 72.209999999999994 111.083 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 24.6 t0 62.27 69.13 0.63 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 72.5 110.887 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 24' ' ' VAL . . . . . 0.797 HG23 HG13 ' D' ' 24' ' ' VAL . 4.2 p -110.19 141.66 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 64.439999999999998 111.114 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.34 -47.04 92.0 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.756 -0.735 . . . . 55.240000000000002 112.493 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 10.8 m -160.59 126.3 3.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 71.420000000000002 110.882 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -101.33 102.84 13.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 74.25 110.898 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.14 152.77 30.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 72.310000000000002 110.945 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.75 -134.01 21.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 74.030000000000001 112.478 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 30' ' ' ALA . . . . . 0.638 ' HB2' ' CZ ' ' J' ' 4' ' ' PHE . . . -103.85 113.7 27.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.743 0.306 . . . . 51.140000000000001 111.136 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 31' ' ' ILE . . . . . 0.481 ' N ' HD13 ' E' ' 31' ' ' ILE . 0.0 OUTLIER -115.95 112.75 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 73.450000000000003 111.123 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' E' E ' 32' ' ' ILE . . . . . 0.558 HG21 ' HG3' ' E' ' 35' ' ' MET . 3.3 mt -128.04 120.58 54.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 74.239999999999995 111.118 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.6 -47.8 88.34 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 62.340000000000003 112.459 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 34' ' ' LEU . . . . . 0.85 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -153.32 148.14 26.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.849 0.357 . . . . 74.030000000000001 110.933 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' E' E ' 35' ' ' MET . . . . . 0.558 ' HG3' HG21 ' E' ' 32' ' ' ILE . 4.9 mtp -134.21 120.12 19.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 63.229999999999997 110.847 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 36' ' ' VAL . . . . . 0.724 HG11 HG21 ' J' ' 36' ' ' VAL . 93.8 t -138.0 111.18 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 74.010000000000005 111.144 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.84 21.21 63.0 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.761 -0.733 . . . . 64.319999999999993 112.485 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.9 -171.16 35.56 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 71.219999999999999 112.46 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' E' E ' 39' ' ' VAL . . . . . 0.805 HG23 HG13 ' D' ' 39' ' ' VAL . 14.7 p -166.9 150.03 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 72.230000000000004 111.131 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' E' E ' 40' ' ' VAL . . . . . 0.482 HG22 ' HA ' ' D' ' 40' ' ' VAL . 29.0 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 74.510000000000005 111.139 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.83 0.348 . . . . 72.230000000000004 110.841 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.42 101.94 6.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 73.430000000000007 111.111 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -67.03 -33.76 76.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 53.340000000000003 110.882 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 4' ' ' PHE . . . . . 0.669 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 6.0 m-85 -147.08 113.46 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 71.219999999999999 110.857 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -137.85 108.16 6.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 61.149999999999999 110.913 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -112.49 109.43 19.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 70.540000000000006 110.884 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -110.45 102.34 10.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 75.219999999999999 110.863 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 45.0 m -145.93 176.61 9.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 74.129999999999995 110.864 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.29 -7.33 43.41 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 74.010000000000005 112.475 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.29 117.58 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 65.219999999999999 110.899 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.14 119.57 35.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 74.329999999999998 110.912 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 89.8 t -135.56 114.14 15.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.475 . . . . 73.299999999999997 111.078 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -126.38 132.16 51.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 72.25 110.817 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -139.12 121.93 16.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 71.340000000000003 110.882 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -130.6 135.09 47.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 64.200000000000003 110.886 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -130.12 122.66 28.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 74.530000000000001 110.948 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 17' ' ' LEU . . . . . 0.628 ' HB2' HD13 ' G' ' 17' ' ' LEU . 3.9 mm? -117.34 104.29 10.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 72.120000000000005 110.936 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 60.6 t -107.38 116.76 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 74.530000000000001 111.143 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 19' ' ' PHE . . . . . 0.58 ' HE1' HD12 ' F' ' 17' ' ' LEU . 8.3 m-85 -101.42 107.65 19.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 75.450000000000003 110.873 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 20' ' ' PHE . . . . . 0.558 ' C ' ' O ' ' F' ' 19' ' ' PHE . 7.2 p90 24.41 79.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 71.349999999999994 110.884 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.69 149.21 29.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 65.140000000000001 111.085 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 24.4 t0 64.46 66.22 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 54.100000000000001 110.892 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 24' ' ' VAL . . . . . 0.76 HG13 HG23 ' G' ' 24' ' ' VAL . 4.6 p -110.94 144.43 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 74.209999999999994 111.145 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.18 -50.06 60.87 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 54.140000000000001 112.499 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 11.4 m -160.44 128.82 4.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.378 . . . . 73.239999999999995 110.854 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -98.97 101.62 13.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 74.209999999999994 110.864 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.87 150.33 33.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 73.450000000000003 110.942 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.59 -134.2 22.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 62.310000000000002 112.453 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 30' ' ' ALA . . . . . 0.677 ' HB2' ' CE1' ' A' ' 4' ' ' PHE . . . -104.99 113.8 27.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.32 . . . . 75.340000000000003 111.088 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 31' ' ' ILE . . . . . 0.533 ' N ' HD13 ' F' ' 31' ' ' ILE . 0.0 OUTLIER -121.0 112.71 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 73.329999999999998 111.108 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mt -129.68 120.8 51.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 64.120000000000005 111.139 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 33' ' ' GLY . . . . . 0.4 ' HA3' ' HB3' ' F' ' 19' ' ' PHE . . . -58.39 -49.6 74.82 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.689 -0.767 . . . . 75.019999999999996 112.478 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 34' ' ' LEU . . . . . 0.852 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -160.8 147.8 15.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 71.329999999999998 110.915 -179.9 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtp -135.26 123.31 22.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 62.43 110.915 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 36' ' ' VAL . . . . . 0.595 HG21 HG11 ' A' ' 36' ' ' VAL . 74.7 t -129.03 113.27 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 51.420000000000002 111.171 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.74 17.21 76.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.779 -0.724 . . . . 62.329999999999998 112.463 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.29 -171.2 29.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 72.010000000000005 112.498 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' F' F ' 39' ' ' VAL . . . . . 0.886 HG13 HG23 ' G' ' 39' ' ' VAL . 14.8 p -168.97 149.97 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 71.310000000000002 111.109 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' F' F ' 40' ' ' VAL . . . . . 0.441 HG12 HG22 ' G' ' 40' ' ' VAL . 34.2 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 55.350000000000001 111.142 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.8 0.333 . . . . 72.310000000000002 110.867 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.88 101.58 6.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 62.219999999999999 111.142 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -67.03 -33.75 76.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 73.010000000000005 110.884 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 4' ' ' PHE . . . . . 0.641 ' CE1' ' HB2' ' B' ' 30' ' ' ALA . 7.0 m-85 -148.48 112.42 5.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 72.450000000000003 110.911 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -133.24 108.44 8.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 74.340000000000003 110.894 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 6' ' ' HIS . . . . . 0.433 ' CE1' ' HB2' ' G' ' 8' ' ' SER . 44.9 t-80 -113.83 108.9 17.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 43.420000000000002 110.803 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -111.19 102.18 10.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 71.120000000000005 110.918 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 8' ' ' SER . . . . . 0.433 ' HB2' ' CE1' ' G' ' 6' ' ' HIS . 45.5 m -146.34 176.16 9.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 72.109999999999999 110.865 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.59 -7.23 42.77 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 64.120000000000005 112.44 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.37 116.22 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 72.239999999999995 110.908 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.31 119.41 33.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 71.430000000000007 110.851 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 96.7 t -133.3 114.24 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 62.310000000000002 111.174 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 42.0 m170 -125.24 132.62 52.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 62.329999999999998 110.864 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -136.27 123.01 21.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 75.099999999999994 110.828 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -130.41 132.6 45.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 64.420000000000002 110.92 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -128.77 122.98 31.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 70.430000000000007 110.906 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 17' ' ' LEU . . . . . 0.635 ' HB2' HD13 ' H' ' 17' ' ' LEU . 4.2 mm? -120.33 102.27 8.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 72.340000000000003 110.914 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 60.4 t -105.9 115.8 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 71.209999999999994 111.158 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 19' ' ' PHE . . . . . 0.573 ' HE1' HD12 ' G' ' 17' ' ' LEU . 6.0 m-30 -101.08 99.71 10.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 71.150000000000006 110.894 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' G' G ' 20' ' ' PHE . . . . . 0.521 ' C ' ' O ' ' G' ' 19' ' ' PHE . 10.2 p90 27.45 79.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 75.010000000000005 110.844 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.3 149.99 27.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 54.329999999999998 111.054 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t0 64.47 66.82 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 73.310000000000002 110.875 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 24' ' ' VAL . . . . . 0.822 HG13 HG23 ' H' ' 24' ' ' VAL . 3.6 p -110.3 143.2 20.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 50.240000000000002 111.141 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.48 -48.2 78.04 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 22.309999999999999 112.492 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 10.8 m -160.28 127.8 4.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 72.400000000000006 110.887 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -99.89 101.13 12.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 64.430000000000007 110.868 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.53 153.19 29.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 73.420000000000002 110.846 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.42 -132.5 22.97 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.735 -0.745 . . . . 72.310000000000002 112.489 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 30' ' ' ALA . . . . . 0.66 ' HB2' ' CE1' ' B' ' 4' ' ' PHE . . . -107.46 113.97 27.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 63.450000000000003 111.118 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' G' G ' 31' ' ' ILE . . . . . 0.556 ' N ' HD13 ' G' ' 31' ' ' ILE . 0.0 OUTLIER -118.73 112.33 37.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 72.519999999999996 111.176 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' G' G ' 32' ' ' ILE . . . . . 0.416 HG21 ' HG3' ' G' ' 35' ' ' MET . 3.5 mt -127.83 123.69 61.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 73.319999999999993 111.17 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.01 -49.73 72.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 62.009999999999998 112.464 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 34' ' ' LEU . . . . . 0.909 HD22 ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -157.12 147.3 20.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.836 0.35 . . . . 64.209999999999994 110.915 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' G' G ' 35' ' ' MET . . . . . 0.416 ' HG3' HG21 ' G' ' 32' ' ' ILE . 5.0 mtp -131.07 123.19 28.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 43.130000000000003 110.855 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' G' G ' 36' ' ' VAL . . . . . 0.782 HG21 HG11 ' B' ' 36' ' ' VAL . 85.9 t -134.61 112.43 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 73.319999999999993 111.168 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.38 18.64 69.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 72.340000000000003 112.47 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.22 -171.95 32.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.773 -0.727 . . . . 72.409999999999997 112.508 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' G' G ' 39' ' ' VAL . . . . . 0.903 HG13 HG23 ' H' ' 39' ' ' VAL . 14.8 p -168.08 149.47 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.885 0.374 . . . . 72.409999999999997 111.099 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' G' G ' 40' ' ' VAL . . . . . 0.441 HG22 HG12 ' F' ' 40' ' ' VAL . 34.3 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 71.400000000000006 111.089 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.808 0.337 . . . . 72.200000000000003 110.857 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.97 102.47 6.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 71.030000000000001 111.091 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.58 -33.83 76.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 71.439999999999998 110.897 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 4' ' ' PHE . . . . . 0.644 ' CE1' ' HB2' ' C' ' 30' ' ' ALA . 6.9 m-85 -148.77 112.28 5.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 75.030000000000001 110.904 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -131.64 108.11 9.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 64.430000000000007 110.838 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 6' ' ' HIS . . . . . 0.42 ' CE1' ' HB2' ' H' ' 8' ' ' SER . 47.1 t-80 -115.08 108.81 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 62.329999999999998 110.854 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -111.2 102.1 10.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 75.010000000000005 110.874 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 8' ' ' SER . . . . . 0.42 ' HB2' ' CE1' ' H' ' 6' ' ' HIS . 45.7 m -145.86 175.65 10.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 72.409999999999997 110.86 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.73 -7.41 41.98 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 41.340000000000003 112.485 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -172.34 115.57 0.33 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.839 0.352 . . . . 73.109999999999999 110.947 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.86 119.87 33.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 75.430000000000007 110.897 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 98.9 t -132.37 114.08 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 72.329999999999998 111.114 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 43.0 m170 -125.22 132.3 53.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 74.319999999999993 110.889 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -135.21 123.31 22.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 61.210000000000001 110.843 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -130.4 132.38 45.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 52.539999999999999 110.911 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -127.49 122.3 33.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 73.25 110.901 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 17' ' ' LEU . . . . . 0.635 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.2 mm? -122.5 100.98 7.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 70.120000000000005 110.905 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 59.5 t -106.07 116.52 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 70.140000000000001 111.139 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 19' ' ' PHE . . . . . 0.529 ' HE1' HD12 ' H' ' 17' ' ' LEU . 4.5 m-30 -100.91 98.55 9.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 73.450000000000003 110.874 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 20' ' ' PHE . . . . . 0.521 ' C ' ' O ' ' H' ' 19' ' ' PHE . 10.4 p90 27.29 78.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 53.130000000000003 110.868 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.77 150.03 26.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 60.539999999999999 111.047 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 24.6 t0 64.01 67.21 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 73.409999999999997 110.884 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 24' ' ' VAL . . . . . 0.822 HG23 HG13 ' G' ' 24' ' ' VAL . 3.3 p -110.19 142.5 22.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 75.120000000000005 111.113 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.62 -47.49 84.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.732 . . . . 63.450000000000003 112.466 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 26' ' ' SER . . . . . 0.401 ' H ' HG22 ' H' ' 24' ' ' VAL . 10.9 m -160.23 126.94 4.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.935 0.398 . . . . 63.43 110.818 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 27' ' ' ASN . . . . . 0.408 ' OD1' HG11 ' H' ' 24' ' ' VAL . 21.7 m-20 -99.77 101.14 12.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 73.109999999999999 110.888 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.51 153.34 28.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 74.219999999999999 110.913 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.62 -133.19 23.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 51.100000000000001 112.509 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 30' ' ' ALA . . . . . 0.637 ' HB2' ' CE1' ' C' ' 4' ' ' PHE . . . -106.42 113.84 27.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 74.040000000000006 111.041 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 31' ' ' ILE . . . . . 0.554 ' N ' HD13 ' H' ' 31' ' ' ILE . 0.0 OUTLIER -117.71 111.73 35.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 72.209999999999994 111.147 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' H' H ' 32' ' ' ILE . . . . . 0.462 HG21 ' HG3' ' H' ' 35' ' ' MET . 3.5 mt -127.1 123.21 61.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 70.409999999999997 111.123 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.19 -49.97 69.65 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 61.439999999999998 112.515 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 34' ' ' LEU . . . . . 0.922 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -155.54 145.71 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 72.439999999999998 110.95 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' H' H ' 35' ' ' MET . . . . . 0.462 ' HG3' HG21 ' H' ' 32' ' ' ILE . 5.0 mtp -128.98 122.91 31.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 61.530000000000001 110.921 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 36' ' ' VAL . . . . . 0.838 HG11 HG21 ' C' ' 36' ' ' VAL . 99.5 t -136.69 112.34 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 70.049999999999997 111.163 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.66 19.59 67.26 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 73.010000000000005 112.493 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.41 -171.58 33.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 64.329999999999998 112.448 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' H' H ' 39' ' ' VAL . . . . . 0.908 HG13 HG23 ' I' ' 39' ' ' VAL . 14.7 p -168.07 149.71 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.368 . . . . 71.329999999999998 111.123 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' H' H ' 40' ' ' VAL . . . . . 0.471 ' HA ' HG22 ' I' ' 40' ' ' VAL . 36.0 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 62.210000000000001 111.135 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.838 0.352 . . . . 75.329999999999998 110.846 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.81 102.52 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 54.25 111.108 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.78 -33.87 76.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 60.340000000000003 110.919 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 4' ' ' PHE . . . . . 0.664 ' CE1' ' HB2' ' D' ' 30' ' ' ALA . 6.8 m-85 -148.55 111.85 4.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 73.109999999999999 110.881 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -130.39 108.09 9.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 75.530000000000001 110.88 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 6' ' ' HIS . . . . . 0.422 ' CE1' ' HB2' ' I' ' 8' ' ' SER . 49.3 t-80 -117.28 108.66 15.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 73.209999999999994 110.842 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -110.39 102.26 10.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 73.239999999999995 110.859 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 8' ' ' SER . . . . . 0.422 ' HB2' ' CE1' ' I' ' 6' ' ' HIS . 45.0 m -146.31 174.36 11.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 43.240000000000002 110.844 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.47 -6.46 41.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.775 -0.726 . . . . 53.25 112.496 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.28 116.57 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 73.329999999999998 110.892 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.89 121.37 35.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 74.340000000000003 110.854 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 98.1 t -131.65 113.91 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 73.299999999999997 111.145 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 46.9 m170 -126.3 132.42 51.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 74.230000000000004 110.858 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -135.08 123.81 23.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 64.329999999999998 110.845 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -130.93 131.64 44.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 73.310000000000002 110.935 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 16' ' ' LYS . . . . . 0.484 ' O ' HD22 ' I' ' 17' ' ' LEU . 11.1 tttp -126.26 121.07 31.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 70.109999999999999 110.884 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' I' I ' 17' ' ' LEU . . . . . 0.544 HD13 ' HB2' ' H' ' 17' ' ' LEU . 4.1 mm? -124.91 100.3 6.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 71.030000000000001 110.924 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 59.5 t -106.23 118.06 53.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 74.209999999999994 111.098 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 19' ' ' PHE . . . . . 0.525 ' O ' ' C ' ' I' ' 20' ' ' PHE . 3.9 m-30 -100.54 97.48 8.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 74.439999999999998 110.883 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' I' I ' 20' ' ' PHE . . . . . 0.525 ' C ' ' O ' ' I' ' 19' ' ' PHE . 9.9 p90 27.1 77.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 72.340000000000003 110.844 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.13 149.6 26.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 63.030000000000001 111.102 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 25.4 t0 64.08 67.61 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 74.239999999999995 110.845 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 24' ' ' VAL . . . . . 0.797 HG13 HG23 ' J' ' 24' ' ' VAL . 3.3 p -110.54 142.27 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 74.420000000000002 111.094 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.2 -46.96 91.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 62.329999999999998 112.521 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 26' ' ' SER . . . . . 0.409 ' H ' HG22 ' I' ' 24' ' ' VAL . 10.2 m -160.45 125.96 3.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 70.109999999999999 110.876 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' I' I ' 27' ' ' ASN . . . . . 0.402 ' CG ' HG11 ' I' ' 24' ' ' VAL . 24.7 m-20 -100.11 102.08 13.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 62.219999999999999 110.854 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.23 153.72 27.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 72.420000000000002 110.943 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.76 -133.92 23.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 73.310000000000002 112.509 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 30' ' ' ALA . . . . . 0.658 ' HB2' ' CE1' ' D' ' 4' ' ' PHE . . . -105.62 113.51 27.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 60.299999999999997 111.071 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' I' I ' 31' ' ' ILE . . . . . 0.551 ' N ' HD13 ' I' ' 31' ' ' ILE . 0.0 OUTLIER -116.87 112.34 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 71.400000000000006 111.107 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' I' I ' 32' ' ' ILE . . . . . 0.461 HG21 ' HG3' ' I' ' 35' ' ' MET . 3.4 mt -127.14 124.23 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 75.040000000000006 111.16 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.84 -51.96 51.81 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.699 -0.762 . . . . 44.340000000000003 112.492 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 34' ' ' LEU . . . . . 0.885 HD22 ' O ' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -153.18 144.84 23.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.86 0.362 . . . . 70.349999999999994 110.925 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' I' I ' 35' ' ' MET . . . . . 0.461 ' HG3' HG21 ' I' ' 32' ' ' ILE . 5.0 mtp -128.85 122.38 30.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 70.010000000000005 110.887 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' I' I ' 36' ' ' VAL . . . . . 0.867 HG21 HG11 ' D' ' 36' ' ' VAL . 96.6 t -137.01 111.37 9.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 61.299999999999997 111.147 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.85 20.38 66.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 42.240000000000002 112.491 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.99 -171.0 33.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.737 . . . . 62.119999999999997 112.465 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' I' I ' 39' ' ' VAL . . . . . 0.908 HG23 HG13 ' H' ' 39' ' ' VAL . 14.2 p -167.27 150.62 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 42.009999999999998 111.142 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' I' I ' 40' ' ' VAL . . . . . 0.471 HG22 ' HA ' ' H' ' 40' ' ' VAL . 35.9 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 73.420000000000002 111.104 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.83 0.348 . . . . 64.129999999999995 110.883 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.03 102.23 6.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 73.540000000000006 111.105 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -65.38 -34.02 77.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 73.530000000000001 110.858 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' J' J ' 4' ' ' PHE . . . . . 0.638 ' CZ ' ' HB2' ' E' ' 30' ' ' ALA . 6.4 m-85 -148.52 113.73 5.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 64.5 110.877 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -130.35 107.08 8.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 74.319999999999993 110.894 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -118.55 108.68 15.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 70.120000000000005 110.886 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -108.55 101.82 10.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 72.209999999999994 110.872 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 45.4 m -148.14 169.63 19.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 64.099999999999994 110.876 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.26 -5.98 45.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.704 -0.76 . . . . 51.299999999999997 112.44 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -171.88 115.21 0.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 65.420000000000002 110.959 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.33 123.13 37.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 61.200000000000003 110.874 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 91.3 t -130.07 115.03 31.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 71.140000000000001 111.106 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -125.79 133.42 52.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 73.329999999999998 110.867 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -134.29 124.25 25.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 74.109999999999999 110.86 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -132.54 132.66 42.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 73.200000000000003 110.925 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' J' J ' 16' ' ' LYS . . . . . 0.555 ' O ' HD22 ' J' ' 17' ' ' LEU . 10.7 tttp -126.76 121.1 31.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 72.120000000000005 110.942 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' J' J ' 17' ' ' LEU . . . . . 0.555 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.0 mm? -127.72 100.25 5.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 74.450000000000003 110.903 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 59.5 t -104.9 119.62 54.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 70.129999999999995 111.133 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' J' J ' 19' ' ' PHE . . . . . 0.511 ' HE1' HD12 ' J' ' 17' ' ' LEU . 3.5 m-30 -102.54 96.4 6.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 75.549999999999997 110.864 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' J' J ' 20' ' ' PHE . . . . . 0.509 ' C ' ' O ' ' J' ' 19' ' ' PHE . 12.2 p90 28.98 74.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 61.130000000000003 110.899 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.52 146.75 28.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 51.210000000000001 111.101 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 24.4 t0 62.72 68.95 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 72.129999999999995 110.886 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' J' J ' 24' ' ' VAL . . . . . 0.797 HG23 HG13 ' I' ' 24' ' ' VAL . 3.9 p -110.32 141.2 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 61.210000000000001 111.1 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.91 -47.07 91.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 52.299999999999997 112.484 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 11.0 m -160.39 125.14 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.362 . . . . 52.409999999999997 110.847 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' J' J ' 27' ' ' ASN . . . . . 0.402 ' CG ' HG11 ' J' ' 24' ' ' VAL . 24.1 m-20 -100.29 102.49 13.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 72.409999999999997 110.937 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.58 152.88 29.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 65.230000000000004 110.871 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' J' J ' 29' ' ' GLY . . . . . 0.422 ' HA2' ' HA ' ' E' ' 3' ' ' GLU . . . 71.78 -135.54 23.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 71.439999999999998 112.491 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' J' J ' 30' ' ' ALA . . . . . 0.61 ' HB2' ' CE1' ' E' ' 4' ' ' PHE . . . -102.9 113.44 26.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.787 0.327 . . . . 65.430000000000007 111.098 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' J' J ' 31' ' ' ILE . . . . . 0.481 ' N ' HD13 ' J' ' 31' ' ' ILE . 0.0 OUTLIER -115.32 113.94 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 74.209999999999994 111.107 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' J' J ' 32' ' ' ILE . . . . . 0.547 HG21 ' HG3' ' J' ' 35' ' ' MET . 3.4 mt -128.67 121.0 53.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 72.349999999999994 111.108 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.03 -48.76 81.2 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 61.310000000000002 112.44 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' J' J ' 34' ' ' LEU . . . . . 0.847 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -152.92 147.8 26.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.828 0.347 . . . . 72.310000000000002 110.899 -179.9 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' J' J ' 35' ' ' MET . . . . . 0.547 ' HG3' HG21 ' J' ' 32' ' ' ILE . 5.0 mtp -133.6 120.27 20.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 51.439999999999998 110.873 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' J' J ' 36' ' ' VAL . . . . . 0.724 HG21 HG11 ' E' ' 36' ' ' VAL . 94.8 t -138.08 111.63 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 74.230000000000004 111.117 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.81 20.84 62.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 70.310000000000002 112.464 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.93 -171.31 35.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.723 -0.751 . . . . 72.25 112.509 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' J' J ' 39' ' ' VAL . . . . . 0.83 HG23 HG13 ' I' ' 39' ' ' VAL . 14.6 p -167.1 149.66 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 73.439999999999998 111.094 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' J' J ' 40' ' ' VAL . . . . . 0.459 HG22 ' HA ' ' I' ' 40' ' ' VAL . 31.2 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 73.120000000000005 111.145 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.824 0.345 . . . . 75.439999999999998 110.875 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.03 77.35 3.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 73.409999999999997 111.076 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.404 ' CB ' ' HA2' ' F' ' 29' ' ' GLY . 0.2 OUTLIER -51.87 -43.18 63.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 72.219999999999999 110.866 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.415 ' CE1' ' HB3' ' F' ' 30' ' ' ALA . 0.3 OUTLIER -168.76 116.51 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 72.230000000000004 110.904 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -111.45 108.48 18.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 75.430000000000007 110.853 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -98.1 109.34 22.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 73.230000000000004 110.85 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -118.08 101.44 8.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 65.319999999999993 110.871 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.8 m -149.46 175.93 11.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 72.530000000000001 110.812 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.57 -9.2 33.69 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.777 -0.725 . . . . 63.350000000000001 112.502 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.34 114.75 0.31 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.887 0.375 . . . . 72.420000000000002 110.965 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -107.0 119.84 40.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 74.430000000000007 110.904 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.0 t -126.13 113.27 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 75.329999999999998 111.175 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.7 m-70 -115.12 114.51 25.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 74.319999999999993 110.84 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -130.41 126.01 35.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 72.340000000000003 110.847 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.418 ' OE1' HG12 ' F' ' 39' ' ' VAL . 19.1 pt20 -123.92 134.2 53.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 64.510000000000005 110.922 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.437 ' O ' HD22 ' A' ' 17' ' ' LEU . 6.7 tptm -124.87 121.77 35.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 52.140000000000001 110.872 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.657 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.5 mm? -122.91 102.06 7.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 55.210000000000001 110.885 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.504 HG12 ' HB2' ' A' ' 21' ' ' ALA . 66.4 t -111.77 117.03 54.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 63.450000000000003 111.161 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.608 ' CE2' HD23 ' B' ' 34' ' ' LEU . 4.6 m-85 -113.69 137.74 51.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 60.229999999999997 110.899 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.455 ' HZ ' HG22 ' A' ' 31' ' ' ILE . 1.7 m-85 63.25 53.81 2.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 74.349999999999994 110.882 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.504 ' HB2' HG12 ' A' ' 18' ' ' VAL . . . -93.15 108.87 20.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 31.32 111.079 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 53.1 t0 63.57 103.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 75.439999999999998 110.891 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.511 HG11 ' OD1' ' A' ' 27' ' ' ASN . 21.3 t -131.39 133.75 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 72.219999999999999 111.159 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.2 -40.55 81.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 63.329999999999998 112.491 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.75 125.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.856 0.36 . . . . 55.229999999999997 110.887 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.511 ' OD1' HG11 ' A' ' 24' ' ' VAL . 81.3 m-20 -102.77 111.01 23.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 62.32 110.874 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -113.42 165.01 12.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 74.239999999999995 110.903 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.94 -133.74 27.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 71.409999999999997 112.503 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.677 ' O ' HD13 ' A' ' 31' ' ' ILE . . . -97.16 117.39 31.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.702 0.286 . . . . 75.530000000000001 111.129 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.677 HD13 ' O ' ' A' ' 30' ' ' ALA . 25.7 mm -129.68 131.73 66.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 51.030000000000001 111.117 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.611 HG21 ' HB2' ' A' ' 35' ' ' MET . 2.9 mp -125.89 112.46 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.129999999999995 111.133 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.65 -17.83 79.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 64.329999999999998 112.448 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.723 HD12 HD22 ' B' ' 34' ' ' LEU . 3.0 tm? -171.73 109.65 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.822 0.344 . . . . 65.420000000000002 110.914 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.611 ' HB2' HG21 ' A' ' 32' ' ' ILE . 2.4 ttp -117.29 125.18 50.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 71.349999999999994 110.844 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.46 HG23 ' CD1' ' A' ' 34' ' ' LEU . 58.0 t -122.46 112.64 35.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 75.420000000000002 111.143 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.74 30.63 44.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.756 . . . . 51.240000000000002 112.477 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.15 -178.91 21.39 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 72.329999999999998 112.506 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.877 HG13 HG23 ' B' ' 39' ' ' VAL . 5.9 p -157.88 140.01 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.372 . . . . 64.129999999999995 111.154 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.594 HG12 HG22 ' B' ' 40' ' ' VAL . 19.1 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 63.509999999999998 111.17 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.861 0.362 . . . . 64.540000000000006 110.824 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.86 80.05 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 65.219999999999999 111.089 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.63 -37.15 26.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 60.240000000000002 110.87 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.42 ' CE1' ' HB3' ' G' ' 30' ' ' ALA . 0.3 OUTLIER -168.59 116.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 60.32 110.887 -179.878 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -112.04 108.36 17.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 71.329999999999998 110.853 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.407 ' CE1' ' HG3' ' B' ' 11' ' ' GLU . 22.8 t-80 -97.75 109.51 22.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 62.420000000000002 110.873 -179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -117.25 101.1 8.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 61.240000000000002 110.851 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -148.65 175.6 11.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 64.409999999999997 110.848 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.2 -9.62 33.61 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.693 -0.765 . . . . 74.219999999999999 112.465 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.51 114.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 74.329999999999998 110.862 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.407 ' HG3' ' CE1' ' B' ' 6' ' ' HIS . 2.9 tt0 -106.75 119.52 39.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 72.319999999999993 110.916 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -125.25 113.31 34.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 62.149999999999999 111.164 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 54.8 m170 -115.58 115.68 26.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 63.229999999999997 110.827 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -131.09 127.61 38.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 65.140000000000001 110.912 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.422 ' OE1' HG12 ' G' ' 39' ' ' VAL . 19.6 pt20 -125.06 134.06 52.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 62.240000000000002 110.921 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.527 ' O ' HD22 ' B' ' 17' ' ' LEU . 6.7 tptm -124.29 122.65 38.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 75.530000000000001 110.928 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.657 HD13 ' HB2' ' A' ' 17' ' ' LEU . 4.5 mm? -125.34 101.68 7.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 74.409999999999997 110.927 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.518 HG12 ' HB2' ' B' ' 21' ' ' ALA . 60.9 t -110.58 118.1 56.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 60.350000000000001 111.126 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.659 ' CE2' HD23 ' C' ' 34' ' ' LEU . 3.7 m-85 -113.52 134.01 54.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 71.340000000000003 110.863 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.504 ' HZ ' HG22 ' B' ' 31' ' ' ILE . 2.9 m-85 62.39 57.44 1.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 63.450000000000003 110.901 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.518 ' HB2' HG12 ' B' ' 18' ' ' VAL . . . -94.27 107.62 19.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 74.140000000000001 111.076 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 52.8 t0 62.84 104.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 52.219999999999999 110.898 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.476 HG11 ' ND2' ' B' ' 27' ' ' ASN . 21.2 t -130.83 134.01 62.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 72.310000000000002 111.09 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.59 -41.75 83.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.738 -0.744 . . . . 75.230000000000004 112.484 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.58 122.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 75.209999999999994 110.87 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.476 ' ND2' HG11 ' B' ' 24' ' ' VAL . 80.3 m-20 -102.15 112.04 24.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 53.520000000000003 110.924 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -112.31 165.57 12.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 73.540000000000006 110.913 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.95 -133.08 28.04 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 34.43 112.473 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.728 ' O ' HD13 ' B' ' 31' ' ' ILE . . . -97.19 119.11 35.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.745 0.307 . . . . 52.130000000000003 111.093 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.728 HD13 ' O ' ' B' ' 30' ' ' ALA . 25.9 mm -130.71 129.95 64.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 74.109999999999999 111.129 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.611 HG21 ' HB2' ' B' ' 35' ' ' MET . 2.9 mp -124.7 113.22 35.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 75.129999999999995 111.118 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.8 -15.23 78.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.73 -0.748 . . . . 45.32 112.522 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.87 HD12 HD22 ' C' ' 34' ' ' LEU . 3.2 tm? -171.28 108.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 73.140000000000001 110.877 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.611 ' HB2' HG21 ' B' ' 32' ' ' ILE . 2.5 ttp -118.04 123.9 46.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 75.450000000000003 110.846 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.434 HG23 ' CD1' ' B' ' 34' ' ' LEU . 63.3 t -122.52 112.96 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 60.109999999999999 111.112 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.21 31.75 34.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 54.210000000000001 112.479 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.97 -178.79 21.49 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 35.100000000000001 112.499 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.885 HG13 HG23 ' C' ' 39' ' ' VAL . 5.1 p -157.4 138.86 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.953 0.406 . . . . 74.25 111.058 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.594 HG22 HG12 ' A' ' 40' ' ' VAL . 19.3 m . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 60.340000000000003 111.129 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.836 0.35 . . . . 64.540000000000006 110.836 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.23 78.92 3.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 51.229999999999997 111.118 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.52 -35.88 31.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 65.530000000000001 110.841 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -169.42 116.59 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 73.25 110.894 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -112.19 107.41 16.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 73.150000000000006 110.869 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 6' ' ' HIS . . . . . 0.407 ' CE1' ' HG3' ' C' ' 11' ' ' GLU . 20.9 t-80 -96.48 109.36 21.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 73.239999999999995 110.802 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -118.56 100.44 7.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 71.150000000000006 110.879 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -148.4 175.64 10.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 71.519999999999996 110.895 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.77 -9.96 33.88 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.706 -0.759 . . . . 32.520000000000003 112.477 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 10' ' ' TYR . . . . . 0.402 ' CE1' HG22 ' C' ' 12' ' ' VAL . 1.0 OUTLIER -172.49 115.0 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 65.340000000000003 110.925 -179.83 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 0.407 ' HG3' ' CE1' ' C' ' 6' ' ' HIS . 3.1 tt0 -107.29 119.67 40.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 74.349999999999994 110.912 179.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.402 HG22 ' CE1' ' C' ' 10' ' ' TYR . 21.3 t -124.93 113.46 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.109999999999999 111.167 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -115.87 114.81 25.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 64.120000000000005 110.873 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 10.3 m80 -129.8 128.22 41.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 75.219999999999999 110.847 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 15' ' ' GLN . . . . . 0.507 ' OE1' HG12 ' H' ' 39' ' ' VAL . 19.4 pt20 -126.35 133.78 51.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 63.439999999999998 110.96 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.591 ' O ' HD22 ' C' ' 17' ' ' LEU . 6.4 tptm -123.71 124.06 41.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 62.340000000000003 110.875 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.639 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.5 mm? -127.52 102.39 6.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 73.310000000000002 110.921 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.555 ' CG1' ' HB2' ' C' ' 21' ' ' ALA . 58.0 t -111.04 119.63 60.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 73.319999999999993 111.122 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.682 ' CE2' HD23 ' D' ' 34' ' ' LEU . 3.0 m-85 -112.78 132.82 55.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 65.510000000000005 110.854 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.492 ' CZ ' HG22 ' C' ' 31' ' ' ILE . 3.5 m-85 60.87 59.48 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 53.020000000000003 110.907 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.555 ' HB2' ' CG1' ' C' ' 18' ' ' VAL . . . -94.95 107.45 19.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 62.409999999999997 111.082 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 52.0 t0 62.15 102.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 64.329999999999998 110.907 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.5 HG11 ' ND2' ' C' ' 27' ' ' ASN . 21.5 t -129.5 133.97 64.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 63.450000000000003 111.099 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.99 -42.05 86.09 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.768 -0.73 . . . . 75.430000000000007 112.493 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.54 122.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 44.240000000000002 110.871 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.5 ' ND2' HG11 ' C' ' 24' ' ' VAL . 79.6 m-20 -102.33 112.71 25.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 72.540000000000006 110.904 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.401 ' O ' HD11 ' C' ' 31' ' ' ILE . 1.1 tptp -112.58 165.66 12.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 55.109999999999999 110.904 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.86 -133.56 27.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.714 -0.755 . . . . 64.230000000000004 112.493 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.728 ' O ' HD13 ' C' ' 31' ' ' ILE . . . -96.94 118.91 34.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.756 0.312 . . . . 44.210000000000001 111.089 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.728 HD13 ' O ' ' C' ' 30' ' ' ALA . 25.9 mm -130.45 128.82 64.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 64.310000000000002 111.104 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.59 HG21 ' HB2' ' C' ' 35' ' ' MET . 3.0 mp -123.92 112.12 31.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 74.519999999999996 111.172 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -82.71 -13.24 78.51 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 54.020000000000003 112.518 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.941 HD12 HD22 ' D' ' 34' ' ' LEU . 3.3 tm? -169.76 107.47 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.801 0.334 . . . . 71.319999999999993 110.89 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.59 ' HB2' HG21 ' C' ' 32' ' ' ILE . 2.5 ttp -118.66 123.26 44.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 72.319999999999993 110.851 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.403 HG23 ' CD1' ' C' ' 34' ' ' LEU . 68.3 t -123.58 111.93 31.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 62.350000000000001 111.161 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.74 31.69 31.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.759 -0.734 . . . . 72.340000000000003 112.48 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.4 -178.84 21.85 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 71.510000000000005 112.489 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.912 HG13 HG23 ' D' ' 39' ' ' VAL . 4.4 p -156.89 139.01 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.877 0.37 . . . . 53.43 111.107 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.547 HG22 HG12 ' B' ' 40' ' ' VAL . 19.0 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 71.430000000000007 111.128 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.819 0.343 . . . . 74.319999999999993 110.865 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.02 81.08 3.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 73.109999999999999 111.113 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.24 -37.27 34.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 73.450000000000003 110.892 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -169.43 116.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 45.420000000000002 110.866 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -111.33 107.55 16.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 43.130000000000003 110.866 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -96.26 108.85 21.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 44.009999999999998 110.825 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -118.17 100.45 7.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 75.239999999999995 110.846 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -147.64 175.31 10.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 74.129999999999995 110.866 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.76 -10.42 35.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 45.119999999999997 112.505 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.56 114.69 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 65.420000000000002 110.97 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -107.16 120.03 41.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 74.420000000000002 110.838 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.74 113.44 36.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 73.319999999999993 111.133 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 53.7 m170 -115.98 114.93 25.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 72.409999999999997 110.876 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -130.1 129.52 43.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 75.519999999999996 110.874 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 15' ' ' GLN . . . . . 0.562 ' OE1' HG12 ' I' ' 39' ' ' VAL . 19.2 pt20 -127.4 134.66 49.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 74.120000000000005 110.917 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.65 ' O ' HD22 ' D' ' 17' ' ' LEU . 6.6 tptm -123.77 123.21 39.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 71.120000000000005 110.915 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.65 HD22 ' O ' ' D' ' 16' ' ' LYS . 4.5 mm? -128.84 102.88 6.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 74.140000000000001 110.913 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.568 ' CG1' ' HB2' ' D' ' 21' ' ' ALA . 57.3 t -112.21 121.81 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 71.519999999999996 111.149 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.642 ' CE2' HD23 ' E' ' 34' ' ' LEU . 2.2 m-85 -112.06 132.16 55.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 74.230000000000004 110.909 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.455 ' CZ ' HG22 ' D' ' 31' ' ' ILE . 4.0 m-85 59.75 60.86 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 54.119999999999997 110.904 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 21' ' ' ALA . . . . . 0.568 ' HB2' ' CG1' ' D' ' 18' ' ' VAL . . . -95.54 107.3 19.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 72.340000000000003 111.113 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 51.6 t0 61.73 102.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 73.120000000000005 110.869 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.468 HG11 ' OD1' ' D' ' 27' ' ' ASN . 21.9 t -129.68 134.66 62.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 52.109999999999999 111.167 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.3 -42.78 90.02 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 71.109999999999999 112.512 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.81 121.96 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.916 0.389 . . . . 62.520000000000003 110.834 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.468 ' OD1' HG11 ' D' ' 24' ' ' VAL . 81.0 m-20 -101.72 112.85 25.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 52.020000000000003 110.878 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.66 165.54 12.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 52.329999999999998 110.924 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.33 -132.72 29.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 60.539999999999999 112.447 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.737 ' O ' HD13 ' D' ' 31' ' ' ILE . . . -97.93 118.42 34.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 65.409999999999997 111.048 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.737 HD13 ' O ' ' D' ' 30' ' ' ALA . 25.2 mm -130.63 128.41 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 65.140000000000001 111.142 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.557 HG21 ' HB2' ' D' ' 35' ' ' MET . 3.0 mp -124.1 112.08 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 63.450000000000003 111.127 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.52 -11.84 76.75 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 64.209999999999994 112.506 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.941 HD22 HD12 ' C' ' 34' ' ' LEU . 3.4 tm? -168.06 106.8 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 64.140000000000001 110.919 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.557 ' HB2' HG21 ' D' ' 32' ' ' ILE . 2.5 ttp -120.02 122.65 41.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 72.310000000000002 110.898 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 67.8 t -124.78 111.65 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 72.450000000000003 111.14 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.92 31.47 32.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 52.450000000000003 112.433 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.63 -178.23 21.74 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 60.229999999999997 112.481 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.912 HG23 HG13 ' C' ' 39' ' ' VAL . 4.5 p -157.21 139.57 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 61.420000000000002 111.168 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.523 HG22 HG12 ' C' ' 40' ' ' VAL . 19.2 m . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 63.130000000000003 111.145 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.84 0.352 . . . . 44.119999999999997 110.866 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.48 80.13 3.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 42.039999999999999 111.118 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.16 -39.29 56.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 73.109999999999999 110.863 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -168.67 117.65 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 72.219999999999999 110.867 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -110.85 107.83 17.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 75.430000000000007 110.887 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -94.52 109.12 21.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 65.420000000000002 110.832 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -118.02 99.83 7.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 73.25 110.859 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -149.08 173.58 13.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 55.210000000000001 110.9 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.67 -9.29 38.27 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 75.120000000000005 112.482 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.23 113.37 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.83 0.348 . . . . 54.039999999999999 110.934 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -107.81 120.36 42.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 75.150000000000006 110.886 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.7 114.28 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 61.140000000000001 111.145 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 57.4 m170 -116.18 114.07 23.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 62.32 110.85 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -129.12 131.33 47.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 73.329999999999998 110.835 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 15' ' ' GLN . . . . . 0.508 ' OE1' HG12 ' J' ' 39' ' ' VAL . 19.6 pt20 -129.54 136.22 49.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 74.340000000000003 110.899 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 16' ' ' LYS . . . . . 0.664 ' O ' HD22 ' E' ' 17' ' ' LEU . 6.8 tptm -123.99 122.76 38.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 61.130000000000003 110.952 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.664 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.4 mm? -129.46 102.17 6.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 73.129999999999995 110.921 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.696 ' CG1' ' HB2' ' E' ' 21' ' ' ALA . 59.0 t -110.42 122.5 65.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 61.530000000000001 111.143 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.444 ' HE1' HD12 ' E' ' 17' ' ' LEU . 2.1 m-85 -111.45 129.85 55.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 65.409999999999997 110.903 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 58.77 60.53 2.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 64.439999999999998 110.832 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 21' ' ' ALA . . . . . 0.696 ' HB2' ' CG1' ' E' ' 18' ' ' VAL . . . -94.93 107.5 19.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 73.25 111.1 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 52.4 t0 61.52 104.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 71.319999999999993 110.851 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.499 HG11 ' ND2' ' E' ' 27' ' ' ASN . 22.0 t -130.84 134.2 62.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 64.209999999999994 111.129 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.16 -43.02 90.91 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.733 -0.746 . . . . 72.409999999999997 112.516 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.99 121.74 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.37 . . . . 71.430000000000007 110.832 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.499 ' ND2' HG11 ' E' ' 24' ' ' VAL . 81.8 m-20 -101.54 114.28 28.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 75.549999999999997 110.873 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -113.51 164.32 13.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 73.450000000000003 110.92 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.04 -131.75 28.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 75.129999999999995 112.49 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.732 ' O ' HD13 ' E' ' 31' ' ' ILE . . . -97.86 118.4 34.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.746 0.308 . . . . 60.539999999999999 111.094 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.732 HD13 ' O ' ' E' ' 30' ' ' ALA . 27.6 mm -130.88 127.04 60.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 64.219999999999999 111.146 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.489 HG21 ' HB2' ' E' ' 35' ' ' MET . 3.1 mp -125.07 111.96 29.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 64.409999999999997 111.166 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.31 -10.21 71.48 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.718 -0.753 . . . . 74.209999999999994 112.477 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.909 HD22 HD12 ' D' ' 34' ' ' LEU . 3.4 tm? -164.82 105.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 74.140000000000001 110.883 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.489 ' HB2' HG21 ' E' ' 32' ' ' ILE . 2.4 ttp -122.33 123.11 40.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 74.239999999999995 110.904 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 72.4 t -127.35 111.31 24.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 53.219999999999999 111.161 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.52 30.96 35.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.765 -0.731 . . . . 53.119999999999997 112.47 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.24 -178.41 21.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 31.399999999999999 112.477 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.911 HG23 HG13 ' D' ' 39' ' ' VAL . 5.4 p -157.0 138.95 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 64.239999999999995 111.145 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.481 HG22 HG12 ' D' ' 40' ' ' VAL . 19.4 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 75.329999999999998 111.106 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.849 0.356 . . . . 54.450000000000003 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.64 72.06 7.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 64.450000000000003 111.043 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.83 -43.12 63.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 72.109999999999999 110.895 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -167.58 115.58 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.340000000000003 110.865 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -116.19 111.49 20.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 72.25 110.85 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 61.4 t60 -97.37 110.23 22.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 71.239999999999995 110.89 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -115.7 103.84 11.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 74.530000000000001 110.885 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -149.23 175.11 11.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 65.230000000000004 110.83 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.28 -10.42 31.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 52.130000000000003 112.446 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.32 114.49 0.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 61.240000000000002 110.926 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -107.28 120.08 41.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.498 . . . . 52.329999999999998 110.871 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 21.2 t -126.7 113.45 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 65.549999999999997 111.112 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 2.6 m-70 -115.43 117.52 30.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 73.430000000000007 110.893 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m80 -131.82 126.62 34.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 63.539999999999999 110.862 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -124.63 133.63 53.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 33.240000000000002 110.923 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 16' ' ' LYS . . . . . 0.453 ' O ' HD22 ' F' ' 17' ' ' LEU . 6.9 tptm -124.82 120.21 31.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 73.349999999999994 110.899 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.593 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.4 mm? -122.85 101.67 7.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 71.430000000000007 110.925 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.512 HG12 ' HB2' ' F' ' 21' ' ' ALA . 63.4 t -112.7 117.95 56.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 73.439999999999998 111.095 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.6 ' CE2' HD23 ' G' ' 34' ' ' LEU . 4.8 m-85 -112.34 138.69 48.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 52.240000000000002 110.895 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 20' ' ' PHE . . . . . 0.422 ' HZ ' HG22 ' F' ' 31' ' ' ILE . 1.6 m-85 63.05 52.57 2.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 72.530000000000001 110.837 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 21' ' ' ALA . . . . . 0.512 ' HB2' HG12 ' F' ' 18' ' ' VAL . . . -92.94 110.89 22.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 52.450000000000003 111.056 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 51.1 t0 63.18 102.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 75.140000000000001 110.896 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.6 HG11 ' ND2' ' F' ' 27' ' ' ASN . 31.0 t -131.34 130.67 63.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 54.43 111.111 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.39 -40.52 94.54 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 31.219999999999999 112.503 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.56 122.52 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.906 0.384 . . . . 64.120000000000005 110.856 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 27' ' ' ASN . . . . . 0.6 ' ND2' HG11 ' F' ' 24' ' ' VAL . 25.2 m120 -99.06 110.05 22.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 65.310000000000002 110.884 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 28' ' ' LYS . . . . . 0.417 ' O ' HD11 ' F' ' 31' ' ' ILE . 0.9 OUTLIER -112.87 163.92 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 63.240000000000002 110.871 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' F' F ' 29' ' ' GLY . . . . . 0.404 ' HA2' ' CB ' ' A' ' 3' ' ' GLU . . . 50.17 -139.69 19.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.681 -0.771 . . . . 53.32 112.523 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.681 ' O ' HD13 ' F' ' 31' ' ' ILE . . . -91.28 118.48 30.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.764 0.316 . . . . 72.439999999999998 111.07 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.681 HD13 ' O ' ' F' ' 30' ' ' ALA . 26.1 mm -130.53 136.06 59.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 75.319999999999993 111.154 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.623 HG21 ' HB2' ' F' ' 35' ' ' MET . 2.9 mp -126.59 112.75 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 75.409999999999997 111.082 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.35 -20.54 78.75 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 52.329999999999998 112.47 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.643 HD12 HD22 ' G' ' 34' ' ' LEU . 3.0 tm? -172.11 113.01 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 73.430000000000007 110.864 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 35' ' ' MET . . . . . 0.623 ' HB2' HG21 ' F' ' 32' ' ' ILE . 2.8 ttp -119.1 123.82 45.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 65.450000000000003 110.897 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.545 HG23 ' CD1' ' F' ' 34' ' ' LEU . 58.1 t -122.18 114.2 41.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 73.540000000000006 111.155 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.06 30.23 37.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 60.310000000000002 112.461 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.74 -178.13 21.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 53.049999999999997 112.514 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.845 HG13 HG23 ' G' ' 39' ' ' VAL . 5.3 p -157.64 140.41 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.358 . . . . 75.25 111.113 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.445 HG12 HG22 ' G' ' 40' ' ' VAL . 18.8 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 71.430000000000007 111.104 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.789 0.328 . . . . 74.140000000000001 110.881 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.33 72.3 8.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 54.340000000000003 111.1 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.46 -40.41 50.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 60.32 110.897 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.29 115.1 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 73.439999999999998 110.909 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -116.53 110.85 19.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 75.409999999999997 110.848 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -95.94 109.33 21.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 74.109999999999999 110.835 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -115.31 102.11 9.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 71.129999999999995 110.877 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -147.85 174.63 11.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 60.420000000000002 110.864 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.74 -10.58 32.56 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.741 . . . . 60.43 112.481 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.5 114.4 0.29 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.852 0.358 . . . . 71.239999999999995 110.9 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -106.9 119.86 40.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 73.409999999999997 110.884 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -125.67 113.47 34.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 74.219999999999999 111.115 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 55.0 m170 -115.89 117.79 31.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 60.43 110.856 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 m80 -131.61 127.7 37.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 75.319999999999993 110.895 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 15' ' ' GLN . . . . . 0.46 ' OE1' HG12 ' B' ' 39' ' ' VAL . 19.2 pt20 -125.94 133.22 51.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 74.319999999999993 110.896 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 16' ' ' LYS . . . . . 0.561 ' O ' HD22 ' G' ' 17' ' ' LEU . 6.8 tptm -124.51 122.73 38.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 61.229999999999997 110.886 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.593 HD13 ' HB2' ' F' ' 17' ' ' LEU . 4.5 mm? -125.95 102.38 7.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 72.409999999999997 110.937 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.556 ' CG1' ' HB2' ' G' ' 21' ' ' ALA . 57.6 t -112.19 118.92 58.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 74.349999999999994 111.117 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.633 ' CE2' HD23 ' H' ' 34' ' ' LEU . 3.7 m-85 -112.78 134.02 54.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 72.120000000000005 110.87 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 0.454 ' HZ ' HG22 ' G' ' 31' ' ' ILE . 2.6 m-85 63.04 55.13 2.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 74.530000000000001 110.866 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 21' ' ' ALA . . . . . 0.556 ' HB2' ' CG1' ' G' ' 18' ' ' VAL . . . -92.59 108.45 19.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 75.230000000000004 111.057 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 52.5 t0 62.54 103.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 62.420000000000002 110.888 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.5 HG11 ' ND2' ' G' ' 27' ' ' ASN . 22.0 t -130.61 132.38 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 64.340000000000003 111.12 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.32 -41.79 94.39 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.724 . . . . 24.420000000000002 112.512 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.52 121.28 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.371 . . . . 44.119999999999997 110.849 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 27' ' ' ASN . . . . . 0.5 ' ND2' HG11 ' G' ' 24' ' ' VAL . 79.1 m-20 -99.9 111.15 23.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 75.109999999999999 110.887 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 28' ' ' LYS . . . . . 0.415 ' O ' HD11 ' G' ' 31' ' ' ILE . 1.0 OUTLIER -111.86 164.33 13.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 73.530000000000001 110.91 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.43 -137.58 24.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 40.310000000000002 112.505 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.74 ' O ' HD13 ' G' ' 31' ' ' ILE . . . -93.32 120.39 33.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.79 0.328 . . . . 64.519999999999996 111.096 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.74 HD13 ' O ' ' G' ' 30' ' ' ALA . 25.4 mm -131.76 134.39 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 75.329999999999998 111.149 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.614 HG21 ' HB2' ' G' ' 35' ' ' MET . 2.8 mp -124.28 112.67 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 74.310000000000002 111.158 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.22 -18.92 73.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.698 -0.763 . . . . 63.229999999999997 112.536 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.865 HD12 HD22 ' H' ' 34' ' ' LEU . 3.3 tm? -171.19 112.25 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 73.510000000000005 110.905 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.614 ' HB2' HG21 ' G' ' 32' ' ' ILE . 2.5 ttp -119.89 123.33 43.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 74.510000000000005 110.832 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.506 HG23 ' CD1' ' G' ' 34' ' ' LEU . 64.2 t -122.83 113.54 38.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 41.119999999999997 111.102 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.72 30.75 29.07 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 40.140000000000001 112.476 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.94 -178.28 21.54 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 61.149999999999999 112.487 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.904 HG13 HG23 ' H' ' 39' ' ' VAL . 4.3 p -157.1 140.36 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.857 0.361 . . . . 75.140000000000001 111.151 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.471 HG12 HG22 ' H' ' 40' ' ' VAL . 18.3 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.209999999999994 111.168 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 1' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' I' ' 2' ' ' ALA . 41.2 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.81 0.338 . . . . 72.209999999999994 110.864 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.81 71.62 9.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 63.420000000000002 111.134 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.51 -41.22 53.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 75.239999999999995 110.887 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.59 114.88 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 63.509999999999998 110.887 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -116.53 110.42 18.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 74.340000000000003 110.842 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -94.7 109.5 21.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 74.340000000000003 110.853 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -116.12 101.82 9.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 64.420000000000002 110.852 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -147.2 174.84 11.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 71.510000000000005 110.851 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.06 -10.18 32.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 60.340000000000003 112.489 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.36 113.8 0.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 74.310000000000002 110.959 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -106.98 119.84 40.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 65.530000000000001 110.909 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.03 113.56 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 73.219999999999999 111.139 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -116.15 116.74 28.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 73.239999999999995 110.856 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 9.9 m80 -130.77 127.85 39.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 71.239999999999995 110.845 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 15' ' ' GLN . . . . . 0.612 ' OE1' HG12 ' C' ' 39' ' ' VAL . 19.4 pt20 -127.15 133.05 50.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 75.409999999999997 110.912 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 16' ' ' LYS . . . . . 0.617 ' O ' HD22 ' H' ' 17' ' ' LEU . 6.7 tptm -123.91 123.69 40.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 71.420000000000002 110.935 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.617 HD22 ' O ' ' H' ' 16' ' ' LYS . 4.5 mm? -127.53 103.21 7.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 75.439999999999998 110.914 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.607 ' CG1' ' HB2' ' H' ' 21' ' ' ALA . 57.6 t -112.99 121.33 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 71.439999999999998 111.148 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.677 ' CE2' HD23 ' I' ' 34' ' ' LEU . 3.0 m-85 -112.91 132.81 55.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 75.209999999999994 110.882 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 20' ' ' PHE . . . . . 0.461 ' HZ ' HG22 ' H' ' 31' ' ' ILE . 3.6 m-85 61.61 56.58 2.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 72.450000000000003 110.888 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 21' ' ' ALA . . . . . 0.607 ' HB2' ' CG1' ' H' ' 18' ' ' VAL . . . -93.02 107.97 19.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 75.510000000000005 111.119 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 52.0 t0 62.1 103.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 61.210000000000001 110.887 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 24' ' ' VAL . . . . . 0.475 HG11 ' OD1' ' H' ' 27' ' ' ASN . 22.7 t -130.38 133.17 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 51.539999999999999 111.129 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.18 -41.94 96.66 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 71.430000000000007 112.504 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.65 121.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.91 0.385 . . . . 61.219999999999999 110.872 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 27' ' ' ASN . . . . . 0.475 ' OD1' HG11 ' H' ' 24' ' ' VAL . 79.7 m-20 -99.94 111.13 23.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 75.230000000000004 110.898 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 28' ' ' LYS . . . . . 0.415 ' O ' HD11 ' H' ' 31' ' ' ILE . 1.0 OUTLIER -111.82 164.05 13.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 64.129999999999995 110.897 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.97 -138.06 26.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 63.109999999999999 112.447 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 30' ' ' ALA . . . . . 0.736 ' O ' HD13 ' H' ' 31' ' ' ILE . . . -92.85 119.65 32.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 71.25 111.063 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.736 HD13 ' O ' ' H' ' 30' ' ' ALA . 25.8 mm -131.53 133.33 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 54.109999999999999 111.098 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 32' ' ' ILE . . . . . 0.599 HG21 ' HB2' ' H' ' 35' ' ' MET . 2.8 mp -123.04 111.94 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 71.549999999999997 111.105 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.75 -16.1 73.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 61.149999999999999 112.483 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.953 HD12 HD22 ' I' ' 34' ' ' LEU . 3.3 tm? -170.74 110.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.832 0.349 . . . . 40.130000000000003 110.897 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 35' ' ' MET . . . . . 0.599 ' HB2' HG21 ' H' ' 32' ' ' ILE . 2.5 ttp -119.86 122.93 42.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 72.230000000000004 110.856 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.461 HG23 ' CD1' ' H' ' 34' ' ' LEU . 66.1 t -124.13 112.39 32.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 65.209999999999994 111.134 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.45 30.13 25.51 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.753 -0.737 . . . . 53.219999999999999 112.476 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.54 -178.09 22.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.75 . . . . 71.120000000000005 112.499 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.914 HG13 HG23 ' I' ' 39' ' ' VAL . 4.1 p -157.4 139.17 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.367 . . . . 74.140000000000001 111.135 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' H' H ' 40' ' ' VAL . . . . . 0.566 HG12 HG22 ' I' ' 40' ' ' VAL . 18.8 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 71.420000000000002 111.112 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.85 0.357 . . . . 61.130000000000003 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' I' I ' 2' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' H' ' 1' ' ' ASP . . . -90.13 72.49 7.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 55.229999999999997 111.063 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.2 -42.27 60.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 74.239999999999995 110.917 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.69 115.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 72.409999999999997 110.832 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -116.23 109.52 17.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 64.430000000000007 110.858 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 20.9 t-80 -93.25 109.1 20.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 64.430000000000007 110.821 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -116.1 102.0 9.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 62.149999999999999 110.856 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -146.96 174.51 11.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 52.329999999999998 110.83 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.67 -10.3 33.36 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.69 -0.767 . . . . 44.530000000000001 112.438 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.42 113.52 0.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.834 0.35 . . . . 72.25 110.913 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -106.8 120.06 41.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 54.229999999999997 110.914 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -124.51 113.32 35.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 72.25 111.136 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 54.5 m170 -116.13 117.26 29.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 63.240000000000002 110.831 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 9.8 m80 -132.09 128.41 38.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 60.119999999999997 110.89 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 15' ' ' GLN . . . . . 0.57 ' OE1' HG12 ' D' ' 39' ' ' VAL . 19.1 pt20 -127.91 134.17 49.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 71.450000000000003 110.911 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 16' ' ' LYS . . . . . 0.662 ' O ' HD22 ' I' ' 17' ' ' LEU . 6.7 tptm -124.0 123.64 40.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 74.209999999999994 110.865 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.662 HD22 ' O ' ' I' ' 16' ' ' LYS . 4.4 mm? -128.98 103.37 6.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 73.140000000000001 110.884 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 18' ' ' VAL . . . . . 0.639 ' CG1' ' HB2' ' I' ' 21' ' ' ALA . 58.1 t -113.21 122.56 67.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 62.32 111.128 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 19' ' ' PHE . . . . . 0.657 ' CE2' HD23 ' J' ' 34' ' ' LEU . 2.4 m-85 -111.35 131.98 54.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 65.219999999999999 110.877 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 20' ' ' PHE . . . . . 0.428 ' HZ ' HG22 ' I' ' 31' ' ' ILE . 4.3 m-85 60.08 58.03 2.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 54.149999999999999 110.897 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 21' ' ' ALA . . . . . 0.639 ' HB2' ' CG1' ' I' ' 18' ' ' VAL . . . -93.22 107.97 19.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 65.140000000000001 111.098 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 52.3 t0 61.83 103.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 73.230000000000004 110.843 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.507 HG11 ' ND2' ' I' ' 27' ' ' ASN . 21.9 t -130.9 133.79 62.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 73.239999999999995 111.1 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.78 -41.85 95.46 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 60.420000000000002 112.476 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.55 121.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.384 . . . . 61.240000000000002 110.861 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 27' ' ' ASN . . . . . 0.507 ' ND2' HG11 ' I' ' 24' ' ' VAL . 79.8 m-20 -101.26 111.72 24.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 51.310000000000002 110.923 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 28' ' ' LYS . . . . . 0.408 ' O ' HD11 ' I' ' 31' ' ' ILE . 1.0 OUTLIER -112.65 164.33 13.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 52.009999999999998 110.902 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.76 -137.72 30.93 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.701 -0.762 . . . . 61.32 112.479 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.739 ' O ' HD13 ' I' ' 31' ' ' ILE . . . -93.37 119.12 32.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.753 0.311 . . . . 71.319999999999993 111.127 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.739 HD13 ' O ' ' I' ' 30' ' ' ALA . 24.6 mm -131.74 132.97 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 63.219999999999999 111.103 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 32' ' ' ILE . . . . . 0.585 HG21 ' HB2' ' I' ' 35' ' ' MET . 2.8 mp -124.12 112.24 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 73.150000000000006 111.116 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.58 -14.25 71.1 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 71.540000000000006 112.463 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.953 HD22 HD12 ' H' ' 34' ' ' LEU . 3.5 tm? -168.58 108.49 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 74.329999999999998 110.926 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 35' ' ' MET . . . . . 0.585 ' HB2' HG21 ' I' ' 32' ' ' ILE . 2.3 ttp -119.97 121.73 39.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 60.109999999999999 110.891 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 72.5 t -126.07 114.29 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 75.430000000000007 111.124 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.69 30.08 20.04 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 72.430000000000007 112.455 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.06 -178.44 22.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 62.409999999999997 112.48 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 0.927 HG13 HG23 ' J' ' 39' ' ' VAL . 4.1 p -157.45 138.0 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 53.140000000000001 111.148 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' I' I ' 40' ' ' VAL . . . . . 0.566 HG22 HG12 ' H' ' 40' ' ' VAL . 18.8 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 71.219999999999999 111.098 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.826 0.346 . . . . 40.509999999999998 110.873 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.74 77.05 6.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 73.140000000000001 111.117 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.35 -45.47 55.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 61.229999999999997 110.875 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -164.89 115.59 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 74.519999999999996 110.906 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -113.24 109.7 19.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 62.329999999999998 110.874 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -94.09 109.01 20.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 61.25 110.868 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -116.18 102.03 9.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 34.299999999999997 110.849 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -147.33 172.1 14.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 52.350000000000001 110.816 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.77 -9.65 37.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.699 -0.762 . . . . 40.109999999999999 112.486 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 10' ' ' TYR . . . . . 0.409 ' HE1' HG22 ' J' ' 12' ' ' VAL . 1.0 OUTLIER -171.7 111.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 71.430000000000007 110.894 -179.811 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -106.75 120.26 41.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 72.540000000000006 110.911 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.409 HG22 ' HE1' ' J' ' 10' ' ' TYR . 21.2 t -124.57 113.99 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 60.329999999999998 111.14 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -115.99 116.94 28.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 71.129999999999995 110.848 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 10.1 m80 -131.41 129.04 40.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 73.329999999999998 110.891 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 15' ' ' GLN . . . . . 0.501 ' OE1' HG12 ' E' ' 39' ' ' VAL . 19.2 pt20 -127.48 135.46 50.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 64.409999999999997 110.91 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 16' ' ' LYS . . . . . 0.666 ' O ' HD22 ' J' ' 17' ' ' LEU . 6.7 tptm -124.38 121.54 35.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 52.539999999999999 110.872 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.666 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.4 mm? -129.5 102.62 6.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 75.310000000000002 110.874 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.742 ' CG1' ' HB2' ' J' ' 21' ' ' ALA . 54.7 t -111.58 123.03 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 55.439999999999998 111.159 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.454 ' HE1' HD12 ' J' ' 17' ' ' LEU . 2.3 m-85 -110.37 128.81 55.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 60.43 110.899 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 59.88 59.11 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 71.140000000000001 110.875 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 21' ' ' ALA . . . . . 0.742 ' HB2' ' CG1' ' J' ' 18' ' ' VAL . . . -94.17 108.39 20.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 35.420000000000002 111.091 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 53.1 t0 61.84 104.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 73.530000000000001 110.86 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.589 HG11 ' ND2' ' J' ' 27' ' ' ASN . 23.9 t -131.49 133.09 62.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 73.239999999999995 111.136 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.86 -42.05 95.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.777 -0.725 . . . . 55.020000000000003 112.492 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.81 120.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 55.119999999999997 110.88 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 27' ' ' ASN . . . . . 0.589 ' ND2' HG11 ' J' ' 24' ' ' VAL . 79.2 m-20 -101.82 111.45 23.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 64.25 110.89 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -113.24 163.07 15.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 72.450000000000003 110.899 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.71 -136.17 37.34 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 53.039999999999999 112.496 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 0.737 ' O ' HD13 ' J' ' 31' ' ' ILE . . . -94.97 118.14 31.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 13.039999999999999 111.086 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.737 HD13 ' O ' ' J' ' 30' ' ' ALA . 23.9 mm -131.72 130.94 62.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 62.350000000000001 111.118 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 32' ' ' ILE . . . . . 0.507 HG21 ' HB2' ' J' ' 35' ' ' MET . 2.8 mp -124.79 112.35 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 64.450000000000003 111.133 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.91 -10.95 68.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.729 . . . . 71.109999999999999 112.486 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.914 HD22 HD12 ' I' ' 34' ' ' LEU . 3.4 tm? -165.88 106.82 0.72 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.333 . . . . 74.230000000000004 110.921 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 35' ' ' MET . . . . . 0.507 ' HB2' HG21 ' J' ' 32' ' ' ILE . 2.3 ttp -121.88 121.94 38.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 73.319999999999993 110.889 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 75.0 t -128.54 114.43 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 75.140000000000001 111.146 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.75 29.71 19.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 43.350000000000001 112.514 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.22 -178.57 21.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.759 . . . . 73.109999999999999 112.488 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.927 HG23 HG13 ' I' ' 39' ' ' VAL . 5.4 p -157.63 139.3 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.358 . . . . 73.519999999999996 111.113 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.518 HG22 HG12 ' I' ' 40' ' ' VAL . 19.3 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 75.540000000000006 111.1 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.782 0.325 . . . . 73.109999999999999 110.863 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.04 104.67 1.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 75.530000000000001 111.072 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.403 ' CA ' ' HA2' ' F' ' 29' ' ' GLY . 1.8 mp0 -55.26 -39.06 69.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 74.299999999999997 110.899 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' F' ' 30' ' ' ALA . 0.1 OUTLIER -149.77 114.42 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 72.219999999999999 110.833 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -133.13 108.81 9.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 75.150000000000006 110.861 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -105.31 111.94 24.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 72.409999999999997 110.817 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -113.16 101.46 9.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 74.510000000000005 110.862 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.1 t -150.26 175.6 11.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 61.140000000000001 110.865 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.34 -7.32 40.43 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.772 -0.728 . . . . 74.340000000000003 112.436 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.1 116.28 0.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.838 0.351 . . . . 75.129999999999995 110.914 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -102.46 119.74 39.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 73.430000000000007 110.91 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.2 t -133.09 114.31 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 63.420000000000002 111.147 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 40.5 m170 -123.16 116.9 24.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 74.329999999999998 110.852 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -126.4 125.21 41.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 75.430000000000007 110.849 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -118.13 132.82 56.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 72.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.516 ' O ' HD22 ' A' ' 17' ' ' LEU . 12.4 tptm -129.2 115.52 17.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 72.230000000000004 110.872 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.596 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.5 mm? -124.79 111.27 15.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 64.439999999999998 110.906 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.697 HG12 ' HB2' ' A' ' 21' ' ' ALA . 12.2 t -117.31 113.78 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 74.019999999999996 111.16 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.691 ' CE2' HD23 ' B' ' 34' ' ' LEU . 3.3 m-85 -103.7 131.83 50.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 75.120000000000005 110.917 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.541 ' CZ ' HG22 ' A' ' 31' ' ' ILE . 5.4 m-85 61.47 53.36 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 74.209999999999994 110.862 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.697 ' HB2' HG12 ' A' ' 18' ' ' VAL . . . -91.65 114.13 26.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 50.140000000000001 111.153 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 59.1 95.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 72.209999999999994 110.881 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.693 ' CG1' HG23 ' B' ' 24' ' ' VAL . 5.6 p -135.28 135.02 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 24.420000000000002 111.126 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.71 -55.52 20.07 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 74.510000000000005 112.482 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.7 m -169.33 130.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 74.329999999999998 110.883 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -97.71 102.01 13.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 73.209999999999994 110.86 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 tptp -113.98 166.05 11.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 65.200000000000003 110.926 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.29 -135.54 36.33 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.733 -0.746 . . . . 70.340000000000003 112.494 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.578 ' HB2' ' CE2' ' F' ' 4' ' ' PHE . . . -95.75 114.11 25.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 41.340000000000003 111.1 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.541 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -127.97 123.78 61.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 75.340000000000003 111.101 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.5 mt -114.65 111.22 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 73.420000000000002 111.16 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.94 -35.37 21.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 64.510000000000005 112.495 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.696 HD12 ' CD2' ' B' ' 34' ' ' LEU . 2.6 tm? -164.63 107.68 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 74.299999999999997 110.943 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.0 ttm -122.5 125.5 45.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 62.409999999999997 110.856 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.728 HG11 HG21 ' F' ' 36' ' ' VAL . 65.9 t -119.66 119.4 60.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 63.109999999999999 111.159 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.3 27.07 23.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 61.32 112.495 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.67 175.41 24.36 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.739 . . . . 71.5 112.558 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.91 HG13 HG23 ' B' ' 39' ' ' VAL . 5.6 p -152.56 143.83 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 72.109999999999999 111.127 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 73.0 111.062 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.859 0.361 . . . . 64.420000000000002 110.931 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.84 105.37 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 72.219999999999999 111.108 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -55.11 -38.34 68.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 75.140000000000001 110.875 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' G' ' 30' ' ' ALA . 0.1 OUTLIER -150.46 114.25 5.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 75.400000000000006 110.946 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -130.31 108.81 10.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 71.450000000000003 110.879 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -105.58 111.36 24.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 42.530000000000001 110.893 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -113.88 100.96 8.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 62.32 110.867 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 19.9 t -149.75 175.72 11.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 64.540000000000006 110.845 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.1 -8.14 39.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.79 -0.719 . . . . 71.230000000000004 112.487 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.4 115.28 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.884 0.373 . . . . 61.520000000000003 110.908 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -101.4 119.89 39.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 74.310000000000002 110.88 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.4 t -131.65 114.44 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 53.149999999999999 111.182 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -124.03 117.52 24.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 74.120000000000005 110.808 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -126.56 127.38 45.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 75.349999999999994 110.89 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -118.36 132.99 56.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 75.040000000000006 110.911 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.544 ' O ' HD22 ' B' ' 17' ' ' LEU . 12.6 tptm -126.46 116.31 20.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 62.399999999999999 110.913 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.621 ' HB2' HD13 ' C' ' 17' ' ' LEU . 4.5 mm? -125.29 110.65 14.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 70.030000000000001 110.901 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.723 HG12 ' HB2' ' B' ' 21' ' ' ALA . 7.5 t -117.58 114.87 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 72.150000000000006 111.115 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.701 ' CE2' HD23 ' C' ' 34' ' ' LEU . 2.4 m-85 -105.96 129.61 54.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 62.020000000000003 110.874 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.515 ' CZ ' HG22 ' B' ' 31' ' ' ILE . 6.2 m-85 61.25 54.24 3.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 75.230000000000004 110.893 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.723 ' HB2' HG12 ' B' ' 18' ' ' VAL . . . -91.36 114.65 27.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 71.209999999999994 111.117 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 58.37 95.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 44.409999999999997 110.865 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.693 HG23 ' CG1' ' A' ' 24' ' ' VAL . 4.2 p -135.45 132.66 52.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 71.519999999999996 111.103 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.98 -54.05 27.54 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.755 -0.736 . . . . 51.43 112.444 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -168.95 130.36 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.921 0.391 . . . . 71.299999999999997 110.887 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -99.64 101.1 12.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 52.229999999999997 110.894 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 tptp -114.23 166.93 11.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 51.049999999999997 110.901 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.16 -135.5 40.06 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 62.409999999999997 112.464 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.572 ' HB2' ' CE2' ' G' ' 4' ' ' PHE . . . -95.95 114.15 25.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.763 0.316 . . . . 73.400000000000006 111.1 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.515 HG22 ' CZ ' ' B' ' 20' ' ' PHE . 0.6 OUTLIER -128.48 123.64 60.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 71.430000000000007 111.137 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 26.3 mt -114.74 109.6 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 65.219999999999999 111.156 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.44 -34.86 27.67 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 70.109999999999999 112.473 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.776 HD12 ' CD2' ' C' ' 34' ' ' LEU . 3.3 tm? -162.66 107.26 1.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 75.310000000000002 110.914 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 46.2 ttm -121.92 124.13 43.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 75.099999999999994 110.934 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.597 HG21 HG11 ' G' ' 36' ' ' VAL . 65.8 t -122.21 117.72 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 71.329999999999998 111.127 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.98 26.84 28.28 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.783 -0.722 . . . . 62.210000000000001 112.49 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.38 176.27 25.29 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.773 -0.727 . . . . 72.129999999999995 112.486 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.923 HG13 HG23 ' C' ' 39' ' ' VAL . 5.1 p -152.16 143.53 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 73.409999999999997 111.092 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 75.140000000000001 111.142 179.883 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.854 0.359 . . . . 74.239999999999995 110.873 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 2' ' ' ALA . . . . . 0.432 ' HB1' ' HG2' ' C' ' 5' ' ' ARG . . . -66.96 105.29 1.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 63.229999999999997 111.112 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.404 ' CA ' ' HA2' ' H' ' 29' ' ' GLY . 1.9 mp0 -54.91 -37.33 66.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 71.209999999999994 110.862 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 4' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' H' ' 30' ' ' ALA . 0.1 OUTLIER -150.79 114.36 4.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 75.230000000000004 110.888 -179.887 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 5' ' ' ARG . . . . . 0.432 ' HG2' ' HB1' ' C' ' 2' ' ' ALA . 6.4 mmt180 -128.59 108.66 10.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 74.340000000000003 110.835 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -106.29 109.37 21.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 75.439999999999998 110.835 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -113.13 101.08 9.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 75.239999999999995 110.861 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 19.4 t -149.34 175.42 11.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 74.420000000000002 110.886 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.81 -8.2 40.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 73.439999999999998 112.48 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.47 115.41 0.31 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.817 0.342 . . . . 75.299999999999997 110.935 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -101.83 120.05 39.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 74.540000000000006 110.872 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 96.7 t -131.47 114.4 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 73.129999999999995 111.137 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 43.7 m170 -124.11 117.41 24.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 70.230000000000004 110.885 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -126.53 127.97 46.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 60.310000000000002 110.868 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -118.91 133.49 55.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 72.25 110.901 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.585 ' O ' HD22 ' C' ' 17' ' ' LEU . 12.6 tptm -124.67 116.77 22.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 72.340000000000003 110.862 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.621 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.5 mm? -126.66 109.79 12.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 64.25 110.921 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.716 HG12 ' HB2' ' C' ' 21' ' ' ALA . 9.9 t -118.29 115.79 49.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 70.200000000000003 111.115 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.688 ' CE2' HD23 ' D' ' 34' ' ' LEU . 1.9 m-85 -105.79 129.51 53.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 73.239999999999995 110.899 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.401 ' CZ ' HG22 ' C' ' 31' ' ' ILE . 6.8 m-85 60.54 55.17 3.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 65.519999999999996 110.845 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.716 ' HB2' HG12 ' C' ' 18' ' ' VAL . . . -91.69 114.11 26.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 73.230000000000004 111.105 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 58.68 96.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 73.549999999999997 110.87 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.673 HG23 ' CG1' ' B' ' 24' ' ' VAL . 4.1 p -136.28 132.16 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 74.430000000000007 111.094 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.82 -54.06 30.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 72.209999999999994 112.509 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -167.68 129.73 1.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.887 0.375 . . . . 70.099999999999994 110.85 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.4 ' OD1' HG21 ' C' ' 24' ' ' VAL . 65.9 m-20 -99.93 100.31 11.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 65.239999999999995 110.896 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.403 ' O ' HD11 ' C' ' 31' ' ' ILE . 2.3 tptp -114.53 167.4 10.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 72.239999999999995 110.892 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.83 -135.91 42.02 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 41.420000000000002 112.466 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.568 ' HB2' ' CE2' ' H' ' 4' ' ' PHE . . . -96.13 113.9 25.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.719 0.295 . . . . 71.310000000000002 111.092 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.403 HD11 ' O ' ' C' ' 28' ' ' LYS . 0.6 OUTLIER -129.02 123.87 59.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 73.040000000000006 111.133 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 24.2 mt -114.59 109.06 27.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 72.120000000000005 111.099 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.35 -33.02 29.67 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 64.5 112.504 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.84 HD12 HD22 ' D' ' 34' ' ' LEU . 3.4 tm? -161.3 106.87 1.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.859 0.361 . . . . 73.340000000000003 110.9 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 45.8 ttm -122.41 123.39 41.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 74.510000000000005 110.845 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.48 HG21 HG11 ' H' ' 36' ' ' VAL . 70.7 t -123.34 116.64 49.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 62.219999999999999 111.135 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.17 27.61 23.87 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 64.430000000000007 112.46 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.38 177.1 25.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.794 -0.717 . . . . 61.310000000000002 112.472 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.923 HG23 HG13 ' B' ' 39' ' ' VAL . 4.2 p -151.83 143.33 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.859 0.362 . . . . 71.439999999999998 111.106 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 62.420000000000002 111.134 179.942 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.828 0.347 . . . . 75.450000000000003 110.836 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 2' ' ' ALA . . . . . 0.44 ' HB1' ' HG2' ' D' ' 5' ' ' ARG . . . -66.94 105.26 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 73.439999999999998 111.144 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 3' ' ' GLU . . . . . 0.409 ' CA ' ' HA2' ' I' ' 29' ' ' GLY . 2.1 mp0 -54.74 -37.36 65.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 72.430000000000007 110.849 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 4' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' I' ' 30' ' ' ALA . 0.1 OUTLIER -151.03 114.61 4.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 64.200000000000003 110.908 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 5' ' ' ARG . . . . . 0.44 ' HG2' ' HB1' ' D' ' 2' ' ' ALA . 6.5 mmt180 -127.74 108.56 10.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 62.009999999999998 110.883 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -107.11 109.11 20.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 75.299999999999997 110.847 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -113.49 101.17 9.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 62.240000000000002 110.853 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 20.0 t -148.81 174.75 11.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 73.310000000000002 110.85 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.46 -8.11 41.33 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 73.140000000000001 112.481 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.31 115.04 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 75.420000000000002 110.958 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -101.95 120.48 40.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 74.430000000000007 110.847 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 94.1 t -131.7 114.2 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 75.25 111.177 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 44.6 m170 -124.27 116.96 23.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 63.520000000000003 110.867 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -126.67 128.23 46.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 65.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -118.84 135.13 54.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 63.439999999999998 110.903 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.631 ' O ' HD22 ' D' ' 17' ' ' LEU . 12.5 tptm -124.17 116.24 22.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 74.040000000000006 110.899 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.631 HD22 ' O ' ' D' ' 16' ' ' LYS . 4.5 mm? -128.16 108.79 10.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 73.230000000000004 110.93 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.711 HG12 ' HB2' ' D' ' 21' ' ' ALA . 12.1 t -118.18 117.37 54.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 70.129999999999995 111.114 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.653 ' CE2' HD23 ' E' ' 34' ' ' LEU . 1.6 m-85 -105.55 129.65 53.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 70.530000000000001 110.849 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 59.95 55.54 3.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 72.049999999999997 110.877 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 21' ' ' ALA . . . . . 0.711 ' HB2' HG12 ' D' ' 18' ' ' VAL . . . -92.13 114.64 27.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 74.409999999999997 111.105 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 58.24 96.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 73.439999999999998 110.849 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.669 HG23 ' CG1' ' C' ' 24' ' ' VAL . 4.4 p -136.86 130.97 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 72.230000000000004 111.118 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.87 -54.11 30.06 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 44.119999999999997 112.475 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -166.89 129.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.845 0.355 . . . . 55.229999999999997 110.918 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.459 ' OD1' HG21 ' D' ' 24' ' ' VAL . 70.7 m-20 -100.57 99.84 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 72.120000000000005 110.903 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 0.417 ' O ' HD11 ' D' ' 31' ' ' ILE . 2.7 tptp -114.77 167.48 10.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 75.540000000000006 110.904 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.4 -135.94 44.13 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.762 -0.732 . . . . 65.019999999999996 112.48 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.574 ' HB2' ' CE2' ' I' ' 4' ' ' PHE . . . -96.45 113.92 25.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.744 0.307 . . . . 45.219999999999999 111.11 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.417 HD11 ' O ' ' D' ' 28' ' ' LYS . 0.5 OUTLIER -129.69 123.7 57.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 62.100000000000001 111.12 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 24.6 mt -114.85 108.79 26.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 43.109999999999999 111.154 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.52 -31.35 27.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 51.539999999999999 112.459 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.869 HD12 HD22 ' E' ' 34' ' ' LEU . 3.4 tm? -159.63 106.43 1.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 75.540000000000006 110.907 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 44.6 ttm -124.88 122.56 37.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 63.5 110.934 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.493 HG21 HG11 ' I' ' 36' ' ' VAL . 71.7 t -123.51 116.79 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 64.129999999999995 111.11 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.91 27.94 22.77 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.775 -0.726 . . . . 20.510000000000002 112.534 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.13 177.08 26.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 75.25 112.547 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.918 HG23 HG13 ' C' ' 39' ' ' VAL . 4.7 p -151.5 143.43 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 54.310000000000002 111.138 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 74.140000000000001 111.115 179.909 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.803 0.335 . . . . 73.430000000000007 110.889 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' E' E ' 2' ' ' ALA . . . . . 0.475 ' HB1' ' HG2' ' E' ' 5' ' ' ARG . . . -67.15 105.64 1.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 62.219999999999999 111.112 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -53.77 -37.59 63.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 52.109999999999999 110.877 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 4' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' J' ' 30' ' ' ALA . 0.1 OUTLIER -151.38 115.57 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 74.540000000000006 110.916 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' E' E ' 5' ' ' ARG . . . . . 0.475 ' HG2' ' HB1' ' E' ' 2' ' ' ALA . 6.3 mmt180 -126.12 108.21 11.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 72.510000000000005 110.888 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -106.73 109.05 20.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 63.420000000000002 110.842 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -113.17 101.09 9.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 62.240000000000002 110.852 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 19.7 t -150.1 171.69 16.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 75.25 110.856 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.45 -7.15 46.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.76 . . . . 64.510000000000005 112.495 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -171.95 113.33 0.32 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.836 0.35 . . . . 74.310000000000002 110.893 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -102.91 121.29 42.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 75.420000000000002 110.875 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 93.0 t -131.25 114.9 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 51.450000000000003 111.143 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -124.07 115.25 20.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 74.420000000000002 110.875 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -125.98 128.7 47.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 71.109999999999999 110.875 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -118.49 137.46 53.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 75.129999999999995 110.937 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 16' ' ' LYS . . . . . 0.672 ' O ' HD22 ' E' ' 17' ' ' LEU . 12.6 tptm -123.74 115.45 21.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 51.350000000000001 110.876 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.672 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.4 mm? -129.55 109.03 10.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 72.209999999999994 110.897 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.734 ' CG1' ' HB2' ' E' ' 21' ' ' ALA . 5.8 t -116.73 119.34 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 64.299999999999997 111.146 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.444 ' HE1' HD12 ' E' ' 17' ' ' LEU . 1.6 m-85 -105.45 127.12 52.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 73.230000000000004 110.876 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 59.16 56.28 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 75.510000000000005 110.915 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 21' ' ' ALA . . . . . 0.734 ' HB2' ' CG1' ' E' ' 18' ' ' VAL . . . -92.04 115.47 28.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 62.020000000000003 111.096 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 57.41 96.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 71.140000000000001 110.837 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.608 HG21 ' OD1' ' E' ' 27' ' ' ASN . 4.5 p -135.81 129.38 48.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 71.129999999999995 111.128 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.23 -52.59 43.05 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.774 -0.727 . . . . 63.329999999999998 112.499 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -167.16 126.67 1.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.896 0.379 . . . . 53.350000000000001 110.799 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.608 ' OD1' HG21 ' E' ' 24' ' ' VAL . 72.3 m-20 -100.46 99.55 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 75.510000000000005 110.904 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 28' ' ' LYS . . . . . 0.421 ' O ' HD11 ' E' ' 31' ' ' ILE . 3.4 tptp -115.72 167.99 10.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 51.549999999999997 110.875 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.75 -134.71 46.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 63.130000000000003 112.474 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.585 ' HB2' ' CE2' ' J' ' 4' ' ' PHE . . . -97.31 113.72 25.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 64.530000000000001 111.062 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.421 HD11 ' O ' ' E' ' 28' ' ' LYS . 0.5 OUTLIER -130.04 123.75 56.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 75.319999999999993 111.104 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 27.0 mt -116.62 108.38 24.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 74.310000000000002 111.139 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.66 -28.03 27.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 71.430000000000007 112.513 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.869 HD22 HD12 ' D' ' 34' ' ' LEU . 3.3 tm? -158.23 105.89 1.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.815 0.341 . . . . 75.540000000000006 110.869 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 42.7 ttm -127.96 123.22 34.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 64.209999999999994 110.87 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.553 HG21 HG11 ' J' ' 36' ' ' VAL . 72.4 t -125.85 116.88 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 73.040000000000006 111.106 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.93 27.97 23.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 52.509999999999998 112.521 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.12 176.99 26.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 72.329999999999998 112.441 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.917 HG23 HG13 ' D' ' 39' ' ' VAL . 5.4 p -151.31 143.45 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 75.040000000000006 111.152 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 71.439999999999998 111.169 179.901 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.768 0.318 . . . . 64.519999999999996 110.853 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.36 105.2 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 51.409999999999997 111.119 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -54.45 -40.35 68.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 71.409999999999997 110.902 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 4' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -150.95 114.72 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 74.430000000000007 110.883 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -132.73 109.15 9.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 74.340000000000003 110.873 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -105.2 111.17 23.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 72.5 110.877 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -112.09 101.5 9.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 73.420000000000002 110.851 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 19.6 t -150.45 175.51 11.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 71.530000000000001 110.837 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.57 -7.47 39.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 62.409999999999997 112.478 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.12 116.01 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.878 0.37 . . . . 74.340000000000003 110.979 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -102.2 119.76 39.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 52.140000000000001 110.869 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 98.8 t -132.75 114.08 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 74.099999999999994 111.119 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -122.72 117.01 24.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 74.319999999999993 110.831 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -126.42 125.51 42.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 71.099999999999994 110.839 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -118.05 132.87 56.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 65.129999999999995 110.917 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 16' ' ' LYS . . . . . 0.535 ' O ' HD22 ' F' ' 17' ' ' LEU . 12.4 tptm -129.15 115.5 17.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 75.420000000000002 110.905 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.596 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.5 mm? -125.22 111.08 14.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 64.519999999999996 110.954 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.687 HG12 ' HB2' ' F' ' 21' ' ' ALA . 12.2 t -117.59 114.13 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 73.450000000000003 111.14 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.689 ' CE2' HD23 ' G' ' 34' ' ' LEU . 3.4 m-85 -104.09 131.85 50.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 74.519999999999996 110.878 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 20' ' ' PHE . . . . . 0.519 ' CZ ' HG22 ' F' ' 31' ' ' ILE . 5.3 m-85 61.12 53.76 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 75.319999999999993 110.838 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 21' ' ' ALA . . . . . 0.687 ' HB2' HG12 ' F' ' 18' ' ' VAL . . . -91.54 113.62 25.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 71.200000000000003 111.13 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 59.3 95.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 64.299999999999997 110.859 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.686 ' CG1' HG23 ' G' ' 24' ' ' VAL . 5.1 p -134.65 134.34 54.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 64.230000000000004 111.115 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.21 -55.49 21.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.706 -0.759 . . . . 75.019999999999996 112.483 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.0 m -168.18 128.82 1.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 54.420000000000002 110.874 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -97.32 101.42 12.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 74.019999999999996 110.892 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 tptp -113.32 167.24 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 70.230000000000004 110.884 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 29' ' ' GLY . . . . . 0.403 ' HA2' ' CA ' ' A' ' 3' ' ' GLU . . . 51.67 -137.58 30.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 72.439999999999998 112.451 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.566 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . . . -94.51 113.83 25.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.331 . . . . 53.409999999999997 111.058 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.519 HG22 ' CZ ' ' F' ' 20' ' ' PHE . 0.6 OUTLIER -126.99 125.21 66.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 72.129999999999995 111.136 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 26.6 mt -115.94 110.88 33.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 73.340000000000003 111.152 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.61 -36.57 22.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 52.32 112.44 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.693 HD12 ' CD2' ' G' ' 34' ' ' LEU . 2.6 tm? -164.17 107.79 0.95 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 64.219999999999999 110.927 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 46.0 ttm -122.38 124.89 44.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 73.0 110.894 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.728 HG21 HG11 ' A' ' 36' ' ' VAL . 66.8 t -118.99 119.38 60.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 75.450000000000003 111.105 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.5 26.88 24.46 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.715 -0.755 . . . . 71.109999999999999 112.534 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.21 175.52 24.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.7 -0.762 . . . . 74.409999999999997 112.486 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.92 HG13 HG23 ' G' ' 39' ' ' VAL . 5.5 p -152.68 143.68 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.381 . . . . 73.540000000000006 111.129 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 52.130000000000003 111.144 179.91 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.826 0.346 . . . . 70.049999999999997 110.888 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.62 104.95 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 64.0 111.091 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -54.54 -38.96 67.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 70.319999999999993 110.871 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 4' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' B' ' 30' ' ' ALA . 0.1 OUTLIER -151.28 114.81 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 75.129999999999995 110.904 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -130.81 108.97 10.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 73.519999999999996 110.845 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -105.23 110.12 22.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 75.510000000000005 110.857 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -112.26 100.93 9.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 64.109999999999999 110.874 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 19.8 t -149.93 175.5 11.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 74.519999999999996 110.806 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.16 -8.21 39.18 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 65.519999999999996 112.478 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.32 115.24 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 73.510000000000005 110.947 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -101.49 119.81 39.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 70.329999999999998 110.894 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 95.8 t -131.4 114.24 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 74.439999999999998 111.177 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -123.71 117.73 25.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 72.030000000000001 110.845 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -127.06 127.23 44.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 72.25 110.841 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -118.26 132.89 56.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 73.439999999999998 110.92 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 16' ' ' LYS . . . . . 0.563 ' O ' HD22 ' G' ' 17' ' ' LEU . 12.5 tptm -126.11 116.58 21.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 61.240000000000002 110.839 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.613 ' HB2' HD13 ' H' ' 17' ' ' LEU . 4.5 mm? -125.68 110.77 14.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 64.209999999999994 110.915 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.731 HG12 ' HB2' ' G' ' 21' ' ' ALA . 8.4 t -117.91 115.15 47.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 71.25 111.137 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.693 ' CE2' HD23 ' H' ' 34' ' ' LEU . 2.4 m-85 -106.11 129.64 54.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 74.109999999999999 110.886 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 0.504 ' CZ ' HG22 ' G' ' 31' ' ' ILE . 6.1 m-85 61.19 54.28 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 73.530000000000001 110.895 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 21' ' ' ALA . . . . . 0.731 ' HB2' HG12 ' G' ' 18' ' ' VAL . . . -91.14 113.98 26.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 70.540000000000006 111.114 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 58.79 96.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 54.130000000000003 110.888 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.686 HG23 ' CG1' ' F' ' 24' ' ' VAL . 4.1 p -135.01 132.08 53.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 73.129999999999995 111.139 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.61 -53.8 30.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 70.120000000000005 112.477 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -167.7 128.89 1.47 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.89 0.376 . . . . 63.43 110.904 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 -99.57 99.93 10.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 61.310000000000002 110.903 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 4.7 tptp -113.66 168.32 9.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 75.25 110.893 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.47 -137.3 34.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.696 -0.764 . . . . 44.350000000000001 112.487 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.572 ' HB2' ' CE2' ' B' ' 4' ' ' PHE . . . -94.95 113.7 25.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 54.100000000000001 111.117 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.504 HG22 ' CZ ' ' G' ' 20' ' ' PHE . 0.6 OUTLIER -127.45 124.28 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 52.219999999999999 111.139 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 26.3 mt -114.92 109.54 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 73.310000000000002 111.111 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.97 -35.5 27.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 43.329999999999998 112.486 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.76 HD12 ' CD2' ' H' ' 34' ' ' LEU . 3.3 tm? -162.79 107.4 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 73.310000000000002 110.951 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 46.4 ttm -121.93 124.18 43.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 72.25 110.913 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.597 HG11 HG21 ' B' ' 36' ' ' VAL . 67.2 t -121.57 117.67 53.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 62.119999999999997 111.161 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.99 26.91 28.54 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.778 -0.725 . . . . 54.340000000000003 112.462 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.0 176.33 25.77 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.77 -0.729 . . . . 55.219999999999999 112.459 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.92 HG23 HG13 ' F' ' 39' ' ' VAL . 4.7 p -152.06 143.49 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.362 . . . . 74.519999999999996 111.17 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 71.510000000000005 111.122 179.942 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.795 0.331 . . . . 64.340000000000003 110.864 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.34 105.07 1.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 72.400000000000006 111.075 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -54.43 -38.91 66.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 61.329999999999998 110.889 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 4' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' C' ' 30' ' ' ALA . 0.1 OUTLIER -151.09 114.76 4.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 62.399999999999999 110.863 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -129.48 108.89 10.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 73.219999999999999 110.888 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -106.04 109.05 20.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 63.329999999999998 110.812 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -112.43 101.08 9.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 71.010000000000005 110.858 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 19.2 t -149.26 175.25 11.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 73.129999999999995 110.818 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.66 -8.36 40.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 21.52 112.527 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.47 115.43 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.878 0.371 . . . . 74.549999999999997 110.897 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -101.62 120.01 39.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 44.509999999999998 110.863 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 96.8 t -131.29 114.28 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 74.010000000000005 111.146 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -124.15 117.57 24.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 75.120000000000005 110.859 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -127.02 127.28 44.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 72.239999999999995 110.873 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -118.22 133.32 56.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 74.430000000000007 110.916 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 16' ' ' LYS . . . . . 0.591 ' O ' HD22 ' H' ' 17' ' ' LEU . 12.6 tptm -124.59 116.62 22.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 74.519999999999996 110.91 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.613 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.5 mm? -126.53 109.28 11.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 63.530000000000001 110.956 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.722 HG12 ' HB2' ' H' ' 21' ' ' ALA . 10.6 t -117.92 115.97 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 60.240000000000002 111.109 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.675 ' CE2' HD23 ' I' ' 34' ' ' LEU . 1.9 m-85 -105.9 129.7 54.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 74.209999999999994 110.872 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 20' ' ' PHE . . . . . 0.417 ' CZ ' HG22 ' H' ' 31' ' ' ILE . 6.8 m-85 60.51 55.09 3.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 72.329999999999998 110.909 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 21' ' ' ALA . . . . . 0.722 ' HB2' HG12 ' H' ' 18' ' ' VAL . . . -91.43 114.04 26.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 73.150000000000006 111.128 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 58.66 96.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 72.040000000000006 110.879 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 24' ' ' VAL . . . . . 0.679 HG23 ' CG1' ' G' ' 24' ' ' VAL . 4.0 p -135.84 131.63 50.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 65.239999999999995 111.141 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.51 -53.99 32.5 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 54.109999999999999 112.488 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -166.57 128.63 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 55.130000000000003 110.837 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 27' ' ' ASN . . . . . 0.48 ' OD1' HG21 ' H' ' 24' ' ' VAL . 67.6 m-20 -100.95 99.68 10.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 74.530000000000001 110.853 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -114.24 169.23 9.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 65.349999999999994 110.857 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 29' ' ' GLY . . . . . 0.404 ' HA2' ' CA ' ' C' ' 3' ' ' GLU . . . 53.14 -137.09 37.87 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 54.399999999999999 112.489 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 30' ' ' ALA . . . . . 0.569 ' HB2' ' CE2' ' C' ' 4' ' ' PHE . . . -95.23 113.62 25.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 45.140000000000001 111.128 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.417 HG22 ' CZ ' ' H' ' 20' ' ' PHE . 0.6 OUTLIER -128.19 124.66 62.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 71.030000000000001 111.124 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 25.7 mt -115.22 108.86 26.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 64.340000000000003 111.152 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.48 -33.38 28.33 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.677 -0.773 . . . . 74.010000000000005 112.463 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.851 HD12 HD22 ' I' ' 34' ' ' LEU . 3.4 tm? -160.96 106.97 1.42 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.821 0.343 . . . . 74.319999999999993 110.919 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 46.1 ttm -122.7 123.26 40.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 53.240000000000002 110.852 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.48 HG11 HG21 ' C' ' 36' ' ' VAL . 70.1 t -122.99 116.55 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 72.209999999999994 111.145 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.31 27.67 25.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.795 -0.716 . . . . 61.520000000000003 112.417 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.13 176.91 26.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.734 . . . . 64.030000000000001 112.471 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.902 HG23 HG13 ' G' ' 39' ' ' VAL . 4.2 p -151.61 143.29 16.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 71.030000000000001 111.097 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 64.319999999999993 111.155 179.903 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.806 0.336 . . . . 64.109999999999999 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.5 104.7 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 74.400000000000006 111.06 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -54.39 -39.16 66.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 72.439999999999998 110.877 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 4' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' D' ' 30' ' ' ALA . 0.1 OUTLIER -151.13 114.98 4.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 74.230000000000004 110.89 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -129.02 108.8 10.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 75.239999999999995 110.871 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -106.32 108.85 20.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 71.150000000000006 110.829 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -112.68 101.33 9.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 73.219999999999999 110.84 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 19.2 t -149.19 174.69 12.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 71.200000000000003 110.835 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.49 -8.25 40.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 62.439999999999998 112.489 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.3 114.9 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.844 0.354 . . . . 64.439999999999998 110.952 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -101.76 120.34 40.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 71.129999999999995 110.91 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 96.4 t -131.53 114.1 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 73.200000000000003 111.1 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 41.1 m170 -124.49 117.38 24.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 74.019999999999996 110.816 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -127.25 128.13 45.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 72.430000000000007 110.815 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -118.25 134.85 54.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 73.450000000000003 110.945 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 16' ' ' LYS . . . . . 0.637 ' O ' HD22 ' I' ' 17' ' ' LEU . 12.6 tptm -124.07 116.21 22.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 72.420000000000002 110.886 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.637 HD22 ' O ' ' I' ' 16' ' ' LYS . 4.5 mm? -128.17 108.25 10.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 60.409999999999997 110.871 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 18' ' ' VAL . . . . . 0.715 HG12 ' HB2' ' I' ' 21' ' ' ALA . 12.0 t -117.69 117.5 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 52.109999999999999 111.13 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 19' ' ' PHE . . . . . 0.653 ' CE2' HD23 ' J' ' 34' ' ' LEU . 1.6 m-85 -105.61 129.58 53.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 71.040000000000006 110.892 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 59.93 55.64 3.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 62.509999999999998 110.87 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 21' ' ' ALA . . . . . 0.715 ' HB2' HG12 ' I' ' 18' ' ' VAL . . . -92.08 114.28 26.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 50.420000000000002 111.107 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 58.32 97.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 74.349999999999994 110.842 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.671 HG23 ' CG1' ' H' ' 24' ' ' VAL . 4.5 p -136.49 130.42 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 71.519999999999996 111.123 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.23 -54.09 31.22 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.77 -0.729 . . . . 52.310000000000002 112.462 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -165.78 128.2 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.889 0.376 . . . . 65.519999999999996 110.84 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 27' ' ' ASN . . . . . 0.548 ' OD1' HG21 ' I' ' 24' ' ' VAL . 71.7 m-20 -102.04 99.3 9.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 73.200000000000003 110.922 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 28' ' ' LYS . . . . . 0.42 ' O ' HD11 ' I' ' 31' ' ' ILE . 4.5 tptp -114.86 169.24 9.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 74.030000000000001 110.892 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 29' ' ' GLY . . . . . 0.409 ' HA2' ' CA ' ' D' ' 3' ' ' GLU . . . 54.43 -136.43 43.58 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 54.549999999999997 112.454 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.58 ' HB2' ' CE2' ' D' ' 4' ' ' PHE . . . -96.35 113.45 25.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 73.310000000000002 111.093 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.42 HD11 ' O ' ' I' ' 28' ' ' LYS . 0.6 OUTLIER -129.04 124.73 61.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 61.299999999999997 111.137 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 25.5 mt -115.75 108.46 25.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 41.119999999999997 111.159 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.64 -31.52 26.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 71.209999999999994 112.508 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.898 HD12 HD22 ' J' ' 34' ' ' LEU . 3.5 tm? -158.9 106.73 1.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.34 . . . . 31.199999999999999 110.907 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 43.9 ttm -125.14 122.42 37.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 72.400000000000006 110.899 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.493 HG11 HG21 ' D' ' 36' ' ' VAL . 68.5 t -123.88 116.89 49.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 72.530000000000001 111.109 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.9 27.73 22.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 51.200000000000003 112.48 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.95 176.87 26.23 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.715 -0.755 . . . . 73.420000000000002 112.454 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 0.919 HG13 HG23 ' J' ' 39' ' ' VAL . 4.6 p -151.47 143.27 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 74.209999999999994 111.127 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 75.200000000000003 111.144 179.939 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.762 0.315 . . . . 74.239999999999995 110.888 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.67 105.21 1.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 50.409999999999997 111.109 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -54.0 -39.29 65.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 72.420000000000002 110.896 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 4' ' ' PHE . . . . . 0.585 ' CE2' ' HB2' ' E' ' 30' ' ' ALA . 0.1 OUTLIER -151.54 115.4 4.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 65.340000000000003 110.921 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -128.49 108.8 10.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 73.310000000000002 110.868 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -106.39 108.94 20.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 74.319999999999993 110.893 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -112.89 101.32 9.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 52.109999999999999 110.887 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 20.2 t -149.95 171.34 16.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 75.099999999999994 110.865 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.05 -7.21 47.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 74.040000000000006 112.491 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.16 112.91 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.813 0.34 . . . . 71.329999999999998 110.89 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -101.85 120.75 40.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 73.319999999999993 110.905 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 96.3 t -131.18 114.26 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 60.210000000000001 111.115 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 42.8 m170 -124.31 115.75 21.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 74.099999999999994 110.86 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -126.5 128.58 47.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 73.319999999999993 110.83 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -117.86 137.47 52.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 71.409999999999997 110.892 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 16' ' ' LYS . . . . . 0.675 ' O ' HD22 ' J' ' 17' ' ' LEU . 12.6 tptm -124.01 115.45 21.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 74.340000000000003 110.887 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.675 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.4 mm? -129.65 108.51 10.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 73.109999999999999 110.901 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.725 HG12 ' HB2' ' J' ' 21' ' ' ALA . 5.7 t -116.41 119.43 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 65.340000000000003 111.189 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.47 ' HE1' HD12 ' J' ' 17' ' ' LEU . 1.6 m-85 -105.67 127.22 52.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 73.219999999999999 110.878 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 59.36 56.09 3.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 63.409999999999997 110.939 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 21' ' ' ALA . . . . . 0.725 ' HB2' HG12 ' J' ' 18' ' ' VAL . . . -92.29 115.7 28.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 73.140000000000001 111.131 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 57.61 97.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 61.310000000000002 110.827 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.698 HG21 ' OD1' ' J' ' 27' ' ' ASN . 4.2 p -136.36 128.38 44.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 71.430000000000007 111.125 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.43 -52.45 44.71 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.704 -0.76 . . . . 63.450000000000003 112.495 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -165.89 124.63 1.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.38 . . . . 74.129999999999995 110.851 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 27' ' ' ASN . . . . . 0.698 ' OD1' HG21 ' J' ' 24' ' ' VAL . 72.4 m-20 -101.83 98.96 9.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 75.299999999999997 110.866 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 28' ' ' LYS . . . . . 0.412 ' O ' HD11 ' J' ' 31' ' ' ILE . 4.7 tptp -116.22 170.46 8.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 73.209999999999994 110.861 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.72 -135.37 46.07 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.729 -0.748 . . . . 74.0 112.502 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 0.572 ' HB2' ' CE2' ' E' ' 4' ' ' PHE . . . -96.87 113.25 24.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.756 0.312 . . . . 43.43 111.133 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.412 HD11 ' O ' ' J' ' 28' ' ' LYS . 0.5 OUTLIER -129.84 124.9 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 74.409999999999997 111.096 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 29.4 mt -117.69 108.01 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 70.140000000000001 111.09 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.98 -27.71 27.88 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.719 -0.753 . . . . 73.219999999999999 112.51 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.898 HD22 HD12 ' I' ' 34' ' ' LEU . 3.3 tm? -157.52 106.12 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 53.329999999999998 110.951 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 41.3 ttm -127.47 122.85 34.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 75.120000000000005 110.897 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.553 HG11 HG21 ' E' ' 36' ' ' VAL . 77.1 t -126.44 116.57 45.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 62.310000000000002 111.158 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.94 27.75 22.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 62.409999999999997 112.504 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.81 177.21 26.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.752 . . . . 74.420000000000002 112.514 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.919 HG23 HG13 ' I' ' 39' ' ' VAL . 5.2 p -151.66 143.76 16.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.928 0.394 . . . . 71.310000000000002 111.086 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 71.549999999999997 111.115 179.908 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.842 0.354 . . . . 70.310000000000002 110.899 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.63 79.89 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 65.329999999999998 111.119 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.463 ' CA ' ' HA2' ' F' ' 29' ' ' GLY . 2.4 mp0 -51.78 -54.51 27.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 75.150000000000006 110.885 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.468 ' CE1' ' HB2' ' F' ' 30' ' ' ALA . 0.5 OUTLIER -137.81 115.31 11.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 64.099999999999994 110.904 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.03 108.5 13.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 74.439999999999998 110.888 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -110.1 112.81 25.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 70.109999999999999 110.845 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -121.98 101.64 7.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 72.109999999999999 110.821 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -151.83 176.88 10.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 62.240000000000002 110.875 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.83 -1.97 49.25 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.699 -0.763 . . . . 71.519999999999996 112.469 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.459 ' HD1' HG13 ' A' ' 12' ' ' VAL . 1.2 t80 -172.24 119.1 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.37 . . . . 73.209999999999994 110.914 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -109.11 118.54 37.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 72.340000000000003 110.879 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.685 HG12 HG22 ' B' ' 12' ' ' VAL . 18.8 m -135.74 132.87 51.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 55.450000000000003 111.126 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -131.67 115.74 16.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 72.150000000000006 110.861 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -124.57 119.33 28.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 73.349999999999994 110.889 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -121.35 133.72 55.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 63.030000000000001 110.913 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.44 ' O ' HD22 ' A' ' 17' ' ' LEU . 12.1 tptm -125.17 115.28 20.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 64.510000000000005 110.878 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.541 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.1 mm? -121.25 109.61 15.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 73.519999999999996 110.873 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.708 HG12 ' CG2' ' B' ' 18' ' ' VAL . 35.9 m -118.78 122.27 69.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 70.530000000000001 111.11 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.6 ' CE2' HD23 ' B' ' 34' ' ' LEU . 4.6 m-85 -117.54 131.99 56.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 73.540000000000006 110.894 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 63.46 63.54 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 74.450000000000003 110.909 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.25 113.5 27.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 72.129999999999995 111.095 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 64.67 109.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 74.25 110.88 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.66 ' CG1' HG23 ' B' ' 24' ' ' VAL . 7.2 p -151.32 133.55 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 70.140000000000001 111.143 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.79 -72.96 0.58 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.763 -0.732 . . . . 74.140000000000001 112.486 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -144.67 124.2 13.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 73.209999999999994 110.825 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.65 ' ND2' HG21 ' A' ' 24' ' ' VAL . 2.2 m120 -98.75 114.77 27.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 73.310000000000002 110.937 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -114.6 165.99 12.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 73.230000000000004 110.881 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.48 -147.07 10.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.741 . . . . 54.32 112.477 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.447 ' HB2' ' CE1' ' F' ' 4' ' ' PHE . . . -87.67 113.73 23.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.759 0.314 . . . . 63.340000000000003 111.074 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.423 ' HB ' HG23 ' B' ' 31' ' ' ILE . 0.9 OUTLIER -123.18 127.06 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 73.439999999999998 111.106 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.551 HG21 ' HB2' ' A' ' 35' ' ' MET . 3.3 mp -126.93 119.7 53.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 74.530000000000001 111.129 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.72 -29.12 27.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.756 . . . . 50.039999999999999 112.468 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.66 HD12 HD22 ' B' ' 34' ' ' LEU . 2.2 tm? -156.48 108.98 2.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.796 0.331 . . . . 53.119999999999997 110.928 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.551 ' HB2' HG21 ' A' ' 32' ' ' ILE . 2.8 ttp -123.87 128.19 49.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.0 110.88 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.3 t -115.47 112.79 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 74.409999999999997 111.113 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.3 25.24 25.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.724 -0.75 . . . . 73.319999999999993 112.498 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.05 -173.25 46.43 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 71.030000000000001 112.523 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.843 HG13 HG23 ' B' ' 39' ' ' VAL . 5.7 p -169.14 144.57 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 70.299999999999997 111.16 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.519 HG12 HG22 ' B' ' 40' ' ' VAL . 22.1 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 74.400000000000006 111.139 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.825 0.345 . . . . 63.340000000000003 110.858 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.3 79.43 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 53.350000000000001 111.122 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.43 ' CA ' ' HA2' ' G' ' 29' ' ' GLY . 2.2 mp0 -50.36 -53.47 28.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 61.210000000000001 110.881 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.52 ' CE1' ' HB2' ' G' ' 30' ' ' ALA . 0.4 OUTLIER -136.63 115.45 12.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 72.209999999999994 110.88 -179.907 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.67 109.0 14.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 75.239999999999995 110.867 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -110.0 113.21 25.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 63.420000000000002 110.859 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -122.07 101.21 7.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 74.140000000000001 110.837 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' C' ' 8' ' ' SER . 2.8 p -152.76 176.55 11.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 73.420000000000002 110.909 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.41 -3.83 47.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.725 -0.75 . . . . 73.239999999999995 112.493 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.439 ' HD1' HG13 ' B' ' 12' ' ' VAL . 1.3 t80 -172.39 116.13 0.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.855 0.36 . . . . 65.420000000000002 110.951 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -107.96 118.44 36.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 62.439999999999998 110.903 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.694 HG12 HG22 ' C' ' 12' ' ' VAL . 18.0 m -132.6 132.38 59.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 75.439999999999998 111.105 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -129.69 118.6 22.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 61.509999999999998 110.879 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 -125.84 120.46 30.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 61.25 110.879 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -123.2 133.1 54.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 73.25 110.901 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.498 ' O ' HD22 ' B' ' 17' ' ' LEU . 12.3 tptm -125.09 115.74 20.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 74.219999999999999 110.878 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.541 HD13 ' HB2' ' A' ' 17' ' ' LEU . 4.1 mm? -122.41 110.12 15.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 75.030000000000001 110.913 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.713 HG12 ' CG2' ' C' ' 18' ' ' VAL . 35.1 m -120.16 121.75 66.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 62.409999999999997 111.142 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.678 ' CE2' HD23 ' C' ' 34' ' ' LEU . 2.7 m-85 -114.92 131.36 56.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 65.109999999999999 110.861 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.412 ' HZ ' HG22 ' B' ' 31' ' ' ILE . 1.9 m-85 62.68 65.38 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 74.219999999999999 110.87 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.99 113.46 27.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 75.120000000000005 111.102 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 64.47 110.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 62.399999999999999 110.89 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.671 HG21 ' ND2' ' B' ' 27' ' ' ASN . 6.7 p -151.43 133.4 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 71.340000000000003 111.131 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.72 -72.23 0.72 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.713 -0.756 . . . . 73.200000000000003 112.511 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -144.59 124.01 13.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 60.119999999999997 110.895 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.671 ' ND2' HG21 ' B' ' 24' ' ' VAL . 2.3 m120 -98.74 115.45 28.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 73.340000000000003 110.889 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -114.95 165.79 12.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 70.129999999999995 110.886 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.7 -147.55 11.08 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.708 -0.758 . . . . 72.450000000000003 112.512 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.473 ' HB2' ' CE1' ' G' ' 4' ' ' PHE . . . -87.64 114.59 24.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.755 0.312 . . . . 55.539999999999999 111.132 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.423 HG23 ' HB ' ' A' ' 31' ' ' ILE . 0.8 OUTLIER -123.95 125.28 70.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 52.43 111.106 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.504 HG21 ' HB2' ' B' ' 35' ' ' MET . 3.3 mp -127.67 118.95 50.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 71.510000000000005 111.141 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.29 -27.9 24.08 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 64.030000000000001 112.501 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.886 HD12 HD22 ' C' ' 34' ' ' LEU . 2.6 tm? -152.37 107.56 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 44.329999999999998 110.894 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.504 ' HB2' HG21 ' B' ' 32' ' ' ILE . 2.9 ttp -124.89 125.62 44.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 72.450000000000003 110.857 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 38.3 t -115.43 112.1 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 73.409999999999997 111.146 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.3 25.48 26.35 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 65.319999999999993 112.482 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.2 -172.91 46.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.707 -0.759 . . . . 75.120000000000005 112.521 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.873 HG13 HG23 ' C' ' 39' ' ' VAL . 4.4 p -169.25 144.18 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 64.140000000000001 111.092 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.52 HG12 HG22 ' C' ' 40' ' ' VAL . 21.6 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 43.009999999999998 111.095 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.796 0.331 . . . . 72.219999999999999 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.55 78.95 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.443 . . . . 52.409999999999997 111.137 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.44 ' CA ' ' HA2' ' H' ' 29' ' ' GLY . 2.3 mp0 -51.44 -53.99 31.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 75.140000000000001 110.878 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 4' ' ' PHE . . . . . 0.505 ' CE1' ' HB2' ' H' ' 30' ' ' ALA . 0.4 OUTLIER -137.19 115.35 11.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 60.340000000000003 110.879 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.76 108.94 14.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.498 . . . . 72.230000000000004 110.839 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -110.59 112.82 24.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 71.299999999999997 110.844 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -120.58 101.29 7.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 74.420000000000002 110.893 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 8' ' ' SER . . . . . 0.435 ' O ' ' HA ' ' D' ' 8' ' ' SER . 2.8 p -152.82 176.35 11.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 73.430000000000007 110.862 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.29 -3.95 44.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 64.519999999999996 112.46 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 10' ' ' TYR . . . . . 0.409 ' HD1' HG13 ' C' ' 12' ' ' VAL . 1.3 t80 -172.41 115.59 0.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.842 0.353 . . . . 71.040000000000006 110.902 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -108.39 119.45 39.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 73.310000000000002 110.893 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.711 HG12 HG22 ' D' ' 12' ' ' VAL . 17.5 m -131.88 132.59 61.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 74.140000000000001 111.16 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -130.32 118.51 21.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 65.230000000000004 110.898 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -124.98 121.41 34.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 71.109999999999999 110.826 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -124.35 133.03 53.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 73.420000000000002 110.944 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.515 ' O ' HD22 ' C' ' 17' ' ' LEU . 12.3 tptm -124.86 115.74 21.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 71.540000000000006 110.878 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.524 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.1 mm? -122.83 110.53 15.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 64.349999999999994 110.911 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.713 ' CG2' HG12 ' B' ' 18' ' ' VAL . 35.2 m -120.95 122.56 68.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 75.219999999999999 111.078 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.702 ' CE2' HD23 ' D' ' 34' ' ' LEU . 2.3 m-85 -113.97 130.63 56.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 74.409999999999997 110.884 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.405 ' HZ ' HG22 ' C' ' 31' ' ' ILE . 2.2 m-85 62.0 66.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 64.510000000000005 110.813 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.0 114.0 27.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 74.109999999999999 111.067 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 64.46 109.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 64.519999999999996 110.842 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.693 HG21 ' ND2' ' C' ' 27' ' ' ASN . 6.5 p -151.32 133.05 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 65.329999999999998 111.103 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.39 -71.64 0.83 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 22.32 112.51 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -144.94 123.67 12.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.931 0.396 . . . . 64.319999999999993 110.855 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.693 ' ND2' HG21 ' C' ' 24' ' ' VAL . 2.2 m120 -98.24 115.82 29.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 71.150000000000006 110.878 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -114.91 165.87 12.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 73.519999999999996 110.858 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.9 -147.35 12.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 72.409999999999997 112.446 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.483 ' HB2' ' CE1' ' H' ' 4' ' ' PHE . . . -88.18 114.54 24.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 73.329999999999998 111.065 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.445 ' HB ' HG23 ' D' ' 31' ' ' ILE . 0.8 OUTLIER -123.87 124.52 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 75.120000000000005 111.171 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.486 HG21 ' HB2' ' C' ' 35' ' ' MET . 3.2 mp -127.29 117.69 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 71.530000000000001 111.104 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.48 -26.96 26.25 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 51.340000000000003 112.443 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.908 HD12 HD22 ' D' ' 34' ' ' LEU . 2.9 tm? -152.03 106.93 3.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.834 0.349 . . . . 71.230000000000004 110.937 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.486 ' HB2' HG21 ' C' ' 32' ' ' ILE . 2.9 ttp -124.54 124.67 42.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 73.030000000000001 110.865 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 39.8 t -115.63 111.47 35.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.253 -0.43 . . . . 73.140000000000001 111.089 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.95 25.48 23.85 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.743 . . . . 33.210000000000001 112.516 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.51 -172.47 45.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 31.239999999999998 112.476 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.876 HG13 HG23 ' D' ' 39' ' ' VAL . 4.4 p -169.25 144.33 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.367 . . . . 71.209999999999994 111.14 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.556 HG12 HG22 ' D' ' 40' ' ' VAL . 21.2 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 54.009999999999998 111.149 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.832 0.349 . . . . 71.200000000000003 110.88 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.23 79.45 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 75.040000000000006 111.124 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 3' ' ' GLU . . . . . 0.441 ' CA ' ' HA2' ' I' ' 29' ' ' GLY . 2.4 mp0 -52.24 -53.99 36.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 70.450000000000003 110.852 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 4' ' ' PHE . . . . . 0.522 ' CE1' ' HB2' ' I' ' 30' ' ' ALA . 0.4 OUTLIER -137.23 115.22 11.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 73.340000000000003 110.923 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.46 108.8 14.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 65.129999999999995 110.854 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -110.68 112.51 24.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 74.219999999999999 110.877 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -119.48 101.35 7.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 71.409999999999997 110.82 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 8' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' C' ' 8' ' ' SER . 2.7 p -153.38 174.96 13.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 73.310000000000002 110.889 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.01 -4.19 44.99 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.748 -0.739 . . . . 73.340000000000003 112.462 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.17 115.71 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.823 0.344 . . . . 71.420000000000002 110.922 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -110.39 120.41 42.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 75.329999999999998 110.862 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.775 HG12 HG22 ' E' ' 12' ' ' VAL . 19.7 m -131.11 132.45 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 71.219999999999999 111.12 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -130.22 117.41 19.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 64.299999999999997 110.876 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -123.4 122.0 37.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 72.120000000000005 110.894 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -124.94 133.39 53.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 71.349999999999994 110.928 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.53 ' O ' HD22 ' D' ' 17' ' ' LEU . 12.4 tptm -124.52 115.52 21.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 55.509999999999998 110.912 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.53 HD22 ' O ' ' D' ' 16' ' ' LYS . 4.0 mm? -123.48 110.74 15.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 52.399999999999999 110.889 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.712 HG12 ' CG2' ' E' ' 18' ' ' VAL . 35.3 m -121.0 123.25 69.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 53.299999999999997 111.099 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.681 ' CE2' HD23 ' E' ' 34' ' ' LEU . 2.1 m-85 -112.43 129.2 56.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 75.120000000000005 110.868 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 61.54 67.35 0.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 74.409999999999997 110.895 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.37 114.31 28.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 63.240000000000002 111.103 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 64.44 108.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 34.43 110.852 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.706 HG21 ' ND2' ' D' ' 27' ' ' ASN . 7.2 p -151.37 132.35 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 73.450000000000003 111.101 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.84 -71.42 0.87 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.765 -0.731 . . . . 34.299999999999997 112.471 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -144.56 123.58 12.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 75.540000000000006 110.868 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.706 ' ND2' HG21 ' D' ' 24' ' ' VAL . 2.2 m120 -97.97 115.57 28.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 74.310000000000002 110.894 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -114.88 165.73 12.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 71.329999999999998 110.911 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.06 -147.74 11.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 42.530000000000001 112.518 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.47 ' HB2' ' CE1' ' I' ' 4' ' ' PHE . . . -88.4 113.92 24.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.768 0.318 . . . . 71.409999999999997 111.122 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.445 HG23 ' HB ' ' C' ' 31' ' ' ILE . 0.7 OUTLIER -123.83 124.38 69.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 74.349999999999994 111.137 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.453 HG21 ' HB2' ' D' ' 35' ' ' MET . 3.3 mp -127.92 117.54 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 71.030000000000001 111.157 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.35 -26.56 25.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 33.240000000000002 112.483 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.963 HD12 HD22 ' E' ' 34' ' ' LEU . 3.1 tm? -150.19 106.26 3.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.834 0.349 . . . . 74.219999999999999 110.904 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.453 ' HB2' HG21 ' D' ' 32' ' ' ILE . 3.0 ttp -124.59 123.46 40.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 61.399999999999999 110.865 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 40.6 t -115.44 110.98 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 75.420000000000002 111.151 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.59 25.55 21.45 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.715 -0.755 . . . . 63.219999999999999 112.481 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.62 -172.03 45.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 54.340000000000003 112.476 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.876 HG23 HG13 ' C' ' 39' ' ' VAL . 4.2 p -169.22 144.22 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.911 0.386 . . . . 75.319999999999993 111.111 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.556 HG22 HG12 ' C' ' 40' ' ' VAL . 21.8 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 74.109999999999999 111.093 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.85 0.357 . . . . 74.530000000000001 110.846 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.71 82.62 1.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 74.329999999999998 111.084 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 3' ' ' GLU . . . . . 0.447 ' CA ' ' HA2' ' J' ' 29' ' ' GLY . 2.4 mp0 -51.31 -53.99 30.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 74.329999999999998 110.907 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 4' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' J' ' 30' ' ' ALA . 0.4 OUTLIER -135.52 115.7 13.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 70.450000000000003 110.885 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.3 108.21 14.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 75.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -111.22 112.95 25.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 65.430000000000007 110.854 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -117.6 100.76 7.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 65.120000000000005 110.899 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 2.7 p -155.35 170.04 22.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 73.200000000000003 110.869 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.95 -2.85 45.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 62.329999999999998 112.474 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -169.82 112.65 0.48 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.793 0.33 . . . . 62.130000000000003 110.931 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -113.29 120.08 39.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 73.200000000000003 110.906 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 12' ' ' VAL . . . . . 0.775 HG22 HG12 ' D' ' 12' ' ' VAL . 21.4 m -129.93 132.97 65.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 75.230000000000004 111.149 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -130.02 116.24 18.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 71.510000000000005 110.839 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 -120.92 121.85 38.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 64.140000000000001 110.868 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -124.17 134.34 53.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 73.140000000000001 110.944 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 16' ' ' LYS . . . . . 0.521 ' O ' HD22 ' E' ' 17' ' ' LEU . 12.3 tptm -124.66 115.3 20.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 75.230000000000004 110.926 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.521 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.2 mm? -124.4 109.27 13.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 72.010000000000005 110.907 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.712 ' CG2' HG12 ' D' ' 18' ' ' VAL . 27.2 m -119.09 123.9 72.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 71.230000000000004 111.098 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.494 ' HE1' HD12 ' E' ' 17' ' ' LEU . 1.7 m-85 -111.42 127.97 55.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 75.329999999999998 110.887 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 60.36 68.47 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 75.409999999999997 110.905 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.89 114.87 29.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 74.439999999999998 111.099 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 64.41 108.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 64.430000000000007 110.86 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.716 HG21 ' ND2' ' E' ' 27' ' ' ASN . 7.6 p -151.62 131.61 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 52.140000000000001 111.089 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.63 -71.55 0.85 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 71.129999999999995 112.49 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -144.21 123.24 12.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 41.439999999999998 110.851 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.716 ' ND2' HG21 ' E' ' 24' ' ' VAL . 2.3 m120 -97.78 115.23 27.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 75.540000000000006 110.913 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -114.75 165.34 12.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 53.43 110.886 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.13 -147.1 13.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 33.100000000000001 112.44 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.479 ' HB2' ' CE1' ' J' ' 4' ' ' PHE . . . -88.45 113.93 24.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 62.020000000000003 111.117 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -123.43 124.4 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 63.039999999999999 111.12 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.434 HG21 ' HB2' ' E' ' 35' ' ' MET . 3.2 mp -129.28 116.12 38.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 74.129999999999995 111.142 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.12 -22.91 31.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 71.5 112.481 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.963 HD22 HD12 ' D' ' 34' ' ' LEU . 3.4 tm? -151.44 106.09 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 63.229999999999997 110.899 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.434 ' HB2' HG21 ' E' ' 32' ' ' ILE . 2.9 ttp -126.09 124.77 41.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 64.400000000000006 110.902 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 29.2 t -118.55 110.22 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 72.349999999999994 111.098 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.85 24.64 27.29 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 74.209999999999994 112.519 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.13 -172.54 44.78 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.727 -0.749 . . . . 63.409999999999997 112.464 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.869 HG23 HG13 ' D' ' 39' ' ' VAL . 4.5 p -169.27 144.14 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 74.329999999999998 111.097 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.493 HG22 HG12 ' D' ' 40' ' ' VAL . 21.9 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 74.420000000000002 111.135 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.813 0.339 . . . . 34.43 110.902 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.31 79.34 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 32.210000000000001 111.1 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -51.92 -53.81 36.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 74.349999999999994 110.886 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 4' ' ' PHE . . . . . 0.447 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -137.34 115.52 11.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 55.240000000000002 110.875 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.04 109.08 14.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 72.140000000000001 110.879 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -110.25 112.02 23.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 55.009999999999998 110.835 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -121.07 101.98 8.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 61.219999999999999 110.853 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 2.7 p -151.62 176.63 11.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 60.509999999999998 110.898 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.83 -2.36 49.32 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.728 -0.749 . . . . 51.030000000000001 112.458 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 10' ' ' TYR . . . . . 0.46 ' HD1' HG13 ' F' ' 12' ' ' VAL . 1.3 t80 -172.14 118.55 0.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.883 0.373 . . . . 74.030000000000001 110.907 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -108.23 118.49 36.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 73.019999999999996 110.824 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.703 HG12 HG22 ' G' ' 12' ' ' VAL . 19.9 m -135.31 132.72 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 72.310000000000002 111.116 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -131.5 115.57 16.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 64.430000000000007 110.847 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -124.56 119.65 29.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 73.450000000000003 110.884 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -121.84 133.11 54.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 72.430000000000007 110.896 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 16' ' ' LYS . . . . . 0.443 ' O ' HD22 ' F' ' 17' ' ' LEU . 12.2 tptm -124.9 115.42 20.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 61.210000000000001 110.92 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.508 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.2 mm? -121.76 109.15 14.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 72.400000000000006 110.924 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.716 HG12 ' CG2' ' G' ' 18' ' ' VAL . 35.4 m -118.75 122.65 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 75.109999999999999 111.152 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.601 ' CE2' HD23 ' G' ' 34' ' ' LEU . 4.7 m-85 -117.66 131.3 56.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 73.230000000000004 110.871 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 63.57 64.5 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 61.210000000000001 110.885 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.27 112.68 25.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 60.219999999999999 111.121 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 64.79 110.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 72.340000000000003 110.885 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.69 HG21 ' ND2' ' F' ' 27' ' ' ASN . 7.0 p -151.07 134.23 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 75.510000000000005 111.146 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.63 -73.92 0.5 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 71.400000000000006 112.499 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -143.45 123.32 13.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.914 0.388 . . . . 63.130000000000003 110.831 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 27' ' ' ASN . . . . . 0.69 ' ND2' HG21 ' F' ' 24' ' ' VAL . 2.3 m120 -98.73 114.75 27.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 74.120000000000005 110.915 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -113.99 167.65 10.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 72.310000000000002 110.929 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 29' ' ' GLY . . . . . 0.463 ' HA2' ' CA ' ' A' ' 3' ' ' GLU . . . 50.42 -150.48 5.6 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.743 -0.741 . . . . 53.32 112.491 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.468 ' HB2' ' CE1' ' A' ' 4' ' ' PHE . . . -85.89 113.36 21.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.8 0.333 . . . . 74.519999999999996 111.07 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.41 129.4 75.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 74.420000000000002 111.11 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.55 HG21 ' HB2' ' F' ' 35' ' ' MET . 3.4 mp -127.79 119.35 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 72.150000000000006 111.171 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.92 -30.15 26.86 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.759 -0.734 . . . . 71.409999999999997 112.491 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.628 HD12 HD22 ' G' ' 34' ' ' LEU . 2.1 tm? -156.15 109.77 2.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 73.540000000000006 110.917 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 35' ' ' MET . . . . . 0.55 ' HB2' HG21 ' F' ' 32' ' ' ILE . 2.8 ttp -124.54 127.6 47.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 75.510000000000005 110.894 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 39.3 t -114.54 112.22 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 65.25 111.109 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.48 24.98 26.0 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.783 -0.723 . . . . 74.010000000000005 112.495 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.06 -173.63 47.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.783 -0.722 . . . . 62.020000000000003 112.498 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.857 HG13 HG23 ' G' ' 39' ' ' VAL . 5.7 p -169.57 145.39 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 73.120000000000005 111.165 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.489 HG12 HG22 ' G' ' 40' ' ' VAL . 22.0 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 62.119999999999997 111.16 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.814 0.34 . . . . 74.540000000000006 110.901 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.05 79.76 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.510000000000005 111.113 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -51.0 -53.26 34.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 73.450000000000003 110.908 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 4' ' ' PHE . . . . . 0.473 ' CE1' ' HB2' ' B' ' 30' ' ' ALA . 0.4 OUTLIER -136.29 115.6 12.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 72.209999999999994 110.89 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.54 108.97 14.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 74.129999999999995 110.862 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -110.02 112.71 24.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 72.450000000000003 110.839 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -121.59 101.37 7.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 73.239999999999995 110.833 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 8' ' ' SER . . . . . 0.43 ' O ' ' HA ' ' H' ' 8' ' ' SER . 2.8 p -152.76 176.32 11.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 65.400000000000006 110.832 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.49 -3.9 46.8 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.692 -0.766 . . . . 54.32 112.463 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 10' ' ' TYR . . . . . 0.432 ' HD1' HG13 ' G' ' 12' ' ' VAL . 1.3 t80 -172.44 115.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 64.129999999999995 110.913 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -107.46 118.28 36.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 75.319999999999993 110.892 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 12' ' ' VAL . . . . . 0.708 HG12 HG22 ' H' ' 12' ' ' VAL . 19.1 m -132.17 132.31 60.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 72.340000000000003 111.131 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -129.83 118.59 22.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 64.319999999999993 110.796 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -126.15 119.94 28.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 71.420000000000002 110.869 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -122.88 133.09 54.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 74.109999999999999 110.948 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 16' ' ' LYS . . . . . 0.484 ' O ' HD22 ' G' ' 17' ' ' LEU . 12.3 tptm -125.19 115.7 20.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 71.200000000000003 110.904 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.508 HD13 ' HB2' ' F' ' 17' ' ' LEU . 4.1 mm? -122.21 109.62 14.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 72.099999999999994 110.905 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.716 ' CG2' HG12 ' F' ' 18' ' ' VAL . 34.9 m -119.68 122.13 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 53.509999999999998 111.148 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.666 ' CE2' HD23 ' H' ' 34' ' ' LEU . 2.9 m-85 -115.18 131.09 57.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 63.43 110.916 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 0.421 ' HZ ' HG22 ' G' ' 31' ' ' ILE . 1.8 m-85 62.59 65.5 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 71.439999999999998 110.877 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.65 113.1 26.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 40.340000000000003 111.153 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 64.81 110.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 73.040000000000006 110.852 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.712 HG21 ' ND2' ' G' ' 27' ' ' ASN . 6.6 p -151.42 133.48 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 74.329999999999998 111.103 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.38 -72.35 0.71 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 55.530000000000001 112.493 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -143.94 124.06 13.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 74.409999999999997 110.836 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 27' ' ' ASN . . . . . 0.712 ' ND2' HG21 ' G' ' 24' ' ' VAL . 2.3 m120 -99.6 114.71 27.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 75.439999999999998 110.929 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -114.33 167.72 10.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 74.239999999999995 110.885 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 29' ' ' GLY . . . . . 0.43 ' HA2' ' CA ' ' B' ' 3' ' ' GLU . . . 50.61 -149.48 6.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.809 -0.71 . . . . 73.400000000000006 112.441 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.52 ' HB2' ' CE1' ' B' ' 4' ' ' PHE . . . -86.33 114.37 23.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.769 0.319 . . . . 75.450000000000003 111.088 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.427 ' HB ' HG23 ' H' ' 31' ' ' ILE . 0.8 OUTLIER -123.36 127.42 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 71.349999999999994 111.147 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.529 HG21 ' HB2' ' G' ' 35' ' ' MET . 3.4 mp -128.02 119.14 50.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 74.310000000000002 111.167 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.8 -29.45 20.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 61.119999999999997 112.467 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.863 HD12 HD22 ' H' ' 34' ' ' LEU . 2.7 tm? -152.96 107.96 3.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.826 0.346 . . . . 63.549999999999997 110.912 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.529 ' HB2' HG21 ' G' ' 32' ' ' ILE . 2.8 ttp -124.02 125.2 44.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 63.450000000000003 110.855 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 39.6 t -115.04 111.12 34.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 73.140000000000001 111.14 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.81 25.2 29.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 32.109999999999999 112.473 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.49 -173.37 47.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 75.209999999999994 112.483 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.879 HG13 HG23 ' H' ' 39' ' ' VAL . 4.4 p -169.55 145.17 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 73.310000000000002 111.173 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.598 HG12 HG22 ' H' ' 40' ' ' VAL . 22.0 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 73.150000000000006 111.184 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.816 0.341 . . . . 73.340000000000003 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.75 79.19 1.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 64.120000000000005 111.112 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -51.49 -53.64 35.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 72.129999999999995 110.854 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 4' ' ' PHE . . . . . 0.483 ' CE1' ' HB2' ' C' ' 30' ' ' ALA . 0.4 OUTLIER -136.78 115.56 12.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 61.229999999999997 110.846 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.57 109.01 14.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 62.009999999999998 110.881 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -110.68 111.74 23.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 74.040000000000006 110.857 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -119.99 101.53 7.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 70.040000000000006 110.813 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 8' ' ' SER . . . . . 0.439 ' O ' ' HA ' ' I' ' 8' ' ' SER . 2.7 p -153.05 176.06 12.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 72.409999999999997 110.86 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.09 -4.25 44.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.763 -0.732 . . . . 44.130000000000003 112.504 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 10' ' ' TYR . . . . . 0.406 ' HD1' HG13 ' H' ' 12' ' ' VAL . 1.3 t80 -172.41 115.68 0.32 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 54.539999999999999 110.907 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -108.26 119.15 38.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 73.540000000000006 110.882 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.71 HG12 HG22 ' I' ' 12' ' ' VAL . 18.7 m -131.44 132.58 62.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 75.219999999999999 111.129 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -130.2 118.65 21.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 71.299999999999997 110.867 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -125.41 120.32 30.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 72.349999999999994 110.87 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -123.55 132.94 54.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 72.109999999999999 110.9 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 16' ' ' LYS . . . . . 0.506 ' O ' HD22 ' H' ' 17' ' ' LEU . 12.3 tptm -124.82 115.78 21.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 73.450000000000003 110.903 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.507 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.1 mm? -122.81 109.98 14.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 74.150000000000006 110.922 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.712 ' CG2' HG12 ' G' ' 18' ' ' VAL . 34.6 m -120.53 123.02 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 71.230000000000004 111.16 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.699 ' CE2' HD23 ' I' ' 34' ' ' LEU . 2.4 m-85 -114.28 130.31 56.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 73.109999999999999 110.859 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 62.08 66.49 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 64.310000000000002 110.906 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.54 113.75 27.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 62.130000000000003 111.091 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 64.6 109.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 74.340000000000003 110.848 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 24' ' ' VAL . . . . . 0.722 HG21 ' ND2' ' H' ' 27' ' ' ASN . 6.3 p -151.52 133.02 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 53.509999999999998 111.131 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.55 -71.84 0.8 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 63.149999999999999 112.472 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -144.23 123.59 13.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.899 0.381 . . . . 64.209999999999994 110.844 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 27' ' ' ASN . . . . . 0.722 ' ND2' HG21 ' H' ' 24' ' ' VAL . 2.2 m120 -98.71 114.73 27.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 72.310000000000002 110.856 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -114.4 167.41 10.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 71.510000000000005 110.902 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 29' ' ' GLY . . . . . 0.44 ' HA2' ' CA ' ' C' ' 3' ' ' GLU . . . 50.8 -149.46 6.84 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 74.120000000000005 112.508 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 30' ' ' ALA . . . . . 0.505 ' HB2' ' CE1' ' C' ' 4' ' ' PHE . . . -86.76 114.55 23.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.754 0.312 . . . . 70.120000000000005 111.068 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.443 ' HB ' HG23 ' I' ' 31' ' ' ILE . 0.7 OUTLIER -123.84 126.18 72.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 64.120000000000005 111.137 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' H' H ' 32' ' ' ILE . . . . . 0.489 HG21 ' HB2' ' H' ' 35' ' ' MET . 3.3 mp -128.23 117.66 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 71.239999999999995 111.139 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.39 -28.4 22.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 53.439999999999998 112.545 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.924 HD12 HD22 ' I' ' 34' ' ' LEU . 2.9 tm? -151.08 107.49 3.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.347 . . . . 65.140000000000001 110.881 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 35' ' ' MET . . . . . 0.489 ' HB2' HG21 ' H' ' 32' ' ' ILE . 2.9 ttp -124.76 123.98 41.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 53.219999999999999 110.861 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 39.5 t -114.34 111.08 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 75.439999999999998 111.121 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.69 25.59 22.34 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.779 -0.724 . . . . 43.450000000000003 112.494 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.33 -172.95 47.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 44.140000000000001 112.474 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.879 HG23 HG13 ' G' ' 39' ' ' VAL . 4.5 p -169.58 145.01 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.844 0.354 . . . . 64.439999999999998 111.177 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' H' H ' 40' ' ' VAL . . . . . 0.598 HG22 HG12 ' G' ' 40' ' ' VAL . 22.4 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 72.430000000000007 111.11 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.804 0.335 . . . . 74.340000000000003 110.894 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.41 78.75 1.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 75.430000000000007 111.135 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -51.74 -53.56 38.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 43.200000000000003 110.913 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 4' ' ' PHE . . . . . 0.47 ' CE1' ' HB2' ' D' ' 30' ' ' ALA . 0.4 OUTLIER -136.43 115.39 12.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 73.140000000000001 110.827 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.22 108.92 14.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 74.340000000000003 110.867 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -111.27 111.33 22.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 65.200000000000003 110.866 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -119.05 101.52 8.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 73.230000000000004 110.864 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 8' ' ' SER . . . . . 0.439 ' HA ' ' O ' ' H' ' 8' ' ' SER . 2.7 p -153.36 174.75 13.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 42.420000000000002 110.87 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.33 -3.89 44.11 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 71.150000000000006 112.477 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.2 115.15 0.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.853 0.358 . . . . 73.549999999999997 110.913 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -109.59 120.09 41.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 64.040000000000006 110.919 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 12' ' ' VAL . . . . . 0.746 HG12 HG22 ' J' ' 12' ' ' VAL . 19.7 m -131.2 132.45 63.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 72.239999999999995 111.107 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -130.54 117.6 19.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 73.209999999999994 110.866 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -123.64 121.15 34.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 70.430000000000007 110.886 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -124.1 133.28 53.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 71.040000000000006 110.885 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 16' ' ' LYS . . . . . 0.525 ' O ' HD22 ' I' ' 17' ' ' LEU . 12.4 tptm -124.55 115.9 21.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 53.509999999999998 110.905 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.525 HD22 ' O ' ' I' ' 16' ' ' LYS . 4.1 mm? -123.69 110.32 14.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 72.329999999999998 110.955 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 18' ' ' VAL . . . . . 0.714 HG12 ' CG2' ' J' ' 18' ' ' VAL . 34.9 m -120.84 123.66 70.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 72.549999999999997 111.087 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 19' ' ' PHE . . . . . 0.686 ' CE2' HD23 ' J' ' 34' ' ' LEU . 2.2 m-85 -112.88 129.0 56.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 75.040000000000006 110.877 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 61.63 67.54 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 61.539999999999999 110.906 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.48 114.61 28.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 72.239999999999995 111.073 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 64.37 109.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 74.519999999999996 110.854 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.721 HG21 ' ND2' ' I' ' 27' ' ' ASN . 7.0 p -151.75 132.86 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 71.409999999999997 111.181 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.43 -70.89 0.98 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.749 -0.739 . . . . 73.030000000000001 112.511 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -144.63 123.27 12.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 74.420000000000002 110.828 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 27' ' ' ASN . . . . . 0.721 ' ND2' HG21 ' I' ' 24' ' ' VAL . 2.3 m120 -98.17 114.31 26.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 70.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -114.41 167.34 10.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 65.040000000000006 110.902 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 29' ' ' GLY . . . . . 0.441 ' HA2' ' CA ' ' D' ' 3' ' ' GLU . . . 51.09 -149.59 7.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 73.439999999999998 112.538 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.522 ' HB2' ' CE1' ' D' ' 4' ' ' PHE . . . -87.23 113.83 23.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.819 0.342 . . . . 72.25 111.054 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.443 HG23 ' HB ' ' H' ' 31' ' ' ILE . 0.6 OUTLIER -123.7 125.84 71.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 70.040000000000006 111.146 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' I' I ' 32' ' ' ILE . . . . . 0.457 HG21 ' HB2' ' I' ' 35' ' ' MET . 3.4 mp -128.28 117.58 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 70.200000000000003 111.162 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.52 -27.6 21.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 61.140000000000001 112.479 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.955 HD12 HD22 ' J' ' 34' ' ' LEU . 3.1 tm? -149.82 106.35 3.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 74.129999999999995 110.947 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 35' ' ' MET . . . . . 0.457 ' HB2' HG21 ' I' ' 32' ' ' ILE . 2.9 ttp -123.78 123.26 40.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 45.530000000000001 110.854 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 39.6 t -115.09 110.29 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 74.409999999999997 111.125 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.37 25.52 19.83 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 71.420000000000002 112.524 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.01 -172.48 46.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 62.439999999999998 112.478 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 0.876 HG23 HG13 ' H' ' 39' ' ' VAL . 4.5 p -169.53 145.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.912 0.387 . . . . 74.219999999999999 111.152 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' I' I ' 40' ' ' VAL . . . . . 0.52 HG22 HG12 ' H' ' 40' ' ' VAL . 21.9 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 71.420000000000002 111.125 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.824 0.345 . . . . 74.310000000000002 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.58 78.92 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 52.310000000000002 111.092 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -51.82 -53.67 37.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 70.109999999999999 110.894 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 4' ' ' PHE . . . . . 0.479 ' CE1' ' HB2' ' E' ' 30' ' ' ALA . 0.4 OUTLIER -135.67 115.63 13.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 75.120000000000005 110.887 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.79 108.54 14.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 74.219999999999999 110.871 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -111.41 111.82 23.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 63.340000000000003 110.83 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -117.91 101.11 8.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 51.32 110.861 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -155.6 169.17 24.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 73.140000000000001 110.885 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.8 -2.84 46.25 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 74.430000000000007 112.455 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -169.69 111.86 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.894 0.378 . . . . 63.140000000000001 110.895 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -112.21 120.07 40.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 71.329999999999998 110.868 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.746 HG22 HG12 ' I' ' 12' ' ' VAL . 21.6 m -130.22 132.84 64.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 62.140000000000001 111.135 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -129.81 116.71 19.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 72.109999999999999 110.811 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -121.59 121.33 37.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 74.340000000000003 110.808 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 28.9 pt20 -123.98 134.28 53.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 73.140000000000001 110.901 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 16' ' ' LYS . . . . . 0.521 ' O ' HD22 ' J' ' 17' ' ' LEU . 12.2 tptm -124.77 115.44 20.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 74.340000000000003 110.928 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.521 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.2 mm? -124.31 108.92 12.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 72.319999999999993 110.915 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.714 ' CG2' HG12 ' I' ' 18' ' ' VAL . 27.2 m -119.05 124.06 72.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 72.140000000000001 111.142 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.496 ' HE1' HD12 ' J' ' 17' ' ' LEU . 1.8 m-85 -111.6 127.5 55.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 74.140000000000001 110.866 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 60.47 68.56 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 71.409999999999997 110.917 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.85 115.33 30.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 52.130000000000003 111.145 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 64.23 108.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 74.299999999999997 110.867 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.727 HG21 ' ND2' ' J' ' 27' ' ' ASN . 7.6 p -151.6 132.56 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 73.25 111.143 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.5 -71.18 0.93 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 61.109999999999999 112.467 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -143.78 122.86 12.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.38 . . . . 72.310000000000002 110.865 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 27' ' ' ASN . . . . . 0.727 ' ND2' HG21 ' J' ' 24' ' ' VAL . 2.3 m120 -98.08 113.15 24.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 72.140000000000001 110.915 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -114.51 167.14 10.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 72.420000000000002 110.921 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 29' ' ' GLY . . . . . 0.447 ' HA2' ' CA ' ' E' ' 3' ' ' GLU . . . 51.66 -149.27 8.63 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 62.25 112.462 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 0.534 ' HB2' ' CE1' ' E' ' 4' ' ' PHE . . . -87.49 113.42 23.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.307 . . . . 63.009999999999998 111.136 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -123.23 126.5 73.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 70.540000000000006 111.117 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 32' ' ' ILE . . . . . 0.454 HG21 ' HB2' ' J' ' 35' ' ' MET . 3.4 mp -130.15 116.32 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 74.409999999999997 111.104 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.03 -24.48 27.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 55.210000000000001 112.445 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.955 HD22 HD12 ' I' ' 34' ' ' LEU . 3.4 tm? -150.75 106.05 3.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.822 0.344 . . . . 74.420000000000002 110.957 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 35' ' ' MET . . . . . 0.454 ' HB2' HG21 ' J' ' 32' ' ' ILE . 2.9 ttp -124.96 124.27 41.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 61.43 110.841 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 38.4 t -118.05 109.82 28.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 61.219999999999999 111.125 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.63 24.75 26.15 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 54.140000000000001 112.514 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.7 -173.35 45.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 22.510000000000002 112.527 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.867 HG23 HG13 ' I' ' 39' ' ' VAL . 4.4 p -169.56 145.02 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 73.040000000000006 111.101 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.438 HG22 HG12 ' I' ' 40' ' ' VAL . 22.6 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 74.519999999999996 111.146 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.796 0.331 . . . . 70.209999999999994 110.862 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.09 86.66 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 74.129999999999995 111.103 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.74 -30.13 30.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 74.519999999999996 110.953 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.646 ' CE2' ' HB2' ' F' ' 30' ' ' ALA . 0.3 OUTLIER -161.39 114.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 63.340000000000003 110.886 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -135.6 108.99 7.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 51.109999999999999 110.885 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -109.46 128.82 55.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 72.430000000000007 110.82 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -133.43 101.95 5.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 74.450000000000003 110.883 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.4 t -147.61 176.68 9.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 72.299999999999997 110.879 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.33 -10.07 56.2 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.749 . . . . 63.219999999999999 112.497 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -172.47 116.91 0.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 53.0 110.942 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -102.12 119.02 38.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 64.010000000000005 110.882 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.493 HG23 HG13 ' B' ' 12' ' ' VAL . 4.2 p -139.4 118.56 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 74.439999999999998 111.108 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -117.11 114.09 23.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 71.230000000000004 110.846 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -119.34 122.62 42.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 74.030000000000001 110.867 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.31 134.36 46.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 72.450000000000003 110.88 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -132.49 119.59 20.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 72.340000000000003 110.885 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.581 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.4 mm? -121.39 110.49 16.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 73.209999999999994 110.91 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.606 ' CG1' ' HB2' ' A' ' 21' ' ' ALA . 88.1 t -113.48 112.21 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 73.319999999999993 111.134 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.556 ' HE1' HD12 ' A' ' 17' ' ' LEU . 7.7 m-85 -104.85 105.03 14.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 52.420000000000002 110.863 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.562 ' CE2' HG22 ' A' ' 31' ' ' ILE . 0.9 OUTLIER 64.14 89.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 52.009999999999998 110.924 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.606 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . . . -116.15 132.21 56.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.492 . . . . 74.219999999999999 111.066 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 62.37 90.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 73.010000000000005 110.881 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.595 HG13 HG23 ' B' ' 24' ' ' VAL . 6.1 p -129.38 130.7 67.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 62.229999999999997 111.138 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.68 -53.1 48.13 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 64.129999999999995 112.5 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.71 129.93 6.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.868 0.366 . . . . 71.340000000000003 110.873 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.593 ' HB3' HD12 ' B' ' 31' ' ' ILE . 18.9 m120 -95.97 106.94 19.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 71.420000000000002 110.856 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.723 ' O ' HD11 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -114.67 135.79 53.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 63.399999999999999 110.908 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.78 -149.76 38.6 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 73.430000000000007 112.512 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.697 ' O ' HD13 ' A' ' 31' ' ' ILE . . . -83.83 114.3 21.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.749 0.309 . . . . 70.150000000000006 111.127 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.723 HD11 ' O ' ' A' ' 28' ' ' LYS . 5.4 mm -126.87 114.86 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 74.129999999999995 111.15 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.491 HG21 ' CG ' ' A' ' 35' ' ' MET . 6.1 mt -134.68 121.23 34.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 64.099999999999994 111.113 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.65 -44.15 68.84 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 63.130000000000003 112.508 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.703 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -173.49 148.86 1.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 64.150000000000006 110.94 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.491 ' CG ' HG21 ' A' ' 32' ' ' ILE . 59.6 mtp -128.14 123.46 34.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 72.099999999999994 110.886 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.871 HG21 HG11 ' F' ' 36' ' ' VAL . 99.9 t -118.38 114.66 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 53.43 111.117 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.29 19.81 62.38 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 51.25 112.521 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.75 -162.84 29.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 71.120000000000005 112.483 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.887 HG13 HG23 ' B' ' 39' ' ' VAL . 7.6 p -169.26 136.83 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 75.420000000000002 111.126 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.429 HG12 ' CG2' ' B' ' 40' ' ' VAL . 16.4 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 53.420000000000002 111.171 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.764 0.316 . . . . 63.100000000000001 110.881 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.47 86.92 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 30.109999999999999 111.074 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.34 -29.14 22.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.209999999999994 110.897 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.636 ' CE2' ' HB2' ' G' ' 30' ' ' ALA . 0.3 OUTLIER -161.8 114.94 1.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 72.540000000000006 110.88 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -134.57 108.61 8.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 71.239999999999995 110.861 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -109.13 128.43 55.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 65.120000000000005 110.828 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -132.69 101.77 5.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 74.530000000000001 110.917 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' C' ' 8' ' ' SER . 2.5 t -147.44 176.02 10.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 61.329999999999998 110.858 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.49 -10.45 55.63 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 72.230000000000004 112.534 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -172.37 115.07 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 72.510000000000005 110.901 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -101.31 118.63 37.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 61.240000000000002 110.842 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.493 HG13 HG23 ' A' ' 12' ' ' VAL . 3.4 p -138.33 116.97 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 41.509999999999998 111.125 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -115.72 113.56 23.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 71.25 110.897 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -118.47 123.04 44.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 74.540000000000006 110.873 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.0 133.26 45.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 73.219999999999999 110.871 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.428 ' C ' HD22 ' B' ' 17' ' ' LEU . 7.6 tptm -127.16 122.11 33.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 61.520000000000003 110.904 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.649 ' HB2' HD13 ' C' ' 17' ' ' LEU . 4.5 mm? -121.35 108.8 14.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 65.519999999999996 110.938 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.455 ' CG1' ' HB2' ' B' ' 21' ' ' ALA . 91.5 t -112.3 113.3 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 71.129999999999995 111.091 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.555 ' CE1' HD12 ' B' ' 17' ' ' LEU . 6.4 m-85 -108.73 100.94 10.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 75.430000000000007 110.888 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.592 ' CE2' HG22 ' B' ' 31' ' ' ILE . 1.0 OUTLIER 63.92 89.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 71.420000000000002 110.868 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.455 ' HB2' ' CG1' ' B' ' 18' ' ' VAL . . . -115.53 131.37 56.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 72.549999999999997 111.146 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 61.85 90.78 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 64.010000000000005 110.947 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.626 HG13 HG23 ' C' ' 24' ' ' VAL . 5.7 p -128.62 130.89 69.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 73.049999999999997 111.174 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.94 -53.02 48.61 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.73 -0.748 . . . . 60.219999999999999 112.489 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.35 130.45 6.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 71.140000000000001 110.881 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.601 ' HB3' HD12 ' C' ' 31' ' ' ILE . 19.0 m120 -96.63 106.07 18.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 72.010000000000005 110.948 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.724 ' O ' HD11 ' B' ' 31' ' ' ILE . 0.7 OUTLIER -115.1 136.43 53.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 75.310000000000002 110.895 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.59 -149.29 36.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 70.430000000000007 112.496 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.714 ' O ' HD13 ' B' ' 31' ' ' ILE . . . -84.26 114.4 21.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.725 0.297 . . . . 71.239999999999995 111.066 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.724 HD11 ' O ' ' B' ' 28' ' ' LYS . 5.0 mm -127.26 116.56 44.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 74.349999999999994 111.138 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.409 HG21 ' HG2' ' B' ' 35' ' ' MET . 5.4 mt -134.3 124.02 44.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 70.299999999999997 111.097 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.56 -42.8 77.54 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 32.399999999999999 112.529 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.76 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -172.05 150.38 2.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.825 0.345 . . . . 71.310000000000002 110.936 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.473 ' CE ' HG13 ' B' ' 40' ' ' VAL . 50.2 mtp -127.7 124.46 37.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 62.539999999999999 110.872 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.683 HG21 HG11 ' G' ' 36' ' ' VAL . 98.3 t -126.78 112.83 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 73.420000000000002 111.082 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.27 19.12 59.25 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 75.340000000000003 112.507 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.17 -163.89 29.74 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.724 -0.751 . . . . 73.129999999999995 112.446 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.887 HG23 HG13 ' A' ' 39' ' ' VAL . 7.6 p -169.19 133.33 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 62.439999999999998 111.133 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.588 HG12 ' CG2' ' C' ' 40' ' ' VAL . 16.9 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 62.409999999999997 111.095 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.789 0.328 . . . . 70.530000000000001 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.95 86.48 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 24.41 111.129 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.63 -29.2 24.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 62.219999999999999 110.891 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 4' ' ' PHE . . . . . 0.622 ' CE2' ' HB2' ' H' ' 30' ' ' ALA . 0.3 OUTLIER -162.0 114.7 1.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 64.109999999999999 110.889 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -134.0 108.55 8.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 74.420000000000002 110.908 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -109.61 128.12 55.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 65.120000000000005 110.894 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -132.39 101.71 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 73.420000000000002 110.875 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 8' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' B' ' 8' ' ' SER . 2.6 t -147.35 175.5 10.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 72.230000000000004 110.838 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.85 -9.98 55.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 61.130000000000003 112.508 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -172.41 115.38 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.859 0.362 . . . . 74.430000000000007 110.914 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -101.86 119.28 38.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 71.099999999999994 110.926 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.5 HG23 HG13 ' D' ' 12' ' ' VAL . 3.8 p -138.09 117.67 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 75.010000000000005 111.126 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -116.4 113.44 22.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 73.109999999999999 110.823 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -117.81 123.72 46.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 54.130000000000003 110.851 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.29 132.98 44.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 71.349999999999994 110.898 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.474 ' C ' HD22 ' C' ' 17' ' ' LEU . 8.0 tptm -124.94 122.38 37.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 71.109999999999999 110.873 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.657 ' HB2' HD13 ' D' ' 17' ' ' LEU . 4.5 mm? -122.9 106.6 11.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 71.420000000000002 110.919 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.437 ' CG1' ' HB2' ' C' ' 21' ' ' ALA . 91.3 t -111.83 113.46 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 72.540000000000006 111.117 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.507 ' CE1' HD12 ' C' ' 17' ' ' LEU . 4.9 m-85 -108.37 99.52 8.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 72.430000000000007 110.91 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.591 ' CE2' HG22 ' C' ' 31' ' ' ILE . 1.0 OUTLIER 63.63 90.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 74.299999999999997 110.891 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.437 ' HB2' ' CG1' ' C' ' 18' ' ' VAL . . . -116.07 130.69 56.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 75.129999999999995 111.105 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 62.03 90.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 61.009999999999998 110.853 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.647 HG13 HG23 ' D' ' 24' ' ' VAL . 6.2 p -128.18 131.22 69.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 74.010000000000005 111.145 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.4 -52.89 48.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 42.420000000000002 112.51 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.41 130.77 6.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.868 0.366 . . . . 55.43 110.874 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.618 ' HB3' HD12 ' D' ' 31' ' ' ILE . 19.2 m120 -96.74 105.61 17.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 71.450000000000003 110.906 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.738 ' O ' HD11 ' C' ' 31' ' ' ILE . 0.7 OUTLIER -115.21 136.67 52.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 74.150000000000006 110.887 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.02 -149.85 36.63 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.702 -0.761 . . . . 74.099999999999994 112.542 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.71 ' O ' HD13 ' C' ' 31' ' ' ILE . . . -83.39 114.33 21.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.755 0.312 . . . . 63.340000000000003 111.101 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.738 HD11 ' O ' ' C' ' 28' ' ' LYS . 4.6 mm -127.4 116.88 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 74.420000000000002 111.142 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.42 HG21 ' HG2' ' C' ' 35' ' ' MET . 5.0 mt -133.24 124.05 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 74.200000000000003 111.137 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.54 -42.51 76.4 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 74.230000000000004 112.519 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.816 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -170.53 150.39 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 70.439999999999998 110.889 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.42 ' HG2' HG21 ' C' ' 32' ' ' ILE . 48.5 mtp -126.97 123.67 37.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 73.299999999999997 110.89 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.574 HG21 HG11 ' H' ' 36' ' ' VAL . 85.8 t -127.9 113.0 29.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 72.439999999999998 111.107 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.7 20.58 40.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 52.43 112.522 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.36 -164.6 32.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.785 -0.721 . . . . 74.329999999999998 112.544 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.719 HG23 HG13 ' B' ' 39' ' ' VAL . 7.6 p -168.64 133.38 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 72.219999999999999 111.152 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.588 ' CG2' HG12 ' B' ' 40' ' ' VAL . 17.1 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 70.150000000000006 111.142 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.86 0.362 . . . . 71.040000000000006 110.895 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.53 85.69 2.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 73.030000000000001 111.065 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.04 -28.99 27.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 44.210000000000001 110.881 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 4' ' ' PHE . . . . . 0.617 ' CE2' ' HB2' ' I' ' 30' ' ' ALA . 0.3 OUTLIER -162.08 114.75 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 75.540000000000006 110.867 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -133.84 108.77 8.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 74.019999999999996 110.896 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -110.55 128.02 55.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 74.450000000000003 110.819 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -131.75 101.95 5.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 64.219999999999999 110.858 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 8' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' C' ' 8' ' ' SER . 2.5 t -147.98 174.44 11.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 70.010000000000005 110.878 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.66 -9.63 54.42 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 73.420000000000002 112.5 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -172.1 114.61 0.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.853 0.358 . . . . 75.239999999999995 110.931 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -102.66 119.67 39.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 75.299999999999997 110.867 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.5 HG13 HG23 ' C' ' 12' ' ' VAL . 4.3 p -137.33 117.95 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 72.140000000000001 111.138 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -116.45 113.83 23.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 74.150000000000006 110.883 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -117.5 124.1 47.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 64.099999999999994 110.83 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.25 133.25 45.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 74.040000000000006 110.895 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.519 ' O ' HD22 ' D' ' 17' ' ' LEU . 8.2 tptm -124.31 120.72 32.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 72.299999999999997 110.944 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.657 HD13 ' HB2' ' C' ' 17' ' ' LEU . 4.4 mm? -124.01 105.51 9.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.42 . . . . 73.219999999999999 110.95 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.494 ' CG1' ' HB2' ' D' ' 21' ' ' ALA . 84.2 t -111.68 114.39 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 73.230000000000004 111.149 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.478 ' HE1' HD12 ' D' ' 17' ' ' LEU . 4.1 m-30 -106.46 98.05 7.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 62.149999999999999 110.914 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.596 ' CE2' HG22 ' D' ' 31' ' ' ILE . 1.0 OUTLIER 63.8 91.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 72.120000000000005 110.869 -179.907 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 21' ' ' ALA . . . . . 0.494 ' HB2' ' CG1' ' D' ' 18' ' ' VAL . . . -117.1 131.2 56.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 64.530000000000001 111.113 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 62.22 90.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 73.310000000000002 110.873 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.647 HG23 HG13 ' C' ' 24' ' ' VAL . 5.8 p -129.02 131.33 68.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 74.540000000000006 111.082 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.8 -53.08 46.14 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 23.52 112.488 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.31 130.9 7.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 72.400000000000006 110.854 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.529 ' HB3' HD12 ' E' ' 31' ' ' ILE . 73.1 m-20 -95.77 105.96 18.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 74.450000000000003 110.86 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 0.732 ' O ' HD11 ' D' ' 31' ' ' ILE . 0.8 OUTLIER -116.05 136.65 52.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 60.409999999999997 110.896 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.39 -149.42 35.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 73.230000000000004 112.505 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.687 ' O ' HD13 ' D' ' 31' ' ' ILE . . . -83.76 114.62 21.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.802 0.335 . . . . 53.420000000000002 111.064 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.732 HD11 ' O ' ' D' ' 28' ' ' LYS . 4.3 mm -127.14 117.71 48.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 71.329999999999998 111.1 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.434 HG21 ' HG2' ' D' ' 35' ' ' MET . 4.8 mt -132.09 126.53 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 75.540000000000006 111.135 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.12 -42.12 95.0 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.734 -0.746 . . . . 43.329999999999998 112.464 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.724 HD22 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -170.66 146.61 2.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 71.209999999999994 110.932 -179.888 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.476 ' HE1' HG13 ' D' ' 40' ' ' VAL . 50.9 mtp -124.37 122.14 36.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 64.219999999999999 110.858 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.545 HG21 HG11 ' I' ' 36' ' ' VAL . 96.1 t -128.73 111.6 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 72.319999999999993 111.116 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.68 20.94 41.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 72.310000000000002 112.486 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.08 -164.34 31.13 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 74.109999999999999 112.501 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.676 HG23 HG13 ' C' ' 39' ' ' VAL . 7.3 p -168.93 135.85 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.879 0.371 . . . . 71.25 111.141 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.476 HG13 ' HE1' ' D' ' 35' ' ' MET . 18.1 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 71.349999999999994 111.105 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.812 0.339 . . . . 71.439999999999998 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.6 86.9 2.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 42.32 111.136 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.51 -29.26 24.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 64.230000000000004 110.934 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 4' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' J' ' 30' ' ' ALA . 0.3 OUTLIER -160.71 115.25 2.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 73.519999999999996 110.812 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -133.55 108.08 8.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 63.119999999999997 110.881 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -111.15 128.25 55.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 74.209999999999994 110.827 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -130.44 101.57 5.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 75.329999999999998 110.875 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 2.4 t -147.9 169.83 18.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 73.319999999999993 110.844 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.4 -8.99 57.17 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.786 -0.721 . . . . 43.350000000000001 112.443 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -170.6 111.64 0.39 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.87 0.367 . . . . 75.150000000000006 110.924 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -103.45 119.7 39.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 74.030000000000001 110.874 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 12' ' ' VAL . . . . . 0.479 HG13 HG23 ' D' ' 12' ' ' VAL . 4.5 p -137.29 118.73 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 73.340000000000003 111.126 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -116.38 113.49 22.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 72.299999999999997 110.832 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -116.42 125.52 52.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 62.310000000000002 110.896 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.51 134.89 46.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 71.299999999999997 110.92 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 16' ' ' LYS . . . . . 0.547 ' O ' HD22 ' E' ' 17' ' ' LEU . 8.2 tptm -124.26 119.83 30.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 70.209999999999994 110.9 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.55 HD12 ' HE1' ' E' ' 19' ' ' PHE . 4.3 mm? -126.01 106.91 9.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 62.420000000000002 110.887 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.534 ' CG1' ' HB2' ' E' ' 21' ' ' ALA . 87.3 t -112.06 118.4 57.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 74.120000000000005 111.145 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.55 ' HE1' HD12 ' E' ' 17' ' ' LEU . 4.3 m-85 -106.59 95.91 6.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 74.200000000000003 110.861 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.602 ' CE2' HG22 ' E' ' 31' ' ' ILE . 0.6 OUTLIER 62.98 91.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 72.319999999999993 110.908 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 21' ' ' ALA . . . . . 0.534 ' HB2' ' CG1' ' E' ' 18' ' ' VAL . . . -115.55 132.09 56.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 74.540000000000006 111.122 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 61.63 91.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 62.240000000000002 110.88 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.576 HG23 HG13 ' D' ' 24' ' ' VAL . 6.2 p -129.91 130.53 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 53.229999999999997 111.107 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.55 -52.57 47.94 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.656 -0.783 . . . . 55.530000000000001 112.511 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.39 131.78 7.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 61.32 110.87 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.418 HD22 HG11 ' E' ' 24' ' ' VAL . 75.1 m-20 -95.55 103.88 15.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 71.430000000000007 110.83 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 28' ' ' LYS . . . . . 0.693 ' O ' HD11 ' E' ' 31' ' ' ILE . 0.8 OUTLIER -116.09 137.48 52.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 75.25 110.896 179.849 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.56 -149.64 33.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 53.130000000000003 112.511 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.627 ' O ' HD13 ' E' ' 31' ' ' ILE . . . -83.59 115.03 21.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 63.530000000000001 111.079 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.693 HD11 ' O ' ' E' ' 28' ' ' LYS . 4.0 mm -124.48 116.83 48.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 60.329999999999998 111.1 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.506 HG21 ' CG ' ' E' ' 35' ' ' MET . 5.2 mt -125.91 122.28 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 74.230000000000004 111.123 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.31 -36.68 91.54 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.748 -0.739 . . . . 74.200000000000003 112.451 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.668 ' C ' HD22 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -171.06 148.02 2.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.792 0.33 . . . . 75.230000000000004 110.944 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.506 ' CG ' HG21 ' E' ' 32' ' ' ILE . 58.5 mtp -128.0 119.9 26.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 73.510000000000005 110.881 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.447 HG21 HG11 ' J' ' 36' ' ' VAL . 98.4 t -133.63 109.79 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 62.43 111.107 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.68 21.79 16.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.699 -0.763 . . . . 73.310000000000002 112.48 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.53 -163.96 30.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 70.340000000000003 112.519 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.52 HG23 HG13 ' D' ' 39' ' ' VAL . 7.4 p -169.22 136.26 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.904 0.383 . . . . 71.409999999999997 111.124 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 17.5 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 54.539999999999999 111.118 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.821 0.343 . . . . 72.049999999999997 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.81 86.92 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 63.030000000000001 111.099 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.51 -30.08 28.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 75.219999999999999 110.895 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 4' ' ' PHE . . . . . 0.664 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -161.03 115.23 2.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 62.329999999999998 110.863 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -135.37 108.97 7.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 71.400000000000006 110.898 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -109.63 128.42 55.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 75.230000000000004 110.888 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -133.23 102.03 5.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 55.200000000000003 110.884 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 2.5 t -147.09 176.37 9.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 75.219999999999999 110.869 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.01 -10.17 56.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 65.099999999999994 112.507 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -172.37 117.48 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 74.140000000000001 110.882 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -102.2 118.88 37.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.063 -0.517 . . . . 75.439999999999998 110.888 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.508 HG23 HG13 ' G' ' 12' ' ' VAL . 4.4 p -139.67 119.18 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 73.349999999999994 111.175 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 65.3 m170 -117.13 114.85 24.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 70.099999999999994 110.897 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -118.71 122.44 42.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 72.310000000000002 110.878 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.09 133.15 44.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 72.219999999999999 110.941 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -132.98 119.27 19.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 70.5 110.861 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.555 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.4 mm? -121.72 111.27 16.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 55.439999999999998 110.972 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.641 ' CG1' ' HB2' ' F' ' 21' ' ' ALA . 89.0 t -114.37 112.03 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 63.219999999999999 111.162 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.543 ' HE1' HD12 ' F' ' 17' ' ' LEU . 8.1 m-85 -103.98 105.23 15.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 74.530000000000001 110.872 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 20' ' ' PHE . . . . . 0.572 ' CE2' HG22 ' F' ' 31' ' ' ILE . 0.9 OUTLIER 64.28 88.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 71.329999999999998 110.894 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' F' F ' 21' ' ' ALA . . . . . 0.641 ' HB2' ' CG1' ' F' ' 18' ' ' VAL . . . -115.75 132.0 56.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 64.25 111.126 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 62.78 90.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 75.430000000000007 110.863 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.592 HG13 HG23 ' G' ' 24' ' ' VAL . 6.5 p -129.49 130.72 67.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 71.329999999999998 111.139 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.78 -52.93 49.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 35.240000000000002 112.505 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.5 129.68 6.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.895 0.379 . . . . 71.340000000000003 110.826 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 27' ' ' ASN . . . . . 0.563 ' HB3' HD12 ' G' ' 31' ' ' ILE . 18.3 m120 -96.03 105.92 18.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.400000000000006 110.911 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 28' ' ' LYS . . . . . 0.74 ' O ' HD11 ' F' ' 31' ' ' ILE . 0.8 OUTLIER -114.25 136.53 52.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 54.049999999999997 110.897 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.82 -151.08 40.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.726 . . . . 74.140000000000001 112.518 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.653 ' O ' HD13 ' F' ' 31' ' ' ILE . . . -83.5 114.05 21.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 73.540000000000006 111.089 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.74 HD11 ' O ' ' F' ' 28' ' ' LYS . 5.3 mm -126.23 116.22 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 64.120000000000005 111.106 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.501 HG21 ' CG ' ' F' ' 35' ' ' MET . 6.5 mt -135.09 120.68 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 74.129999999999995 111.128 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.33 -44.51 65.56 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 62.32 112.505 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.703 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -173.79 148.71 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.8 0.333 . . . . 71.329999999999998 110.916 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' F' F ' 35' ' ' MET . . . . . 0.501 ' CG ' HG21 ' F' ' 32' ' ' ILE . 58.5 mtp -127.68 123.52 35.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 54.329999999999998 110.893 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.871 HG11 HG21 ' A' ' 36' ' ' VAL . 94.5 t -119.02 115.28 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 71.299999999999997 111.151 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.01 19.26 61.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 72.420000000000002 112.449 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.07 -162.54 29.68 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 75.019999999999996 112.441 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.863 HG13 HG23 ' G' ' 39' ' ' VAL . 7.5 p -169.23 137.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 73.439999999999998 111.139 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 62.43 111.1 179.921 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.823 0.344 . . . . 52.310000000000002 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.56 87.07 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 73.019999999999996 111.12 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -51.99 -29.59 21.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 72.319999999999993 110.843 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 4' ' ' PHE . . . . . 0.657 ' CE2' ' HB2' ' B' ' 30' ' ' ALA . 0.3 OUTLIER -161.83 115.44 1.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 62.539999999999999 110.844 -179.868 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -134.36 108.66 8.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 74.219999999999999 110.874 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -108.9 128.3 54.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 74.239999999999995 110.874 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -132.55 101.82 5.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 73.439999999999998 110.855 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 8' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' H' ' 8' ' ' SER . 2.5 t -147.5 176.01 10.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 75.329999999999998 110.843 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.8 -10.58 55.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.75 . . . . 73.409999999999997 112.541 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -172.34 115.25 0.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.821 0.344 . . . . 75.140000000000001 110.95 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -101.44 118.62 37.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 71.310000000000002 110.87 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 12' ' ' VAL . . . . . 0.508 HG13 HG23 ' F' ' 12' ' ' VAL . 3.7 p -138.16 117.83 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 72.530000000000001 111.078 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -116.07 114.9 25.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 70.140000000000001 110.876 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 1.6 m80 -118.96 121.91 41.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 73.049999999999997 110.856 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -130.75 133.02 45.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 65.109999999999999 110.926 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 16' ' ' LYS . . . . . 0.413 ' C ' HD22 ' G' ' 17' ' ' LEU . 7.8 tptm -128.45 121.79 29.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 64.109999999999999 110.908 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.639 ' HB2' HD13 ' H' ' 17' ' ' LEU . 4.5 mm? -120.93 109.23 14.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 72.219999999999999 110.874 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' G' ' 21' ' ' ALA . 91.4 t -112.28 113.7 44.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 75.219999999999999 111.124 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.558 ' CE1' HD12 ' G' ' 17' ' ' LEU . 6.8 m-85 -108.79 100.92 10.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 74.430000000000007 110.882 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 0.582 ' CE2' HG22 ' G' ' 31' ' ' ILE . 0.9 OUTLIER 64.07 89.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 74.200000000000003 110.877 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' G' G ' 21' ' ' ALA . . . . . 0.471 ' HB2' ' CG1' ' G' ' 18' ' ' VAL . . . -115.62 131.73 56.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 73.319999999999993 111.105 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 62.38 90.29 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 62.43 110.923 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.621 HG13 HG23 ' H' ' 24' ' ' VAL . 5.7 p -128.85 130.91 68.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 73.319999999999993 111.13 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.27 -52.64 50.43 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 51.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.51 130.21 6.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.911 0.386 . . . . 73.540000000000006 110.859 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 27' ' ' ASN . . . . . 0.572 ' HB3' HD12 ' H' ' 31' ' ' ILE . 18.6 m120 -96.42 105.14 17.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.420000000000002 110.886 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 28' ' ' LYS . . . . . 0.734 ' O ' HD11 ' G' ' 31' ' ' ILE . 0.9 OUTLIER -114.43 137.23 52.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 71.109999999999999 110.89 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.38 -150.33 38.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 72.230000000000004 112.482 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.709 ' O ' HD13 ' G' ' 31' ' ' ILE . . . -83.74 114.41 21.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.696 0.284 . . . . 62.140000000000001 111.097 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.734 HD11 ' O ' ' G' ' 28' ' ' LYS . 4.9 mm -127.02 117.93 48.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 73.040000000000006 111.091 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.4 HG21 ' HG2' ' G' ' 35' ' ' MET . 5.6 mt -134.89 123.07 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 71.409999999999997 111.119 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.85 -43.25 70.6 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.76 -0.734 . . . . 35.020000000000003 112.519 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.77 HD22 ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -172.29 150.79 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 72.120000000000005 110.902 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.429 ' CE ' HG13 ' G' ' 40' ' ' VAL . 49.3 mtp -128.01 123.97 36.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 44.0 110.852 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.683 HG11 HG21 ' B' ' 36' ' ' VAL . 99.5 t -125.69 112.7 31.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 71.510000000000005 111.133 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.44 19.7 58.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 75.409999999999997 112.47 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.38 -163.9 30.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.696 -0.764 . . . . 21.41 112.533 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.863 HG23 HG13 ' F' ' 39' ' ' VAL . 7.4 p -169.43 134.32 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.896 0.379 . . . . 74.209999999999994 111.107 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.429 HG13 ' CE ' ' G' ' 35' ' ' MET . 21.4 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 71.040000000000006 111.157 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.788 0.328 . . . . 62.119999999999997 110.882 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.84 86.66 2.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 53.25 111.065 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -51.77 -30.12 21.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 74.230000000000004 110.886 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 4' ' ' PHE . . . . . 0.634 ' CE2' ' HB2' ' C' ' 30' ' ' ALA . 0.3 OUTLIER -161.26 115.39 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 73.340000000000003 110.913 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -133.9 108.63 8.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 73.420000000000002 110.853 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -109.34 127.76 54.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 75.209999999999994 110.846 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -131.96 101.81 5.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 71.400000000000006 110.859 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 8' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' I' ' 8' ' ' SER . 2.5 t -147.42 175.66 10.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 74.519999999999996 110.865 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.31 -10.31 54.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 44.130000000000003 112.508 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -172.22 115.15 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 63.140000000000001 110.875 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -101.85 119.05 38.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 54.530000000000001 110.895 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.502 HG23 HG13 ' I' ' 12' ' ' VAL . 3.9 p -137.8 117.74 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 63.009999999999998 111.088 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -116.07 114.43 24.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 71.420000000000002 110.839 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -118.01 123.0 44.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 73.329999999999998 110.921 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -131.04 133.14 45.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 74.150000000000006 110.883 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 16' ' ' LYS . . . . . 0.45 ' C ' HD22 ' H' ' 17' ' ' LEU . 8.0 tptm -126.08 121.61 33.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 72.200000000000003 110.942 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.639 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.5 mm? -122.1 106.37 11.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 74.329999999999998 110.905 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.434 ' CG1' ' HB2' ' H' ' 21' ' ' ALA . 92.1 t -111.48 114.02 45.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 71.209999999999994 111.101 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.513 ' CE1' HD12 ' H' ' 17' ' ' LEU . 5.1 m-85 -108.77 99.62 8.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 72.010000000000005 110.868 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 20' ' ' PHE . . . . . 0.596 ' CE2' HG22 ' H' ' 31' ' ' ILE . 1.0 OUTLIER 63.72 89.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 74.430000000000007 110.875 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' H' H ' 21' ' ' ALA . . . . . 0.434 ' HB2' ' CG1' ' H' ' 18' ' ' VAL . . . -115.57 130.8 57.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 72.5 111.096 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 62.07 90.45 0.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 52.039999999999999 110.846 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 24' ' ' VAL . . . . . 0.671 HG13 HG23 ' I' ' 24' ' ' VAL . 6.0 p -128.24 130.86 69.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 62.299999999999997 111.164 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.04 -52.88 49.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 62.229999999999997 112.499 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.52 130.11 6.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 65.349999999999994 110.839 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 27' ' ' ASN . . . . . 0.58 ' HB3' HD12 ' I' ' 31' ' ' ILE . 18.4 m120 -96.33 105.2 17.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 72.019999999999996 110.891 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 28' ' ' LYS . . . . . 0.726 ' O ' HD11 ' H' ' 31' ' ' ILE . 0.8 OUTLIER -114.86 137.25 52.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 70.040000000000006 110.846 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.93 -150.55 37.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 71.329999999999998 112.512 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 30' ' ' ALA . . . . . 0.704 ' O ' HD13 ' H' ' 31' ' ' ILE . . . -83.48 114.15 21.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.744 0.307 . . . . 73.219999999999999 111.069 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.726 HD11 ' O ' ' H' ' 28' ' ' LYS . 4.6 mm -126.88 117.99 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 73.109999999999999 111.113 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 32' ' ' ILE . . . . . 0.42 HG21 ' HG2' ' H' ' 35' ' ' MET . 5.0 mt -133.6 123.72 46.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 55.109999999999999 111.155 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.39 -42.7 75.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.753 . . . . 43.140000000000001 112.472 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.81 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -170.88 149.93 3.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.787 0.327 . . . . 72.420000000000002 110.923 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' H' H ' 35' ' ' MET . . . . . 0.42 ' HG2' HG21 ' H' ' 32' ' ' ILE . 49.4 mtp -126.93 123.23 36.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 74.129999999999995 110.869 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.574 HG11 HG21 ' C' ' 36' ' ' VAL . 99.0 t -128.74 112.82 27.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 74.340000000000003 111.098 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.36 19.86 48.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.683 -0.77 . . . . 61.240000000000002 112.51 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.72 -164.63 31.63 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 22.120000000000001 112.472 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.67 HG23 HG13 ' G' ' 39' ' ' VAL . 7.5 p -169.2 133.81 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.862 0.363 . . . . 70.409999999999997 111.12 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' H' H ' 40' ' ' VAL . . . . . 0.418 ' CG2' HG12 ' G' ' 40' ' ' VAL . 18.9 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 71.430000000000007 111.151 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.821 0.343 . . . . 74.129999999999995 110.855 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.68 86.73 2.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 40.310000000000002 111.134 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.1 -29.59 22.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 75.439999999999998 110.861 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 4' ' ' PHE . . . . . 0.621 ' CE2' ' HB2' ' D' ' 30' ' ' ALA . 0.3 OUTLIER -161.8 115.29 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 75.209999999999994 110.86 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -133.88 108.67 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 75.450000000000003 110.844 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -110.05 127.94 55.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 73.310000000000002 110.877 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -131.88 102.0 5.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 72.329999999999998 110.886 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 8' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' H' ' 8' ' ' SER . 2.5 t -147.68 174.49 11.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 73.140000000000001 110.871 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.87 -9.42 54.33 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.723 -0.751 . . . . 72.25 112.445 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -172.15 114.38 0.32 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.807 0.336 . . . . 75.109999999999999 110.978 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -102.36 119.54 38.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 71.319999999999993 110.875 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 12' ' ' VAL . . . . . 0.502 HG13 HG23 ' H' ' 12' ' ' VAL . 4.3 p -137.59 117.95 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 64.230000000000004 111.122 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -116.29 114.44 24.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 62.450000000000003 110.876 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -117.75 123.78 46.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 70.219999999999999 110.855 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -131.24 133.05 45.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 74.310000000000002 110.93 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 16' ' ' LYS . . . . . 0.494 ' O ' HD22 ' I' ' 17' ' ' LEU . 8.1 tptm -124.41 120.54 32.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 72.219999999999999 110.927 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.638 HD13 ' HB2' ' H' ' 17' ' ' LEU . 4.5 mm? -123.85 105.59 9.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 51.219999999999999 110.932 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 18' ' ' VAL . . . . . 0.475 ' CG1' ' HB2' ' I' ' 21' ' ' ALA . 85.4 t -111.98 114.6 47.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 55.340000000000003 111.144 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 19' ' ' PHE . . . . . 0.496 ' HE1' HD12 ' I' ' 17' ' ' LEU . 4.5 m-85 -106.54 97.98 7.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 75.450000000000003 110.832 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 20' ' ' PHE . . . . . 0.595 ' CE2' HG22 ' I' ' 31' ' ' ILE . 0.9 OUTLIER 63.76 91.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 74.329999999999998 110.902 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' I' I ' 21' ' ' ALA . . . . . 0.475 ' HB2' ' CG1' ' I' ' 18' ' ' VAL . . . -116.93 131.04 57.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 70.010000000000005 111.124 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 62.34 90.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 73.319999999999993 110.844 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.671 HG23 HG13 ' H' ' 24' ' ' VAL . 6.0 p -129.1 130.97 68.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 53.149999999999999 111.088 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.08 -53.24 46.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 64.109999999999999 112.496 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.17 130.12 6.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.816 0.341 . . . . 74.150000000000006 110.853 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 27' ' ' ASN . . . . . 0.518 ' HB3' HD12 ' J' ' 31' ' ' ILE . 18.5 m120 -95.63 105.09 17.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 72.040000000000006 110.866 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 28' ' ' LYS . . . . . 0.717 ' O ' HD11 ' I' ' 31' ' ' ILE . 0.7 OUTLIER -115.49 137.34 52.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 63.43 110.887 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.48 -150.64 36.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.717 -0.754 . . . . 73.019999999999996 112.495 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.695 ' O ' HD13 ' I' ' 31' ' ' ILE . . . -83.37 114.48 21.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.797 0.332 . . . . 64.5 111.068 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.717 HD11 ' O ' ' I' ' 28' ' ' LYS . 4.6 mm -126.72 118.83 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 72.230000000000004 111.12 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 32' ' ' ILE . . . . . 0.432 HG21 ' HG2' ' I' ' 35' ' ' MET . 4.8 mt -132.37 125.39 53.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 64.219999999999999 111.125 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.04 -42.24 92.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 60.310000000000002 112.494 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.734 HD22 ' O ' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -170.67 147.58 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.342 . . . . 72.409999999999997 110.941 -179.909 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' I' I ' 35' ' ' MET . . . . . 0.432 ' HG2' HG21 ' I' ' 32' ' ' ILE . 50.6 mtp -125.96 122.12 35.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 74.25 110.878 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.545 HG11 HG21 ' D' ' 36' ' ' VAL . 96.8 t -129.46 111.53 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 64.219999999999999 111.163 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.02 20.32 41.42 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.781 -0.723 . . . . 71.510000000000005 112.514 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.03 -164.12 32.39 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 52.450000000000003 112.473 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 0.581 HG23 HG13 ' H' ' 39' ' ' VAL . 7.6 p -169.06 136.15 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 75.230000000000004 111.132 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' I' I ' 40' ' ' VAL . . . . . 0.4 ' HA ' HG22 ' J' ' 40' ' ' VAL . 19.1 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 73.120000000000005 111.121 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.82 0.343 . . . . 71.209999999999994 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.69 86.99 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 70.209999999999994 111.1 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -51.94 -29.96 22.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 71.299999999999997 110.889 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 4' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' E' ' 30' ' ' ALA . 0.3 OUTLIER -161.07 115.14 2.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 73.430000000000007 110.893 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -133.27 108.53 8.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 75.409999999999997 110.897 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -110.85 127.41 55.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 72.200000000000003 110.815 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -130.03 101.65 5.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 74.409999999999997 110.908 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 2.4 t -148.33 169.63 19.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 74.299999999999997 110.841 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.42 -8.75 57.29 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.759 -0.734 . . . . 75.219999999999999 112.49 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -170.79 112.0 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 74.0 110.911 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -103.17 119.86 39.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 75.120000000000005 110.872 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.5 HG13 HG23 ' I' ' 12' ' ' VAL . 4.6 p -136.71 119.23 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 73.040000000000006 111.105 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 63.7 m170 -116.28 113.81 23.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 75.340000000000003 110.866 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -117.06 124.93 50.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 75.450000000000003 110.856 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -132.08 134.51 45.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 75.010000000000005 110.887 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 16' ' ' LYS . . . . . 0.536 ' O ' HD22 ' J' ' 17' ' ' LEU . 7.8 tptm -124.47 119.84 30.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 75.25 110.939 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.557 HD12 ' HE1' ' J' ' 19' ' ' PHE . 4.3 mm? -126.09 106.77 9.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 70.420000000000002 110.895 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.537 ' CG1' ' HB2' ' J' ' 21' ' ' ALA . 91.1 t -112.42 118.11 56.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 54.229999999999997 111.148 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.557 ' HE1' HD12 ' J' ' 17' ' ' LEU . 4.1 m-85 -106.23 96.1 6.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.481 . . . . 72.25 110.886 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 20' ' ' PHE . . . . . 0.604 ' CE2' HG22 ' J' ' 31' ' ' ILE . 0.6 OUTLIER 63.06 91.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 72.439999999999998 110.891 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' J' J ' 21' ' ' ALA . . . . . 0.537 ' HB2' ' CG1' ' J' ' 18' ' ' VAL . . . -116.1 132.61 56.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 73.430000000000007 111.065 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 61.67 90.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 62.119999999999997 110.897 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.612 HG23 HG13 ' I' ' 24' ' ' VAL . 6.2 p -130.45 130.37 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 71.420000000000002 111.126 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.42 -52.31 50.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 74.329999999999998 112.459 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.49 131.29 7.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 75.430000000000007 110.906 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 27' ' ' ASN . . . . . 0.483 HD22 HG11 ' J' ' 24' ' ' VAL . 74.0 m-20 -95.92 103.21 15.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 72.530000000000001 110.898 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 28' ' ' LYS . . . . . 0.673 ' O ' HD11 ' J' ' 31' ' ' ILE . 0.8 OUTLIER -115.31 137.57 51.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 71.25 110.868 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.27 -150.34 33.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 72.239999999999995 112.489 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 0.624 ' O ' HD13 ' J' ' 31' ' ' ILE . . . -83.45 114.27 21.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.771 0.319 . . . . 34.43 111.1 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.673 HD11 ' O ' ' J' ' 28' ' ' LYS . 3.9 mm -124.25 117.32 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 73.439999999999998 111.161 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 32' ' ' ILE . . . . . 0.53 HG21 ' CG ' ' J' ' 35' ' ' MET . 5.3 mt -126.22 122.94 62.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 70.150000000000006 111.159 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.51 -38.27 93.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 70.140000000000001 112.51 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.671 HD22 ' O ' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -170.5 147.32 2.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 73.430000000000007 110.886 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' J' J ' 35' ' ' MET . . . . . 0.53 ' CG ' HG21 ' J' ' 32' ' ' ILE . 55.5 mtp -128.29 119.63 25.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 72.219999999999999 110.941 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.447 HG11 HG21 ' E' ' 36' ' ' VAL . 84.9 t -134.31 109.97 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 60.509999999999998 111.129 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 55.2 21.12 24.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 31.34 112.502 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.39 -162.15 31.57 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 71.219999999999999 112.501 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.435 HG23 HG13 ' I' ' 39' ' ' VAL . 7.4 p -169.18 137.49 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 75.450000000000003 111.114 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.4 HG22 ' HA ' ' I' ' 40' ' ' VAL . 17.2 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 65.209999999999994 111.121 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.809 0.338 . . . . 72.019999999999996 110.839 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.19 87.19 4.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 54.340000000000003 111.068 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -57.73 -24.32 56.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 73.329999999999998 110.894 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' F' ' 30' ' ' ALA . 0.3 OUTLIER -167.22 114.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 71.140000000000001 110.829 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -130.15 109.5 10.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 74.540000000000006 110.899 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -109.23 121.48 45.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 62.25 110.866 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -127.99 102.09 6.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 44.219999999999999 110.905 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -148.77 176.05 10.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 71.040000000000006 110.857 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.32 -10.43 38.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 70.150000000000006 112.515 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.39 114.6 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.349 . . . . 55.210000000000001 110.93 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -103.19 120.48 40.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 55.409999999999997 110.887 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 50.5 t -132.16 113.93 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 72.120000000000005 111.143 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -114.01 124.49 52.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 72.329999999999998 110.889 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -133.54 115.42 14.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 72.530000000000001 110.84 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -121.2 136.82 54.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 71.019999999999996 110.895 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -131.54 115.36 16.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 71.299999999999997 110.847 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.518 HD12 ' CE1' ' A' ' 19' ' ' PHE . 3.6 mm? -119.29 110.63 17.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 70.310000000000002 110.92 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.743 HG12 ' CG2' ' B' ' 18' ' ' VAL . 27.2 m -116.82 118.97 60.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 51.340000000000003 111.115 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.518 ' CE1' HD12 ' A' ' 17' ' ' LEU . 13.5 m-85 -106.31 106.9 17.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 70.099999999999994 110.909 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 58.99 65.6 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 75.420000000000002 110.914 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.53 138.02 32.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 41.409999999999997 111.091 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.67 77.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 75.099999999999994 110.874 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.607 ' CG1' HG23 ' B' ' 24' ' ' VAL . 7.6 p -112.55 139.43 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 72.540000000000006 111.117 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.29 -47.49 51.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 70.129999999999995 112.483 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.0 m -161.1 124.88 3.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.934 0.397 . . . . 74.340000000000003 110.824 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.564 ' CG ' HG21 ' A' ' 31' ' ' ILE . 23.6 m-20 -108.5 102.44 11.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 75.129999999999995 110.858 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.56 162.27 16.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 72.109999999999999 110.872 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.12 -135.5 50.25 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 25.109999999999999 112.487 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.576 ' HB2' ' CE2' ' F' ' 4' ' ' PHE . . . -83.14 113.64 20.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.722 0.296 . . . . 22.32 111.118 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.737 HG22 ' CZ ' ' B' ' 20' ' ' PHE . 2.0 mp -123.49 109.31 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 65.329999999999998 111.113 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.0 mt -137.64 116.17 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 72.040000000000006 111.114 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.18 -48.73 32.05 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.691 -0.766 . . . . 53.039999999999999 112.532 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.672 HD22 ' C ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -173.19 149.05 1.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 73.310000000000002 110.958 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.3 mtp -123.96 123.17 39.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 71.430000000000007 110.897 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.498 HG21 HG11 ' F' ' 36' ' ' VAL . 60.2 t -111.63 114.58 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 63.299999999999997 111.116 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.95 23.62 46.75 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 74.140000000000001 112.467 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.32 -169.29 25.83 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.7 -0.762 . . . . 71.409999999999997 112.436 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.493 ' O ' HG23 ' B' ' 39' ' ' VAL . 4.3 p -168.53 121.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 74.510000000000005 111.142 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.728 ' HA ' HG22 ' B' ' 40' ' ' VAL . 18.6 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 63.210000000000001 111.157 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.768 0.318 . . . . 74.409999999999997 110.861 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.7 87.05 4.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 44.539999999999999 111.095 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -57.05 -23.53 47.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 71.349999999999994 110.869 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' G' ' 30' ' ' ALA . 0.3 OUTLIER -167.56 114.56 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 75.409999999999997 110.868 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -129.24 108.96 10.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 73.099999999999994 110.81 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.415 ' CE1' ' HG3' ' B' ' 11' ' ' GLU . 22.9 t-80 -107.48 121.54 44.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 73.510000000000005 110.804 -179.986 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -127.88 101.21 6.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 62.439999999999998 110.905 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -148.41 175.56 11.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 74.219999999999999 110.883 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.52 -10.24 38.88 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.777 -0.725 . . . . 45.210000000000001 112.486 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.29 114.21 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 72.129999999999995 110.913 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 11' ' ' GLU . . . . . 0.415 ' HG3' ' CE1' ' B' ' 6' ' ' HIS . 3.5 tt0 -102.61 120.11 39.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 72.109999999999999 110.863 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.5 t -131.57 114.01 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 62.310000000000002 111.114 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 60.1 m170 -114.91 123.6 49.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 62.329999999999998 110.861 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -133.43 116.75 16.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.169 -0.469 . . . . 74.349999999999994 110.834 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -122.82 135.88 54.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 63.039999999999999 110.923 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.433 ' O ' HD22 ' B' ' 17' ' ' LEU . 0.8 OUTLIER -127.78 116.27 19.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 72.25 110.891 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.482 HD12 ' HE1' ' B' ' 19' ' ' PHE . 3.9 mm? -121.21 110.3 16.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 73.349999999999994 110.903 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.743 ' CG2' HG12 ' A' ' 18' ' ' VAL . 27.1 m -118.52 119.45 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 72.019999999999996 111.099 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.482 ' HE1' HD12 ' B' ' 17' ' ' LEU . 6.9 m-85 -106.63 110.19 22.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 71.430000000000007 110.854 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.737 ' CZ ' HG22 ' A' ' 31' ' ' ILE . 4.6 m-30 59.58 63.6 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 70.329999999999998 110.927 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.61 137.74 32.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 62.210000000000001 111.05 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.13 77.28 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 75.230000000000004 110.86 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.607 HG23 ' CG1' ' A' ' 24' ' ' VAL . 6.3 p -113.23 137.57 45.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 70.519999999999996 111.098 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.51 -46.81 53.84 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.7 -0.762 . . . . 75.299999999999997 112.507 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 11.7 m -161.2 125.44 3.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.875 0.369 . . . . 34.240000000000002 110.862 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.537 ' CG ' HG21 ' B' ' 31' ' ' ILE . 23.4 m-20 -107.47 102.25 11.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 61.399999999999999 110.842 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.0 162.09 17.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 65.239999999999995 110.864 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.5 -134.69 49.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.69 -0.767 . . . . 61.219999999999999 112.511 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.576 ' HB2' ' CE2' ' G' ' 4' ' ' PHE . . . -83.47 113.69 20.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 73.209999999999994 111.102 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.742 HG22 ' CZ ' ' C' ' 20' ' ' PHE . 2.0 mp -123.54 109.43 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 71.319999999999993 111.137 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 16.8 mt -135.46 119.22 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 72.409999999999997 111.105 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.43 ' HA3' ' HB3' ' B' ' 19' ' ' PHE . . . -50.49 -47.86 43.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 64.099999999999994 112.486 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.704 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -171.33 151.46 3.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.85 0.357 . . . . 72.400000000000006 110.915 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.3 ttp -123.16 123.74 41.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 74.519999999999996 110.892 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.499 HG23 HD23 ' B' ' 34' ' ' LEU . 78.4 t -119.96 111.07 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 72.319999999999993 111.099 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.88 24.45 49.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.732 . . . . 73.299999999999997 112.486 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.48 -169.3 24.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 74.150000000000006 112.511 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.5 ' O ' HG23 ' C' ' 39' ' ' VAL . 3.3 p -167.93 120.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 75.200000000000003 111.169 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.728 HG22 ' HA ' ' A' ' 40' ' ' VAL . 17.6 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 72.209999999999994 111.148 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.833 0.349 . . . . 73.230000000000004 110.85 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.06 86.92 4.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 41.240000000000002 111.115 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -57.26 -23.6 49.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 75.019999999999996 110.897 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 4' ' ' PHE . . . . . 0.538 ' CE2' ' HB2' ' H' ' 30' ' ' ALA . 0.3 OUTLIER -167.94 114.77 0.71 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 75.239999999999995 110.897 -179.897 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -129.25 108.97 10.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 74.329999999999998 110.882 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -107.74 120.91 43.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 74.530000000000001 110.831 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -127.3 101.39 6.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 54.530000000000001 110.846 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -148.46 175.54 11.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 53.439999999999998 110.849 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.75 -10.07 38.68 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 61.310000000000002 112.443 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.26 114.29 0.31 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.856 0.36 . . . . 63.310000000000002 110.934 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -102.51 120.1 39.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 65.439999999999998 110.91 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 48.5 t -131.64 114.28 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 74.0 111.165 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -115.32 123.41 48.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 44.350000000000001 110.869 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -133.01 117.4 17.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 54.32 110.888 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -123.58 135.71 54.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 74.209999999999994 110.913 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.506 ' O ' HD22 ' C' ' 17' ' ' LEU . 0.8 OUTLIER -125.94 116.91 22.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 74.299999999999997 110.89 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.506 HD22 ' O ' ' C' ' 16' ' ' LYS . 4.0 mm? -123.47 109.63 14.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 72.120000000000005 110.891 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.727 ' CG2' HG12 ' B' ' 18' ' ' VAL . 27.8 m -119.14 119.55 61.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 73.099999999999994 111.14 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.504 ' HE1' HD12 ' C' ' 17' ' ' LEU . 4.7 m-85 -106.22 109.85 21.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 75.140000000000001 110.856 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.742 ' CZ ' HG22 ' B' ' 31' ' ' ILE . 4.5 m-30 59.65 63.59 1.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 72.140000000000001 110.886 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.73 136.99 33.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 63.219999999999999 111.095 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.01 77.46 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 65.409999999999997 110.851 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.577 ' CG1' HG23 ' D' ' 24' ' ' VAL . 6.9 p -113.09 137.43 46.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 73.299999999999997 111.152 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.53 -46.8 53.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.774 -0.727 . . . . 71.319999999999993 112.441 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 12.0 m -160.69 125.67 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 74.200000000000003 110.838 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.475 ' ND2' HG21 ' C' ' 31' ' ' ILE . 21.0 m-20 -107.43 101.69 11.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 64.219999999999999 110.938 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.53 161.93 17.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 73.209999999999994 110.9 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.27 -134.54 48.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.729 . . . . 42.409999999999997 112.515 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.555 ' HB2' ' CE2' ' H' ' 4' ' ' PHE . . . -83.34 113.89 21.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.799 0.333 . . . . 72.420000000000002 111.073 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.75 HG22 ' CZ ' ' D' ' 20' ' ' PHE . 2.0 mp -123.24 109.36 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 73.409999999999997 111.173 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 13.7 mt -134.12 119.55 31.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 53.409999999999997 111.11 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.84 -46.29 54.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 61.310000000000002 112.481 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.766 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -170.95 151.05 3.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.812 0.339 . . . . 75.200000000000003 110.951 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 1.4 mtp -122.3 122.43 39.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.299999999999997 110.845 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.509 HG23 HD23 ' C' ' 34' ' ' LEU . 84.9 t -120.66 110.97 30.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 74.099999999999994 111.135 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.69 25.54 29.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 32.340000000000003 112.487 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.93 -169.38 25.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 63.299999999999997 112.477 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.517 ' O ' HG23 ' D' ' 39' ' ' VAL . 3.6 p -167.64 120.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.861 0.362 . . . . 72.319999999999993 111.105 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.709 HG22 ' HA ' ' B' ' 40' ' ' VAL . 18.1 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 64.510000000000005 111.127 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.854 0.359 . . . . 62.520000000000003 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.93 86.62 4.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 62.420000000000002 111.073 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -57.34 -23.95 52.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 72.109999999999999 110.93 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 4' ' ' PHE . . . . . 0.524 ' CE2' ' HB2' ' I' ' 30' ' ' ALA . 0.3 OUTLIER -168.0 114.96 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 75.430000000000007 110.905 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -128.86 108.83 10.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 72.219999999999999 110.869 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 6' ' ' HIS . . . . . 0.422 ' CE1' ' HG3' ' D' ' 11' ' ' GLU . 23.5 t-80 -107.34 120.5 42.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 71.239999999999995 110.845 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -126.99 101.31 6.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 44.210000000000001 110.827 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -148.61 174.62 11.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 63.409999999999997 110.855 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.69 -9.64 39.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 74.129999999999995 112.47 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.16 113.75 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 75.25 110.95 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 11' ' ' GLU . . . . . 0.422 ' HG3' ' CE1' ' D' ' 6' ' ' HIS . 3.6 tt0 -102.33 120.24 40.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 65.310000000000002 110.865 -179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -131.71 114.39 24.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 71.140000000000001 111.119 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 57.4 m170 -115.17 123.47 48.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 73.109999999999999 110.9 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -133.24 117.37 17.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 75.150000000000006 110.851 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -123.83 135.95 54.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 71.109999999999999 110.875 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.59 ' O ' HD22 ' D' ' 17' ' ' LEU . 0.8 OUTLIER -124.46 116.98 23.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 52.539999999999999 110.912 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.59 HD22 ' O ' ' D' ' 16' ' ' LYS . 4.2 mm? -125.66 109.0 12.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 71.040000000000006 110.949 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.713 HG12 ' CG2' ' E' ' 18' ' ' VAL . 29.0 m -119.4 119.99 62.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.230000000000004 111.155 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.466 ' HE1' HD12 ' D' ' 17' ' ' LEU . 2.8 m-85 -105.8 109.13 20.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 71.400000000000006 110.849 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.75 ' CZ ' HG22 ' C' ' 31' ' ' ILE . 4.6 m-30 59.86 63.5 1.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 72.450000000000003 110.89 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.85 136.99 34.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 45.420000000000002 111.087 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.78 77.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 75.510000000000005 110.86 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.577 HG23 ' CG1' ' C' ' 24' ' ' VAL . 7.1 p -113.01 137.56 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 64.530000000000001 111.144 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.53 -46.41 55.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 75.25 112.484 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 12.3 m -160.31 126.06 4.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 73.109999999999999 110.867 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -107.02 100.85 10.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 75.230000000000004 110.905 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.43 162.03 18.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 71.310000000000002 110.887 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.58 -134.11 47.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.742 . . . . 72.019999999999996 112.484 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.531 ' HB2' ' CE2' ' I' ' 4' ' ' PHE . . . -83.3 113.55 20.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.765 0.317 . . . . 71.400000000000006 111.136 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.739 HG22 ' CZ ' ' E' ' 20' ' ' PHE . 2.1 mp -122.1 109.35 24.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 74.540000000000006 111.106 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 12.6 mt -133.2 119.91 37.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 64.030000000000001 111.169 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.32 -47.0 70.34 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 54.340000000000003 112.469 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.754 HD22 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -168.38 148.99 4.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 64.530000000000001 110.91 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 1.4 mtp -122.47 120.62 34.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 61.5 110.907 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.535 HG23 HD23 ' D' ' 34' ' ' LEU . 75.4 t -120.7 110.79 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 74.420000000000002 111.124 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.61 25.95 22.76 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.718 -0.753 . . . . 64.329999999999998 112.488 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.12 -169.3 26.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 45.219999999999999 112.484 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.544 ' O ' HG23 ' E' ' 39' ' ' VAL . 4.1 p -167.43 120.84 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 65.310000000000002 111.142 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.675 HG22 ' HA ' ' C' ' 40' ' ' VAL . 18.5 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 63.130000000000003 111.126 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.86 0.362 . . . . 60.520000000000003 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.17 87.09 5.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 62.399999999999999 111.119 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -57.26 -24.44 54.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 64.209999999999994 110.879 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 4' ' ' PHE . . . . . 0.446 ' CE2' ' HB2' ' J' ' 30' ' ' ALA . 0.3 OUTLIER -167.33 115.37 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 72.129999999999995 110.862 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -128.01 108.9 11.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 62.439999999999998 110.864 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -107.49 120.54 42.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 74.439999999999998 110.828 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -126.28 101.01 6.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 73.340000000000003 110.886 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 2.9 m -149.31 171.34 16.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 64.530000000000001 110.828 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.54 -8.84 45.37 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.751 . . . . 62.109999999999999 112.482 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -170.91 112.11 0.38 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.868 0.365 . . . . 72.340000000000003 110.932 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -102.58 120.23 40.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 75.5 110.861 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -131.71 115.16 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 62.130000000000003 111.147 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -115.19 122.44 46.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 72.019999999999996 110.852 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -132.31 117.81 18.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 72.040000000000006 110.851 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -124.52 137.34 54.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 74.409999999999997 110.935 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 16' ' ' LYS . . . . . 0.602 ' O ' HD22 ' E' ' 17' ' ' LEU . 0.8 OUTLIER -124.31 115.66 21.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 74.340000000000003 110.894 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.602 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.4 mm? -126.48 105.38 8.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 73.310000000000002 110.875 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.713 ' CG2' HG12 ' D' ' 18' ' ' VAL . 29.5 m -115.85 122.54 69.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 74.340000000000003 111.104 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -106.92 108.35 19.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 75.310000000000002 110.855 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.739 ' CZ ' HG22 ' D' ' 31' ' ' ILE . 4.6 m-30 60.25 64.06 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 74.319999999999993 110.854 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.69 137.05 35.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 60.210000000000001 111.064 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.78 77.72 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 65.510000000000005 110.845 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.536 HG23 ' CG1' ' D' ' 24' ' ' VAL . 6.7 p -113.69 137.02 48.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 50.240000000000002 111.11 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.44 -46.15 50.19 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.72 . . . . 33.119999999999997 112.485 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 11.6 m -160.6 125.12 3.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.358 . . . . 71.109999999999999 110.895 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -106.35 99.82 9.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 73.129999999999995 110.907 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.7 163.16 16.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 64.230000000000004 110.885 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.27 -133.84 42.49 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.733 . . . . 74.329999999999998 112.5 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.412 ' HB2' ' CZ ' ' J' ' 4' ' ' PHE . . . -83.16 113.36 20.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.781 0.324 . . . . 75.209999999999994 111.103 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.433 HG23 ' HE2' ' E' ' 20' ' ' PHE . 2.2 mp -119.7 111.73 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 72.140000000000001 111.153 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 mt -131.1 114.63 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 73.25 111.153 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.39 -42.78 84.24 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 62.009999999999998 112.461 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.663 HD22 ' O ' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -168.89 147.05 3.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.807 0.337 . . . . 74.310000000000002 110.926 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mtp -124.4 120.41 32.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 74.329999999999998 110.896 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.439 HG23 HD23 ' E' ' 34' ' ' LEU . 89.0 t -127.44 109.91 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 75.140000000000001 111.097 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.4 25.51 19.98 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 55.439999999999998 112.457 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.02 -168.77 25.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.728 . . . . 72.430000000000007 112.459 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.544 HG23 ' O ' ' D' ' 39' ' ' VAL . 4.4 p -167.68 122.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.352 . . . . 73.430000000000007 111.146 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.553 HG22 ' HA ' ' D' ' 40' ' ' VAL . 18.1 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 75.299999999999997 111.119 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.835 0.35 . . . . 61.210000000000001 110.874 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.45 87.02 5.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 52.109999999999999 111.065 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -57.26 -24.41 54.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 74.049999999999997 110.876 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 4' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -167.29 115.06 0.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 60.210000000000001 110.836 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -128.93 109.19 11.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 75.409999999999997 110.89 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -108.74 120.99 44.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 63.25 110.863 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -127.7 102.23 6.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 73.129999999999995 110.895 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -148.93 176.02 10.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 53.219999999999999 110.833 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.47 -10.39 38.64 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.715 -0.755 . . . . 70.140000000000001 112.493 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.38 114.69 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 71.140000000000001 110.945 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -103.08 120.62 41.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 72.129999999999995 110.888 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 51.0 t -132.16 114.04 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 73.030000000000001 111.085 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 3.7 m-70 -114.33 124.5 52.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 75.430000000000007 110.901 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -133.69 115.69 14.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 52.229999999999997 110.842 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -121.26 136.73 54.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 75.209999999999994 110.92 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -131.44 115.56 16.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 74.349999999999994 110.911 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.522 HD12 ' CE1' ' F' ' 19' ' ' PHE . 3.5 mm? -119.63 110.4 16.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 63.329999999999998 110.908 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.737 HG12 ' CG2' ' G' ' 18' ' ' VAL . 27.0 m -116.57 119.2 61.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 72.430000000000007 111.157 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.522 ' CE1' HD12 ' F' ' 17' ' ' LEU . 13.8 m-85 -106.02 107.09 17.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 75.019999999999996 110.859 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 58.97 65.51 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 72.439999999999998 110.914 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.28 137.85 32.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 50.020000000000003 111.118 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 57.01 77.51 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 74.420000000000002 110.877 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.603 ' CG1' HG23 ' G' ' 24' ' ' VAL . 7.7 p -112.33 139.11 38.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 61.310000000000002 111.187 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.75 -47.48 55.48 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.797 -0.716 . . . . 60.020000000000003 112.474 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 12.1 m -160.83 124.54 3.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 75.120000000000005 110.912 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 27' ' ' ASN . . . . . 0.601 ' CG ' HG21 ' F' ' 31' ' ' ILE . 18.1 m-20 -106.7 101.61 11.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 63.219999999999999 110.935 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.65 161.85 17.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 73.430000000000007 110.897 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.16 -137.18 49.33 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.777 -0.725 . . . . 74.319999999999993 112.513 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.561 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . . . -83.0 113.27 20.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 74.239999999999995 111.126 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.73 HG22 ' CZ ' ' G' ' 20' ' ' PHE . 1.9 mp -122.44 110.83 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 64.340000000000003 111.142 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 18.4 mt -137.86 115.92 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 65.230000000000004 111.177 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.19 -48.74 32.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 42.109999999999999 112.47 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.67 ' C ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -172.91 148.81 1.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.789 0.328 . . . . 70.120000000000005 110.901 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 1.3 mtp -123.63 123.25 40.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 65.25 110.868 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.498 HG11 HG21 ' A' ' 36' ' ' VAL . 58.0 t -112.6 115.33 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 73.040000000000006 111.126 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.1 22.63 43.64 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.74 . . . . 71.150000000000006 112.46 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.96 -169.67 25.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 52.420000000000002 112.497 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.517 ' O ' HG23 ' G' ' 39' ' ' VAL . 4.3 p -169.08 121.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 62.340000000000003 111.134 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.723 ' HA ' HG22 ' G' ' 40' ' ' VAL . 18.1 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 62.299999999999997 111.149 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.859 0.362 . . . . 71.209999999999994 110.912 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.04 87.2 5.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 52.43 111.107 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -56.77 -23.88 46.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 62.210000000000001 110.901 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 4' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' B' ' 30' ' ' ALA . 0.3 OUTLIER -167.43 114.99 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 65.439999999999998 110.877 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -128.45 108.91 10.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 74.530000000000001 110.879 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 6' ' ' HIS . . . . . 0.417 ' CE1' ' HG3' ' G' ' 11' ' ' GLU . 23.8 t-80 -107.52 120.76 43.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 71.450000000000003 110.868 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -127.08 101.48 6.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 73.420000000000002 110.854 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -148.36 175.42 11.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 60.340000000000003 110.886 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.63 -9.99 39.24 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.741 -0.742 . . . . 73.019999999999996 112.47 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.45 114.14 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.356 . . . . 73.510000000000005 110.951 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 11' ' ' GLU . . . . . 0.417 ' HG3' ' CE1' ' G' ' 6' ' ' HIS . 3.4 tt0 -102.21 120.04 39.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 62.140000000000001 110.881 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -131.46 114.04 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 74.319999999999993 111.102 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -115.27 123.61 49.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 71.25 110.898 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -133.38 116.67 16.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 70.219999999999999 110.825 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -122.37 135.49 54.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 73.310000000000002 110.889 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 16' ' ' LYS . . . . . 0.44 ' O ' HD22 ' G' ' 17' ' ' LEU . 0.8 OUTLIER -127.7 116.11 19.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 72.319999999999993 110.93 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.494 HD12 ' HE1' ' G' ' 19' ' ' PHE . 3.9 mm? -121.37 110.61 16.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 70.099999999999994 110.94 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.737 ' CG2' HG12 ' F' ' 18' ' ' VAL . 27.0 m -118.74 119.17 60.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 74.409999999999997 111.113 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.494 ' HE1' HD12 ' G' ' 17' ' ' LEU . 6.9 m-85 -105.9 110.0 22.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 74.340000000000003 110.913 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 0.73 ' CZ ' HG22 ' F' ' 31' ' ' ILE . 4.6 m-30 59.47 63.58 1.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 64.340000000000003 110.85 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.4 137.84 32.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 71.230000000000004 111.109 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.38 77.69 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 75.329999999999998 110.868 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.603 HG23 ' CG1' ' F' ' 24' ' ' VAL . 6.9 p -113.54 137.54 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 61.109999999999999 111.138 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.62 -46.76 53.19 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 64.040000000000006 112.512 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 11.6 m -160.82 124.84 3.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 72.329999999999998 110.848 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 27' ' ' ASN . . . . . 0.521 ' CG ' HG21 ' G' ' 31' ' ' ILE . 21.7 m-20 -106.5 101.31 10.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 75.310000000000002 110.91 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.78 161.94 17.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.439999999999998 110.905 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.86 -136.18 48.87 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 62.240000000000002 112.494 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.56 ' HB2' ' CE2' ' B' ' 4' ' ' PHE . . . -83.17 113.89 20.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.752 0.31 . . . . 64.510000000000005 111.079 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.735 HG22 ' CZ ' ' H' ' 20' ' ' PHE . 2.0 mp -123.23 111.33 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 75.310000000000002 111.164 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 18.2 mt -136.27 118.63 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 72.010000000000005 111.156 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 33' ' ' GLY . . . . . 0.403 ' HA3' ' HB3' ' G' ' 19' ' ' PHE . . . -50.16 -48.15 40.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 64.109999999999999 112.521 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.706 HD22 ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -171.07 151.13 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 62.219999999999999 110.91 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 1.3 mtp -122.65 123.43 41.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 75.510000000000005 110.898 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.504 HG23 HD23 ' G' ' 34' ' ' LEU . 65.4 t -120.19 111.03 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 73.219999999999999 111.172 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.22 23.52 47.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 75.420000000000002 112.486 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.16 -169.77 25.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.758 . . . . 72.329999999999998 112.503 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.525 ' O ' HG23 ' H' ' 39' ' ' VAL . 3.3 p -168.27 120.82 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.909 0.385 . . . . 64.329999999999998 111.137 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.733 ' HA ' HG22 ' H' ' 40' ' ' VAL . 17.6 m . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 50.229999999999997 111.114 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.772 0.32 . . . . 70.299999999999997 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.19 87.22 5.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 54.409999999999997 111.095 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -57.1 -24.09 51.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 73.299999999999997 110.896 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 4' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' C' ' 30' ' ' ALA . 0.3 OUTLIER -167.64 115.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 73.549999999999997 110.903 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -128.66 109.03 10.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 64.420000000000002 110.909 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -107.53 120.22 41.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 65.319999999999993 110.855 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -126.74 101.28 6.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 74.230000000000004 110.887 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -148.29 175.22 11.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 72.019999999999996 110.834 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.48 -10.14 39.25 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 60.43 112.492 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.32 114.2 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 73.140000000000001 110.919 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -102.04 120.07 39.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 74.430000000000007 110.863 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 48.5 t -131.48 114.27 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 45.119999999999997 111.093 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 61.5 m170 -115.5 123.6 48.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 64.010000000000005 110.838 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -133.25 117.06 16.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 70.340000000000003 110.88 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -123.0 135.13 54.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 73.25 110.925 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 16' ' ' LYS . . . . . 0.501 ' O ' HD22 ' H' ' 17' ' ' LEU . 0.8 OUTLIER -125.78 116.42 21.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 63.409999999999997 110.924 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.503 HD12 ' HE1' ' H' ' 19' ' ' PHE . 4.0 mm? -123.18 109.92 14.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 73.239999999999995 110.934 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.727 ' CG2' HG12 ' G' ' 18' ' ' VAL . 27.3 m -119.31 120.09 62.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 54.219999999999999 111.124 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.503 ' HE1' HD12 ' H' ' 17' ' ' LEU . 4.6 m-85 -106.48 109.73 21.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 74.010000000000005 110.881 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 20' ' ' PHE . . . . . 0.735 ' CZ ' HG22 ' G' ' 31' ' ' ILE . 4.5 m-30 59.52 63.4 1.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 71.299999999999997 110.862 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.07 137.23 33.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 54.030000000000001 111.083 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.33 77.23 0.26 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 63.340000000000003 110.84 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 24' ' ' VAL . . . . . 0.587 HG23 ' CG1' ' G' ' 24' ' ' VAL . 6.8 p -113.29 137.95 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 65.109999999999999 111.144 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.81 -46.83 51.31 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.745 -0.741 . . . . 63.219999999999999 112.49 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 11.9 m -160.41 125.39 3.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 65.319999999999993 110.914 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 27' ' ' ASN . . . . . 0.448 ' ND2' HG21 ' H' ' 31' ' ' ILE . 22.3 m-20 -107.04 100.75 10.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 62.219999999999999 110.867 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.93 161.76 17.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 41.009999999999998 110.923 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.89 -136.18 46.36 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 71.530000000000001 112.47 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 30' ' ' ALA . . . . . 0.538 ' HB2' ' CE2' ' C' ' 4' ' ' PHE . . . -82.88 113.77 20.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.723 0.297 . . . . 71.010000000000005 111.077 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.744 HG22 ' CZ ' ' I' ' 20' ' ' PHE . 2.0 mp -122.34 110.5 27.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 71.209999999999994 111.151 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 14.1 mt -134.14 118.88 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 63.43 111.137 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.1 -46.66 56.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 31.23 112.499 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.777 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -170.26 150.48 3.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.844 0.354 . . . . 71.439999999999998 110.904 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 1.4 mtp -121.84 122.14 38.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 74.209999999999994 110.898 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.52 HG23 HD23 ' H' ' 34' ' ' LEU . 69.1 t -121.27 111.15 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 62.340000000000003 111.105 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 54.29 24.75 30.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 52.030000000000001 112.517 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.73 -169.63 25.44 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.737 -0.744 . . . . 64.329999999999998 112.476 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.525 HG23 ' O ' ' G' ' 39' ' ' VAL . 3.4 p -168.32 120.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 72.299999999999997 111.121 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' H' H ' 40' ' ' VAL . . . . . 0.734 ' HA ' HG22 ' I' ' 40' ' ' VAL . 18.0 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 54.530000000000001 111.128 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.843 0.354 . . . . 62.43 110.914 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.82 86.5 5.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 65.109999999999999 111.081 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -56.76 -24.22 48.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 75.530000000000001 110.912 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 4' ' ' PHE . . . . . 0.531 ' CE2' ' HB2' ' D' ' 30' ' ' ALA . 0.3 OUTLIER -167.92 115.38 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 74.540000000000006 110.865 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -128.6 109.09 11.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 74.230000000000004 110.905 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 6' ' ' HIS . . . . . 0.421 ' CE1' ' HG3' ' I' ' 11' ' ' GLU . 23.1 t-80 -107.18 120.11 41.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 63.130000000000003 110.877 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -126.86 101.36 6.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 64.140000000000001 110.875 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -148.5 174.82 11.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 73.420000000000002 110.843 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.72 -9.72 39.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.731 . . . . 73.430000000000007 112.497 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.16 113.94 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.917 0.389 . . . . 74.510000000000005 110.902 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 11' ' ' GLU . . . . . 0.421 ' HG3' ' CE1' ' I' ' 6' ' ' HIS . 3.6 tt0 -101.86 120.31 40.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.109 -0.496 . . . . 74.099999999999994 110.841 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -131.54 114.29 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 54.229999999999997 111.134 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -115.44 123.56 48.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 75.230000000000004 110.847 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -133.38 117.19 16.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 74.340000000000003 110.833 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -123.76 135.06 53.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 65.420000000000002 110.915 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 16' ' ' LYS . . . . . 0.565 ' O ' HD22 ' I' ' 17' ' ' LEU . 0.8 OUTLIER -124.44 116.73 23.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 73.040000000000006 110.926 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.565 HD22 ' O ' ' I' ' 16' ' ' LYS . 4.2 mm? -125.09 108.98 12.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 62.450000000000003 110.93 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 18' ' ' VAL . . . . . 0.704 HG12 ' CG2' ' J' ' 18' ' ' VAL . 27.8 m -119.01 120.21 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 73.200000000000003 111.116 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 19' ' ' PHE . . . . . 0.484 ' HE1' HD12 ' I' ' 17' ' ' LEU . 2.8 m-85 -106.09 109.1 20.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 73.209999999999994 110.867 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 20' ' ' PHE . . . . . 0.744 ' CZ ' HG22 ' H' ' 31' ' ' ILE . 4.5 m-30 59.79 64.1 1.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 72.049999999999997 110.889 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.61 137.02 35.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 65.420000000000002 111.075 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.15 77.46 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 60.340000000000003 110.854 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.613 ' CG1' HG23 ' J' ' 24' ' ' VAL . 7.2 p -113.4 137.52 46.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 75.310000000000002 111.099 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.55 -46.3 55.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 43.329999999999998 112.451 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 12.0 m -160.47 125.32 3.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.892 0.377 . . . . 64.340000000000003 110.865 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 27' ' ' ASN . . . . . 0.436 ' OD1' HG21 ' I' ' 24' ' ' VAL . 20.8 m-20 -106.44 99.82 9.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 62.520000000000003 110.874 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.57 161.67 18.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 73.019999999999996 110.864 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.45 -135.47 44.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.74 . . . . 63.0 112.485 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.524 ' HB2' ' CE2' ' D' ' 4' ' ' PHE . . . -82.72 113.78 20.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.724 0.297 . . . . 72.230000000000004 111.141 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.726 HG22 ' CZ ' ' J' ' 20' ' ' PHE . 2.1 mp -121.9 110.38 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 65.209999999999994 111.16 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 13.6 mt -133.11 119.0 34.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 62.130000000000003 111.171 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.04 -46.87 68.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.761 . . . . 73.439999999999998 112.526 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.751 HD22 ' O ' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -168.56 149.14 4.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.746 0.308 . . . . 62.210000000000001 110.959 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 1.5 mtp -122.33 120.51 34.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 73.140000000000001 110.879 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.527 HG23 HD23 ' I' ' 34' ' ' LEU . 74.2 t -121.26 110.71 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 73.340000000000003 111.101 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.16 25.67 25.99 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.748 -0.739 . . . . 72.329999999999998 112.539 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.01 -169.27 26.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.786 -0.721 . . . . 75.400000000000006 112.482 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 0.548 ' O ' HG23 ' J' ' 39' ' ' VAL . 3.7 p -168.07 120.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.356 . . . . 72.230000000000004 111.182 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' I' I ' 40' ' ' VAL . . . . . 0.734 HG22 ' HA ' ' H' ' 40' ' ' VAL . 18.6 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 75.549999999999997 111.115 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.842 0.354 . . . . 65.430000000000007 110.928 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.88 87.37 5.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 55.039999999999999 111.111 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -56.47 -25.01 49.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 75.140000000000001 110.864 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 4' ' ' PHE . . . . . 0.412 ' CZ ' ' HB2' ' E' ' 30' ' ' ALA . 0.3 OUTLIER -167.66 115.44 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 74.450000000000003 110.916 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -127.77 109.03 11.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 75.530000000000001 110.905 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -107.4 119.97 40.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 63.219999999999999 110.845 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -126.21 101.17 6.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 71.049999999999997 110.849 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 2.9 m -149.27 171.58 16.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 71.219999999999999 110.876 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.6 -8.96 44.94 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.75 . . . . 41.420000000000002 112.445 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -170.98 112.58 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 74.209999999999994 110.884 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -101.99 120.28 40.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 72.530000000000001 110.864 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -131.23 114.97 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 52.009999999999998 111.138 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -115.48 122.68 46.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 72.200000000000003 110.891 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -132.24 117.42 18.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 74.400000000000006 110.839 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 27.0 pt20 -124.07 136.04 53.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 72.349999999999994 110.928 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 16' ' ' LYS . . . . . 0.596 ' O ' HD22 ' J' ' 17' ' ' LEU . 0.8 OUTLIER -124.65 115.54 20.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 71.099999999999994 110.886 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.596 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.3 mm? -126.44 105.96 9.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 72.430000000000007 110.861 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.704 ' CG2' HG12 ' I' ' 18' ' ' VAL . 30.6 m -115.9 122.44 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 73.349999999999994 111.186 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -107.1 108.29 19.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 65.109999999999999 110.887 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 20' ' ' PHE . . . . . 0.726 ' CZ ' HG22 ' I' ' 31' ' ' ILE . 4.5 m-30 60.02 64.23 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 75.430000000000007 110.888 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.5 137.05 36.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 62.43 111.083 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.91 77.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 71.25 110.867 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.613 HG23 ' CG1' ' I' ' 24' ' ' VAL . 7.0 p -114.28 137.58 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 63.32 111.088 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.68 -46.63 53.26 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.737 -0.744 . . . . 55.030000000000001 112.479 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 11.5 m -161.02 124.76 3.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.888 0.375 . . . . 44.109999999999999 110.839 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -105.79 99.28 8.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 75.409999999999997 110.912 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.72 162.26 17.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 71.439999999999998 110.917 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.08 -134.99 40.08 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.788 -0.72 . . . . 60.350000000000001 112.516 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 0.446 ' HB2' ' CE2' ' E' ' 4' ' ' PHE . . . -82.4 113.45 20.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 63.409999999999997 111.102 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.451 HG23 ' HE2' ' J' ' 20' ' ' PHE . 2.2 mp -119.92 112.14 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 62.32 111.126 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 11.6 mt -130.25 114.28 28.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 54.009999999999998 111.14 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.9 -43.14 81.77 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.717 -0.754 . . . . 45.350000000000001 112.53 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.66 HD22 ' O ' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -168.73 146.81 4.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.82 0.343 . . . . 74.519999999999996 110.919 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mtp -123.54 120.05 31.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 74.200000000000003 110.916 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.456 HG23 HD23 ' J' ' 34' ' ' LEU . 82.0 t -127.83 109.95 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 51.32 111.128 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.95 24.93 22.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.673 -0.775 . . . . 74.519999999999996 112.553 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.08 -168.65 26.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 65.109999999999999 112.455 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.548 HG23 ' O ' ' I' ' 39' ' ' VAL . 4.0 p -168.25 121.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 55.409999999999997 111.146 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.631 HG22 ' HA ' ' I' ' 40' ' ' VAL . 18.2 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 60.439999999999998 111.138 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.828 0.347 . . . . 41.399999999999999 110.817 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.75 78.16 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 51.520000000000003 111.12 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.408 ' HA ' ' HA2' ' F' ' 29' ' ' GLY . 1.8 mp0 -53.96 -47.84 70.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 71.530000000000001 110.909 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.614 ' CZ ' ' HB2' ' F' ' 30' ' ' ALA . 17.5 m-85 -142.51 113.13 7.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 42.299999999999997 110.891 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -138.33 108.62 6.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 73.120000000000005 110.869 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -111.67 130.86 55.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 73.129999999999995 110.861 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -135.33 101.89 4.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 71.540000000000006 110.885 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -154.77 127.63 8.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 54.200000000000003 110.833 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.62 -28.98 31.25 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 73.019999999999996 112.505 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -149.62 112.46 4.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 74.120000000000005 110.912 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -110.04 124.06 50.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 73.010000000000005 110.907 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.8 t -135.33 113.56 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 71.420000000000002 111.127 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -120.03 132.75 55.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 73.540000000000006 110.83 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -134.95 122.68 22.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 54.409999999999997 110.893 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -129.2 132.87 47.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 72.010000000000005 110.89 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -128.57 116.4 19.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 73.319999999999993 110.906 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.473 HD12 ' HE1' ' A' ' 19' ' ' PHE . 3.8 mm? -115.05 110.85 20.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 70.450000000000003 110.913 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.716 HG12 ' CG2' ' B' ' 18' ' ' VAL . 27.0 m -115.66 122.37 69.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 75.010000000000005 111.115 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.473 ' HE1' HD12 ' A' ' 17' ' ' LEU . 8.8 m-85 -105.99 107.63 18.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 74.239999999999995 110.854 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 59.16 89.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 65.239999999999995 110.878 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.31 129.79 55.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 72.430000000000007 111.092 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 62.96 102.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 64.430000000000007 110.909 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.69 HG13 HG23 ' B' ' 24' ' ' VAL . 13.5 p -146.22 135.7 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 75.25 111.109 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.54 -48.76 84.44 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.799 -0.715 . . . . 71.439999999999998 112.492 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.3 m -160.57 139.78 10.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 42.439999999999998 110.87 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.47 ' OD1' HG21 ' A' ' 24' ' ' VAL . 60.8 m-20 -114.38 103.47 11.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 70.129999999999995 110.932 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -115.31 176.3 5.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 75.109999999999999 110.921 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.28 -135.38 27.57 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.731 -0.747 . . . . 62.109999999999999 112.515 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.544 ' HB2' ' CZ ' ' F' ' 4' ' ' PHE . . . -87.96 113.8 23.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 71.219999999999999 111.1 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.679 HG22 ' CZ ' ' B' ' 20' ' ' PHE . 1.9 mp -122.57 106.69 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 41.119999999999997 111.122 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 mt -135.17 117.41 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 64.109999999999999 111.115 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.54 -49.67 20.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 71.310000000000002 112.47 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.835 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -155.94 152.29 28.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 64.409999999999997 110.915 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.45 ' HE1' HG12 ' B' ' 39' ' ' VAL . 7.8 mmm -125.26 123.03 38.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 74.549999999999997 110.84 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.743 HG21 HG21 ' F' ' 36' ' ' VAL . 90.7 t -109.22 115.12 48.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 45.329999999999998 111.091 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.67 -51.06 0.78 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 71.5 112.517 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.23 152.68 6.55 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.702 -0.761 . . . . 74.209999999999994 112.45 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.926 HG23 HG13 ' B' ' 39' ' ' VAL . 4.0 p -114.78 143.2 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 61.020000000000003 111.132 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.659 ' CG2' HG12 ' B' ' 40' ' ' VAL . 18.4 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 72.519999999999996 111.068 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.838 0.351 . . . . 73.219999999999999 110.903 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.54 78.57 1.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 75.25 111.068 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.403 ' HA ' ' HA2' ' G' ' 29' ' ' GLY . 1.8 mp0 -54.0 -46.5 71.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 74.019999999999996 110.897 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.645 ' CZ ' ' HB2' ' G' ' 30' ' ' ALA . 14.7 m-85 -144.09 113.4 6.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 75.340000000000003 110.953 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -135.96 109.33 7.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 72.209999999999994 110.901 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -112.23 131.29 55.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 73.430000000000007 110.88 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -135.81 102.24 5.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 65.040000000000006 110.828 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 10.7 t -156.27 126.79 6.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 62.130000000000003 110.907 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.3 -28.35 34.81 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 72.319999999999993 112.491 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -149.65 111.43 4.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.362 . . . . 72.299999999999997 110.919 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -106.85 125.16 50.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 75.420000000000002 110.895 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.4 t -134.3 113.39 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 71.299999999999997 111.117 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 60.0 m170 -120.34 131.6 54.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 62.43 110.842 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -134.81 123.29 23.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 64.239999999999995 110.824 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -129.07 132.54 47.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.433 . . . . 64.400000000000006 110.911 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -126.94 115.82 19.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 52.219999999999999 110.917 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.529 HD12 ' HE1' ' B' ' 19' ' ' PHE . 3.7 mm? -118.19 109.95 16.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 72.310000000000002 110.929 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.722 HG12 ' CG2' ' C' ' 18' ' ' VAL . 33.0 m -117.3 121.55 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 75.540000000000006 111.099 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.529 ' HE1' HD12 ' B' ' 17' ' ' LEU . 3.9 m-30 -103.94 110.13 22.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 74.120000000000005 110.903 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.679 ' CZ ' HG22 ' A' ' 31' ' ' ILE . 4.5 m-30 59.3 88.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 71.420000000000002 110.887 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.5 129.42 55.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.349999999999994 111.149 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 62.92 103.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 65.219999999999999 110.872 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.69 HG23 HG13 ' A' ' 24' ' ' VAL . 13.9 p -147.48 134.1 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 73.140000000000001 111.11 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.93 -47.2 92.45 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 61.520000000000003 112.521 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 16.5 m -160.45 139.28 10.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.37 . . . . 71.420000000000002 110.858 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.542 ' OD1' HG21 ' B' ' 24' ' ' VAL . 57.6 m-20 -113.78 103.42 11.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 72.140000000000001 110.897 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -115.57 177.28 4.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 73.430000000000007 110.899 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.52 -135.49 28.57 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 54.109999999999999 112.488 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.566 ' HB2' ' CZ ' ' G' ' 4' ' ' PHE . . . -88.74 113.69 24.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 65.219999999999999 111.058 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.687 HG22 ' CZ ' ' C' ' 20' ' ' PHE . 1.9 mp -122.41 106.67 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 72.140000000000001 111.123 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -133.77 117.49 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 75.340000000000003 111.12 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.422 ' HA3' ' HB3' ' B' ' 19' ' ' PHE . . . -46.59 -50.45 14.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 55.109999999999999 112.516 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.829 ' N ' HD13 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -154.85 150.97 28.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 64.200000000000003 110.949 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 14.4 mmm -123.72 120.56 33.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 62.0 110.865 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.706 HG21 HG21 ' G' ' 36' ' ' VAL . 88.4 t -110.02 114.69 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 73.209999999999994 111.062 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.8 -50.9 0.79 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 73.150000000000006 112.466 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.34 151.96 6.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.75 . . . . 64.430000000000007 112.498 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.939 HG23 HG13 ' C' ' 39' ' ' VAL . 3.3 p -115.77 143.0 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 62.119999999999997 111.145 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.659 HG12 ' CG2' ' A' ' 40' ' ' VAL . 18.6 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 74.120000000000005 111.124 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.852 0.358 . . . . 73.0 110.854 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 2' ' ' ALA . . . . . 0.403 ' HA ' ' HB3' ' D' ' 2' ' ' ALA . . . -113.69 78.23 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 73.209999999999994 111.103 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.4 ' HA ' ' HA2' ' H' ' 29' ' ' GLY . 1.8 mp0 -54.15 -46.86 72.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.437 . . . . 73.420000000000002 110.871 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 4' ' ' PHE . . . . . 0.642 ' CZ ' ' HB2' ' H' ' 30' ' ' ALA . 16.9 m-85 -143.59 113.76 7.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 72.109999999999999 110.883 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -134.89 108.71 8.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 75.340000000000003 110.842 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -112.21 130.35 55.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 73.409999999999997 110.859 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -134.7 101.9 5.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 73.450000000000003 110.822 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -156.17 126.85 6.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 74.109999999999999 110.876 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.66 -28.14 37.11 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 71.230000000000004 112.458 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -149.5 112.28 4.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.897 0.379 . . . . 65.239999999999995 110.886 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -106.46 125.3 50.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 74.519999999999996 110.877 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 24.1 t -133.98 113.52 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 64.310000000000002 111.148 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -120.0 131.18 55.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 73.299999999999997 110.838 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -134.98 122.48 21.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 61.32 110.883 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -129.68 132.48 46.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 74.450000000000003 110.928 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -125.65 115.91 20.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 71.209999999999994 110.916 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.525 HD12 ' HE1' ' C' ' 19' ' ' PHE . 3.7 mm? -119.36 110.01 16.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 62.5 110.93 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.722 ' CG2' HG12 ' B' ' 18' ' ' VAL . 34.7 m -117.8 122.26 69.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 74.209999999999994 111.173 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.525 ' HE1' HD12 ' C' ' 17' ' ' LEU . 2.9 m-30 -103.55 110.47 22.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 73.25 110.844 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.687 ' CZ ' HG22 ' B' ' 31' ' ' ILE . 4.3 m-30 59.0 88.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 74.310000000000002 110.907 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.55 129.58 55.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 62.340000000000003 111.087 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.32 103.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 71.430000000000007 110.85 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.688 HG23 HG13 ' B' ' 24' ' ' VAL . 14.8 p -147.8 133.3 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 72.25 111.147 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.42 -46.56 94.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.69 -0.767 . . . . 72.319999999999993 112.489 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 16.8 m -160.16 139.6 11.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.356 . . . . 61.030000000000001 110.905 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.547 ' OD1' HG21 ' C' ' 24' ' ' VAL . 57.0 m-20 -113.55 103.31 11.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 72.349999999999994 110.894 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.406 ' C ' HD11 ' C' ' 31' ' ' ILE . 1.6 tptm -116.0 177.59 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 64.420000000000002 110.919 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.49 -135.51 28.42 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 72.239999999999995 112.464 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.554 ' HB2' ' CZ ' ' H' ' 4' ' ' PHE . . . -88.48 113.71 24.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.769 0.319 . . . . 70.430000000000007 111.109 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.687 HG22 ' CZ ' ' D' ' 20' ' ' PHE . 1.9 mp -122.69 106.57 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 72.319999999999993 111.116 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -133.62 118.32 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 71.239999999999995 111.112 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.429 ' HA3' ' HB3' ' C' ' 19' ' ' PHE . . . -47.11 -50.92 15.15 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.751 . . . . 71.140000000000001 112.487 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.832 ' N ' HD13 ' C' ' 34' ' ' LEU . 0.0 OUTLIER -153.75 150.98 29.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.812 0.339 . . . . 74.319999999999993 110.932 -179.902 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 15.8 mmm -124.87 119.14 27.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 63.229999999999997 110.916 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.747 HG21 HG21 ' H' ' 36' ' ' VAL . 86.6 t -110.26 115.54 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 62.310000000000002 111.124 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.06 -51.45 0.76 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 55.240000000000002 112.487 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.47 151.71 6.11 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.776 -0.726 . . . . 54.240000000000002 112.509 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.939 HG13 HG23 ' B' ' 39' ' ' VAL . 3.2 p -115.05 142.85 26.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 73.209999999999994 111.169 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.646 ' CG2' HG12 ' D' ' 40' ' ' VAL . 19.7 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 53.420000000000002 111.152 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.793 0.33 . . . . 63.329999999999998 110.853 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 2' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' C' ' 2' ' ' ALA . . . -113.12 76.45 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 71.549999999999997 111.095 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 3' ' ' GLU . . . . . 0.4 ' HA ' ' HA2' ' I' ' 29' ' ' GLY . 1.8 mp0 -53.33 -47.71 69.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 73.310000000000002 110.874 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 4' ' ' PHE . . . . . 0.631 ' CZ ' ' HB2' ' I' ' 30' ' ' ALA . 17.8 m-85 -143.7 113.57 7.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 63.399999999999999 110.846 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -133.24 108.54 8.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 74.120000000000005 110.873 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -111.79 129.51 56.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 65.120000000000005 110.852 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -133.31 101.27 5.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 72.400000000000006 110.828 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -156.71 127.09 6.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 75.310000000000002 110.872 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.85 -27.62 44.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 72.450000000000003 112.481 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -149.3 112.93 5.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 75.409999999999997 110.909 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -106.48 126.06 51.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.063 -0.517 . . . . 72.409999999999997 110.906 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 24.6 t -134.07 114.13 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 64.450000000000003 111.136 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 59.6 m170 -120.04 132.26 55.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 63.219999999999999 110.863 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -135.73 122.81 21.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 64.420000000000002 110.808 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -130.25 132.08 45.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 73.319999999999993 110.905 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -124.73 115.49 20.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 73.430000000000007 110.89 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.434 ' CB ' HD13 ' E' ' 17' ' ' LEU . 3.8 mm? -121.12 110.16 15.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 72.019999999999996 110.93 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.705 ' CG2' HG12 ' C' ' 18' ' ' VAL . 26.8 m -118.36 122.74 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 71.010000000000005 111.094 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.43 ' HE1' HD12 ' D' ' 17' ' ' LEU . 2.2 m-30 -102.59 109.64 21.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 74.140000000000001 110.87 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.687 ' CZ ' HG22 ' C' ' 31' ' ' ILE . 4.4 m-30 59.03 89.17 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 43.310000000000002 110.866 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.94 129.44 55.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 62.420000000000002 111.122 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.71 103.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 54.420000000000002 110.847 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.671 HG23 HG13 ' C' ' 24' ' ' VAL . 14.5 p -148.05 133.0 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 65.200000000000003 111.182 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.64 -46.62 93.88 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 45.109999999999999 112.518 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 17.1 m -159.74 139.87 11.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.903 0.382 . . . . 62.030000000000001 110.886 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.544 ' OD1' HG21 ' D' ' 24' ' ' VAL . 57.4 m-20 -113.02 103.15 11.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 54.009999999999998 110.888 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 0.418 ' C ' HD11 ' D' ' 31' ' ' ILE . 1.7 tptm -116.64 177.71 4.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 73.310000000000002 110.878 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.96 -134.83 31.32 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 63.009999999999998 112.485 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.547 ' HB2' ' CZ ' ' I' ' 4' ' ' PHE . . . -89.14 113.94 25.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 72.219999999999999 111.12 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.7 HG22 ' CZ ' ' E' ' 20' ' ' PHE . 1.9 mp -122.99 106.86 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 54.32 111.14 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -133.61 120.25 36.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 63.329999999999998 111.095 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 33' ' ' GLY . . . . . 0.469 ' C ' HD13 ' D' ' 34' ' ' LEU . . . -48.96 -52.89 20.32 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.722 -0.751 . . . . 65.040000000000006 112.505 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.817 ' N ' HD13 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -151.19 148.96 28.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 72.340000000000003 110.895 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 15.7 mmm -124.06 118.38 26.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 65.129999999999995 110.893 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.855 HG21 HG21 ' I' ' 36' ' ' VAL . 85.0 t -111.46 116.0 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 72.540000000000006 111.126 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.56 -51.96 0.73 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.79 -0.719 . . . . 73.329999999999998 112.494 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.18 152.25 6.28 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 45.119999999999997 112.483 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.9 HG13 HG23 ' C' ' 39' ' ' VAL . 3.2 p -114.86 143.02 25.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.916 0.389 . . . . 71.420000000000002 111.116 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.653 ' CG2' HG12 ' E' ' 40' ' ' VAL . 19.2 m . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 72.5 111.101 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.833 0.349 . . . . 74.430000000000007 110.839 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.0 79.61 1.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 70.030000000000001 111.096 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 3' ' ' GLU . . . . . 0.414 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . 1.8 mp0 -51.36 -46.28 62.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 72.239999999999995 110.893 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 4' ' ' PHE . . . . . 0.612 ' CZ ' ' HB2' ' J' ' 30' ' ' ALA . 19.6 m-85 -143.53 114.9 7.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 71.129999999999995 110.866 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -131.64 107.7 9.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 74.420000000000002 110.893 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -112.35 128.93 56.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 73.25 110.899 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -131.4 100.26 5.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 72.400000000000006 110.836 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -157.07 127.93 6.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 71.409999999999997 110.854 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.19 -25.88 57.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 61.329999999999998 112.493 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -149.22 112.16 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.366 . . . . 72.140000000000001 110.875 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -105.58 126.5 52.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.085 -0.507 . . . . 75.409999999999997 110.89 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 24.6 t -132.8 114.29 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 71.209999999999994 111.116 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -119.99 131.18 55.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 75.329999999999998 110.867 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -134.79 122.83 22.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 74.109999999999999 110.874 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -132.32 132.96 43.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 72.409999999999997 110.917 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 16' ' ' LYS . . . . . 0.412 ' O ' HD22 ' E' ' 17' ' ' LEU . 6.7 tttp -125.48 114.97 19.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 72.219999999999999 110.929 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.434 HD13 ' CB ' ' D' ' 17' ' ' LEU . 3.9 mm? -121.75 107.7 12.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 70.129999999999995 110.906 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.691 ' CG2' HG12 ' D' ' 18' ' ' VAL . 29.3 m -115.31 125.45 72.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 74.349999999999994 111.165 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -102.85 108.72 20.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 75.329999999999998 110.869 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.7 ' CZ ' HG22 ' D' ' 31' ' ' ILE . 4.6 m-30 59.44 89.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 70.230000000000004 110.866 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.84 129.87 55.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 74.439999999999998 111.088 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.04 104.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 75.549999999999997 110.87 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.659 HG23 ' CG1' ' D' ' 24' ' ' VAL . 13.7 p -150.06 132.76 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 74.239999999999995 111.138 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.45 -46.42 93.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 55.350000000000001 112.478 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 16.4 m -160.25 140.1 11.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.37 . . . . 74.430000000000007 110.826 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.541 ' OD1' HG21 ' E' ' 24' ' ' VAL . 56.0 m-20 -112.12 102.4 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 71.239999999999995 110.882 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -116.76 178.15 4.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 73.150000000000006 110.893 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.6 -134.39 34.42 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.759 . . . . 71.040000000000006 112.498 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.524 ' HB2' ' CZ ' ' J' ' 4' ' ' PHE . . . -88.93 113.76 24.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 74.409999999999997 111.105 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.444 HG23 ' HE2' ' E' ' 20' ' ' PHE . 2.0 mp -122.63 107.31 19.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 73.019999999999996 111.136 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -132.32 118.22 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 75.299999999999997 111.132 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 33' ' ' GLY . . . . . 0.613 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -49.73 -49.33 34.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 74.219999999999999 112.493 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.741 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -152.15 150.89 30.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 63.530000000000001 110.971 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 24.2 mmm -128.82 118.26 22.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 72.209999999999994 110.866 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.913 HG21 HG21 ' J' ' 36' ' ' VAL . 85.7 t -117.11 115.71 49.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 74.230000000000004 111.137 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.48 -49.64 0.86 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.73 . . . . 71.129999999999995 112.487 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 134.58 151.24 6.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 71.219999999999999 112.496 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.88 HG13 HG23 ' D' ' 39' ' ' VAL . 3.9 p -115.45 142.48 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 52.340000000000003 111.15 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.653 HG12 ' CG2' ' D' ' 40' ' ' VAL . 19.1 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 61.240000000000002 111.125 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.805 0.336 . . . . 74.439999999999998 110.884 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' F' F ' 2' ' ' ALA . . . . . 0.4 ' HA ' ' HB3' ' G' ' 2' ' ' ALA . . . -112.42 77.19 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 73.510000000000005 111.11 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -52.82 -50.2 64.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 52.520000000000003 110.853 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 4' ' ' PHE . . . . . 0.544 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 14.9 m-85 -140.82 113.97 8.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.439999999999998 110.905 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -137.98 109.08 6.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 75.420000000000002 110.82 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -111.23 130.36 55.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 72.409999999999997 110.849 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -135.05 102.19 5.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 71.340000000000003 110.878 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 10.7 t -154.76 127.37 8.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 61.130000000000003 110.813 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.65 -29.17 31.97 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 52.219999999999999 112.5 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -149.51 112.28 4.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 74.239999999999995 110.909 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -109.16 124.07 50.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 73.040000000000006 110.866 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 23.2 t -134.29 113.55 17.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 73.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -120.69 132.4 55.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 73.549999999999997 110.846 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -135.79 121.9 20.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 71.420000000000002 110.854 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -129.66 133.02 46.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 63.020000000000003 110.903 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -129.31 116.96 19.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 74.209999999999994 110.874 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.465 HD12 ' HE1' ' F' ' 19' ' ' PHE . 3.8 mm? -114.73 111.34 21.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 71.409999999999997 110.896 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.715 HG12 ' CG2' ' G' ' 18' ' ' VAL . 27.9 m -115.73 122.4 69.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 74.510000000000005 111.096 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.465 ' HE1' HD12 ' F' ' 17' ' ' LEU . 8.8 m-85 -105.27 107.96 19.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 74.25 110.882 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 59.33 88.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 74.030000000000001 110.878 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.63 129.98 55.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 55.420000000000002 111.087 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.78 103.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 72.329999999999998 110.853 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.665 ' CG1' HG23 ' G' ' 24' ' ' VAL . 14.3 p -146.13 134.94 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 65.450000000000003 111.153 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.8 -48.64 84.24 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.766 -0.731 . . . . 71.420000000000002 112.487 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 17.1 m -160.64 139.59 10.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.382 . . . . 55.140000000000001 110.854 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 27' ' ' ASN . . . . . 0.42 ' HB3' HD13 ' F' ' 31' ' ' ILE . 49.3 m-20 -109.4 102.81 11.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 74.439999999999998 110.854 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -114.34 173.64 6.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 54.210000000000001 110.87 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 29' ' ' GLY . . . . . 0.408 ' HA2' ' HA ' ' A' ' 3' ' ' GLU . . . 50.11 -139.89 18.69 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 64.129999999999995 112.528 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.614 ' HB2' ' CZ ' ' A' ' 4' ' ' PHE . . . -87.26 114.52 23.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.776 0.322 . . . . 72.129999999999995 111.067 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.66 HG22 ' CZ ' ' G' ' 20' ' ' PHE . 2.0 mp -120.96 109.08 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 75.120000000000005 111.1 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -133.61 117.05 25.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 61.539999999999999 111.125 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.03 -50.14 16.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 64.219999999999999 112.462 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.833 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -156.84 152.39 26.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 64.049999999999997 110.914 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' F' F ' 35' ' ' MET . . . . . 0.459 ' HE1' HG12 ' G' ' 39' ' ' VAL . 8.8 mmm -124.86 122.89 38.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 44.399999999999999 110.882 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.743 HG21 HG21 ' A' ' 36' ' ' VAL . 90.4 t -109.15 114.61 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 73.209999999999994 111.128 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.95 -50.8 0.8 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.769 -0.729 . . . . 64.319999999999993 112.465 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.13 152.92 6.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.763 . . . . 71.439999999999998 112.491 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.953 HG23 HG13 ' G' ' 39' ' ' VAL . 3.8 p -114.5 142.93 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 74.129999999999995 111.156 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.644 ' CG2' HG12 ' G' ' 40' ' ' VAL . 18.9 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 65.420000000000002 111.094 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.802 0.335 . . . . 51.219999999999999 110.83 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' G' G ' 2' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' F' ' 2' ' ' ALA . . . -112.06 76.74 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 71.400000000000006 111.067 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.88 -49.77 65.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 75.140000000000001 110.887 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 4' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' B' ' 30' ' ' ALA . 15.6 m-85 -141.95 114.37 8.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 74.420000000000002 110.89 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -136.41 110.66 8.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 72.239999999999995 110.86 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -112.84 131.19 55.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 74.549999999999997 110.858 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -135.75 102.37 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 72.049999999999997 110.873 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 10.7 t -156.3 126.63 6.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 71.239999999999995 110.881 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.46 -28.24 35.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 65.099999999999994 112.473 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -149.45 111.42 4.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.808 0.337 . . . . 61.039999999999999 110.916 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -106.95 124.93 50.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 72.230000000000004 110.898 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 23.7 t -134.23 113.76 17.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 24.219999999999999 111.119 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -120.44 131.35 54.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 74.409999999999997 110.86 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -134.55 122.85 22.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 74.310000000000002 110.891 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -129.51 132.62 46.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 75.519999999999996 110.9 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -127.37 115.69 19.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 71.329999999999998 110.897 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.527 HD12 ' HE1' ' G' ' 19' ' ' PHE . 3.7 mm? -117.69 110.16 17.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 73.329999999999998 110.945 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.715 ' CG2' HG12 ' F' ' 18' ' ' VAL . 35.5 m -117.5 121.75 68.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 71.530000000000001 111.144 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.527 ' HE1' HD12 ' G' ' 17' ' ' LEU . 3.8 m-30 -103.46 109.89 21.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 64.140000000000001 110.9 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 0.66 ' CZ ' HG22 ' F' ' 31' ' ' ILE . 4.3 m-30 59.13 88.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 71.450000000000003 110.863 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.27 130.44 55.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 42.439999999999998 111.074 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 63.56 103.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 65.219999999999999 110.804 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.687 HG13 HG23 ' H' ' 24' ' ' VAL . 13.3 p -147.08 133.72 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 65.109999999999999 111.141 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.25 -47.35 91.5 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.742 -0.742 . . . . 44.329999999999998 112.515 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 18.2 m -160.59 139.39 10.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.899 0.38 . . . . 74.329999999999998 110.857 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 27' ' ' ASN . . . . . 0.471 ' OD1' HG21 ' G' ' 24' ' ' VAL . 54.7 m-20 -110.41 103.63 12.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 75.219999999999999 110.925 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -114.57 174.64 5.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 64.310000000000002 110.931 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 29' ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' B' ' 3' ' ' GLU . . . 50.46 -140.14 20.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.706 -0.759 . . . . 72.109999999999999 112.506 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.645 ' HB2' ' CZ ' ' B' ' 4' ' ' PHE . . . -87.06 114.54 23.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.738 0.304 . . . . 61.340000000000003 111.117 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.672 HG22 ' CZ ' ' H' ' 20' ' ' PHE . 2.0 mp -120.99 108.8 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 62.109999999999999 111.087 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -132.67 117.55 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 72.129999999999995 111.098 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 33' ' ' GLY . . . . . 0.415 ' HA3' ' HB3' ' G' ' 19' ' ' PHE . . . -47.18 -50.94 15.51 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 44.229999999999997 112.467 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.831 ' N ' HD13 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -154.82 150.98 28.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.778 0.323 . . . . 64.409999999999997 110.912 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 14.1 mmm -124.06 120.56 32.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 73.409999999999997 110.876 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.706 HG21 HG21 ' B' ' 36' ' ' VAL . 90.3 t -109.9 114.43 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 74.140000000000001 111.142 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.03 -51.09 0.79 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 43.140000000000001 112.509 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.18 152.44 6.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 34.520000000000003 112.493 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.953 HG13 HG23 ' F' ' 39' ' ' VAL . 3.1 p -115.06 142.73 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 43.119999999999997 111.122 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.651 ' CG2' HG12 ' H' ' 40' ' ' VAL . 17.4 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 63.43 111.172 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.789 0.328 . . . . 71.209999999999994 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.92 77.07 1.01 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 63.200000000000003 111.126 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -52.37 -50.05 63.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 62.509999999999998 110.927 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 4' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' C' ' 30' ' ' ALA . 16.4 m-85 -141.21 114.27 8.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 71.430000000000007 110.888 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -135.27 109.38 8.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.15 -0.477 . . . . 74.310000000000002 110.837 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -112.43 130.31 56.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 65.140000000000001 110.848 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -134.88 102.29 5.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 64.209999999999994 110.857 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 10.7 t -156.12 126.62 6.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 51.009999999999998 110.861 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.63 -28.24 37.11 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.685 -0.769 . . . . 73.420000000000002 112.557 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -149.27 111.47 4.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.371 . . . . 74.310000000000002 110.932 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -105.71 124.88 50.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 70.430000000000007 110.904 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 24.0 t -134.1 113.66 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 63.130000000000003 111.149 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -120.3 131.35 54.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 70.349999999999994 110.807 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -135.33 122.52 21.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 74.25 110.871 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -130.18 132.63 46.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 64.510000000000005 110.893 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -125.66 116.44 21.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 71.219999999999999 110.882 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.512 HD12 ' HE1' ' H' ' 19' ' ' PHE . 3.6 mm? -119.4 109.82 16.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 74.219999999999999 110.934 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.71 ' CG2' HG12 ' G' ' 18' ' ' VAL . 35.5 m -117.6 122.5 69.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 74.319999999999993 111.114 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.512 ' HE1' HD12 ' H' ' 17' ' ' LEU . 3.0 m-30 -103.32 109.64 21.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 75.549999999999997 110.895 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 20' ' ' PHE . . . . . 0.672 ' CZ ' HG22 ' G' ' 31' ' ' ILE . 4.3 m-30 59.3 88.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 72.510000000000005 110.898 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.54 130.17 55.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 74.349999999999994 111.119 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.84 102.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 64.349999999999994 110.921 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 24' ' ' VAL . . . . . 0.687 HG23 HG13 ' G' ' 24' ' ' VAL . 14.9 p -147.48 133.33 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 63.219999999999999 111.167 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.65 -47.26 92.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 54.25 112.482 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 18.3 m -160.18 139.46 10.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 62.439999999999998 110.856 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 27' ' ' ASN . . . . . 0.469 ' OD1' HG21 ' H' ' 24' ' ' VAL . 53.3 m-20 -110.39 103.24 11.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 72.409999999999997 110.902 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -114.6 175.22 5.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 73.040000000000006 110.891 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 29' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' C' ' 3' ' ' GLU . . . 50.6 -139.61 21.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 73.239999999999995 112.522 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 30' ' ' ALA . . . . . 0.642 ' HB2' ' CZ ' ' C' ' 4' ' ' PHE . . . -86.78 114.2 23.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 72.129999999999995 111.076 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.679 HG22 ' CZ ' ' I' ' 20' ' ' PHE . 1.9 mp -121.17 108.14 21.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 74.129999999999995 111.152 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -132.56 118.08 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 71.010000000000005 111.108 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 33' ' ' GLY . . . . . 0.411 ' HA3' ' HB3' ' H' ' 19' ' ' PHE . . . -47.49 -51.13 16.98 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 65.519999999999996 112.483 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.825 ' N ' HD13 ' H' ' 34' ' ' LEU . 0.0 OUTLIER -153.67 150.97 29.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 71.430000000000007 110.893 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 15.7 mmm -125.15 119.15 27.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 70.200000000000003 110.892 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.747 HG21 HG21 ' C' ' 36' ' ' VAL . 87.7 t -110.09 115.6 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 74.430000000000007 111.164 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.92 -51.51 0.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 34.119999999999997 112.466 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.16 152.75 6.4 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.747 -0.74 . . . . 55.240000000000002 112.464 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.936 HG13 HG23 ' G' ' 39' ' ' VAL . 3.0 p -115.02 142.59 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 71.340000000000003 111.128 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' H' H ' 40' ' ' VAL . . . . . 0.66 ' CG2' HG12 ' I' ' 40' ' ' VAL . 17.2 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 71.230000000000004 111.155 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.821 0.344 . . . . 71.129999999999995 110.862 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.5 77.8 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 64.219999999999999 111.097 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -51.89 -49.88 62.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 60.329999999999998 110.937 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 4' ' ' PHE . . . . . 0.547 ' CZ ' ' HB2' ' D' ' 30' ' ' ALA . 16.9 m-85 -141.72 114.24 8.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 75.239999999999995 110.877 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -134.25 109.55 8.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 42.509999999999998 110.895 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -112.34 129.61 56.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 74.430000000000007 110.909 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -133.86 101.68 5.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 73.209999999999994 110.885 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -156.66 126.78 6.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 62.130000000000003 110.85 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.53 -27.96 43.39 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.753 . . . . 64.040000000000006 112.469 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -149.1 112.55 5.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 61.140000000000001 110.916 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -105.51 125.48 51.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 52.420000000000002 110.875 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 24.5 t -133.61 113.98 19.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 75.0 111.15 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -119.72 132.18 55.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 74.25 110.837 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -135.68 122.5 21.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 60.43 110.891 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -130.55 132.2 45.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 73.299999999999997 110.906 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 16' ' ' LYS . . . . . 0.409 ' O ' HD22 ' I' ' 17' ' ' LEU . 6.8 tttp -125.0 115.61 20.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 70.329999999999998 110.883 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.437 ' CB ' HD13 ' J' ' 17' ' ' LEU . 3.8 mm? -121.29 110.14 15.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 70.129999999999995 110.911 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 18' ' ' VAL . . . . . 0.699 ' CG2' HG12 ' H' ' 18' ' ' VAL . 28.7 m -118.37 123.1 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 71.129999999999995 111.123 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 19' ' ' PHE . . . . . 0.427 ' N ' ' CD1' ' I' ' 19' ' ' PHE . 2.3 m-30 -102.75 109.06 20.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 75.450000000000003 110.848 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 20' ' ' PHE . . . . . 0.679 ' CZ ' HG22 ' H' ' 31' ' ' ILE . 4.3 m-30 59.08 88.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 61.450000000000003 110.877 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.34 130.11 55.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 74.319999999999993 111.111 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.61 102.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 71.319999999999993 110.883 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.678 HG23 HG13 ' H' ' 24' ' ' VAL . 14.8 p -147.76 133.02 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 74.019999999999996 111.127 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.82 -46.68 94.04 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 74.010000000000005 112.457 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 17.4 m -160.51 139.79 10.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 63.32 110.865 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 27' ' ' ASN . . . . . 0.469 ' OD1' HG21 ' I' ' 24' ' ' VAL . 52.4 m-20 -110.55 102.46 11.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 75.120000000000005 110.924 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -114.54 175.94 5.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 73.120000000000005 110.883 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 29' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' D' ' 3' ' ' GLU . . . 50.89 -138.32 26.0 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.77 -0.728 . . . . 64.120000000000005 112.515 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.631 ' HB2' ' CZ ' ' D' ' 4' ' ' PHE . . . -87.38 114.57 24.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.759 0.314 . . . . 64.209999999999994 111.099 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.692 HG22 ' CZ ' ' J' ' 20' ' ' PHE . 1.9 mp -121.89 108.14 21.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 74.209999999999994 111.134 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -132.76 119.95 39.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 71.129999999999995 111.129 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 33' ' ' GLY . . . . . 0.468 ' C ' HD13 ' I' ' 34' ' ' LEU . . . -49.25 -53.2 20.49 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 60.32 112.467 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.82 ' N ' HD13 ' I' ' 34' ' ' LEU . 0.0 OUTLIER -151.13 148.87 28.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.77 0.319 . . . . 70.439999999999998 110.936 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 16.3 mmm -124.0 118.33 26.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 55.140000000000001 110.877 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.855 HG21 HG21 ' D' ' 36' ' ' VAL . 84.4 t -111.02 115.96 51.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 74.040000000000006 111.123 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.42 -52.11 0.72 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 61.149999999999999 112.463 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.25 152.6 6.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 71.540000000000006 112.449 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 0.925 HG13 HG23 ' H' ' 39' ' ' VAL . 3.2 p -114.83 143.35 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 75.340000000000003 111.115 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' I' I ' 40' ' ' VAL . . . . . 0.66 HG12 ' CG2' ' H' ' 40' ' ' VAL . 18.1 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 63.039999999999999 111.145 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.82 0.343 . . . . 73.340000000000003 110.849 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.37 77.14 1.02 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 71.209999999999994 111.123 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -51.41 -49.57 61.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 71.129999999999995 110.879 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 4' ' ' PHE . . . . . 0.524 ' CZ ' ' HB2' ' E' ' 30' ' ' ALA . 16.8 m-85 -142.25 115.08 8.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 71.239999999999995 110.913 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -133.37 108.6 8.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 74.129999999999995 110.843 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -112.2 128.07 56.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 62.140000000000001 110.884 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -131.22 100.96 5.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 73.140000000000001 110.864 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 10.9 t -157.09 127.87 6.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 74.25 110.84 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.99 -26.45 58.23 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.692 -0.766 . . . . 74.530000000000001 112.551 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -149.08 111.89 4.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.838 0.351 . . . . 73.129999999999995 110.947 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -104.43 126.77 51.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 71.530000000000001 110.87 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 24.7 t -133.37 114.04 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 75.349999999999994 111.127 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -119.66 131.1 55.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 74.129999999999995 110.865 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -134.98 122.96 22.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 74.340000000000003 110.837 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -132.93 132.87 42.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 70.129999999999995 110.897 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 16' ' ' LYS . . . . . 0.428 ' O ' HD22 ' J' ' 17' ' ' LEU . 6.7 tttp -125.27 115.28 20.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 70.099999999999994 110.896 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.437 HD13 ' CB ' ' I' ' 17' ' ' LEU . 3.9 mm? -121.95 107.02 11.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 70.430000000000007 110.925 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.695 ' CG2' HG12 ' I' ' 18' ' ' VAL . 27.9 m -114.9 125.84 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 53.240000000000002 111.123 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.412 ' N ' ' CD1' ' J' ' 19' ' ' PHE . 1.9 m-85 -102.51 108.95 20.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 74.540000000000006 110.91 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 20' ' ' PHE . . . . . 0.692 ' CZ ' HG22 ' I' ' 31' ' ' ILE . 4.5 m-30 59.35 89.71 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 74.439999999999998 110.884 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.63 130.56 55.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.505 . . . . 73.150000000000006 111.061 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.51 103.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 63.009999999999998 110.869 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.648 HG23 ' CG1' ' I' ' 24' ' ' VAL . 13.7 p -149.6 132.49 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 75.120000000000005 111.102 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.39 -46.56 93.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.722 . . . . 74.25 112.467 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 17.2 m -160.4 139.72 10.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 73.219999999999999 110.887 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 27' ' ' ASN . . . . . 0.491 ' OD1' HG21 ' J' ' 24' ' ' VAL . 57.4 m-20 -109.26 101.69 10.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 73.030000000000001 110.871 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -114.77 176.74 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 70.010000000000005 110.909 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 29' ' ' GLY . . . . . 0.414 ' HA2' ' HA ' ' E' ' 3' ' ' GLU . . . 51.38 -138.43 28.03 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 64.200000000000003 112.466 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 0.612 ' HB2' ' CZ ' ' E' ' 4' ' ' PHE . . . -87.16 114.43 23.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.764 0.316 . . . . 72.400000000000006 111.085 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.475 HG23 ' HE2' ' J' ' 20' ' ' PHE . 2.1 mp -120.79 108.52 23.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 73.010000000000005 111.115 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 32' ' ' ILE . . . . . 0.41 HG21 ' HG2' ' J' ' 35' ' ' MET . 2.5 mt -130.89 117.06 36.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 62.210000000000001 111.116 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 33' ' ' GLY . . . . . 0.593 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -49.7 -49.75 33.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.743 . . . . 74.140000000000001 112.467 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.753 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -152.24 150.91 30.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.336 . . . . 72.540000000000006 110.898 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' J' J ' 35' ' ' MET . . . . . 0.41 ' HG2' HG21 ' J' ' 32' ' ' ILE . 22.7 mmm -128.91 118.44 22.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 44.200000000000003 110.854 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.913 HG21 HG21 ' E' ' 36' ' ' VAL . 90.8 t -116.98 115.75 49.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 63.240000000000002 111.098 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.4 -49.39 0.87 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 51.539999999999999 112.484 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 134.57 151.23 6.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.723 . . . . 71.219999999999999 112.506 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.85 HG13 HG23 ' I' ' 39' ' ' VAL . 4.0 p -115.61 142.72 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.93 0.395 . . . . 74.420000000000002 111.108 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.643 HG12 ' CG2' ' I' ' 40' ' ' VAL . 19.1 m . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 72.219999999999999 111.139 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.825 0.345 . . . . 75.140000000000001 110.845 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.71 75.54 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 71.219999999999999 111.112 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.64 -31.31 24.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 70.420000000000002 110.905 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.742 ' CD2' ' HB2' ' F' ' 30' ' ' ALA . 1.4 t80 -164.3 115.42 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 64.420000000000002 110.911 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -127.37 109.3 11.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 74.150000000000006 110.877 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -108.98 108.44 19.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 75.340000000000003 110.898 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -115.34 102.01 9.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 71.319999999999993 110.843 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.0 p -149.96 175.43 11.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 74.439999999999998 110.898 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.73 -28.22 55.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 72.329999999999998 112.518 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.453 ' HD1' HG23 ' A' ' 12' ' ' VAL . 29.3 p90 -173.94 149.06 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.357 . . . . 75.329999999999998 110.9 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -108.1 119.36 39.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 72.409999999999997 110.912 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.453 HG23 ' HD1' ' A' ' 10' ' ' TYR . 97.9 t -134.58 113.99 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 62.350000000000001 111.115 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -128.95 122.09 29.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 72.310000000000002 110.819 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -129.1 125.78 37.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 63.240000000000002 110.859 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.437 ' HG3' HG12 ' F' ' 39' ' ' VAL . 0.0 OUTLIER -126.49 136.2 52.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 74.329999999999998 110.934 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.405 ' HD3' HG13 ' A' ' 18' ' ' VAL . 4.5 tttp -128.04 128.38 44.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 63.200000000000003 110.859 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.2 mt -126.23 108.2 11.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 62.329999999999998 110.929 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.732 HG12 ' CG2' ' B' ' 18' ' ' VAL . 28.3 m -115.23 119.22 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 71.310000000000002 111.153 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.442 ' HD2' HD12 ' B' ' 34' ' ' LEU . 5.4 m-85 -111.81 143.15 43.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 71.140000000000001 110.893 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.562 ' HE1' HG22 ' A' ' 31' ' ' ILE . 15.8 m-85 60.68 30.49 19.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 60.520000000000003 110.89 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.81 135.69 33.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 73.549999999999997 111.066 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 61.41 72.93 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 75.219999999999999 110.889 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.4 p -140.45 144.96 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 72.120000000000005 111.154 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.78 -58.96 5.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 74.099999999999994 112.464 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.4 m -159.66 141.79 13.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 72.049999999999997 110.879 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -108.26 107.33 17.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 70.319999999999993 110.877 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -114.77 163.34 15.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 64.549999999999997 110.894 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.69 -138.87 40.59 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.721 -0.752 . . . . 50.240000000000002 112.528 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.739 ' HB2' ' CD2' ' F' ' 4' ' ' PHE . . . -89.77 114.11 25.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.751 0.31 . . . . 54.219999999999999 111.098 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.562 HG22 ' HE1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -129.76 130.28 66.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 70.040000000000006 111.142 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.3 mt -134.75 122.85 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 73.420000000000002 111.125 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.98 -59.07 7.82 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 43.43 112.484 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.809 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -160.33 152.93 20.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.347 . . . . 51.130000000000003 110.867 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.411 ' CE ' HG13 ' A' ' 40' ' ' VAL . 2.7 mtp -134.09 127.92 33.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 65.120000000000005 110.888 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.725 HG11 HG11 ' F' ' 36' ' ' VAL . 38.2 t -121.6 114.7 44.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 71.200000000000003 111.106 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.28 36.23 74.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.789 -0.72 . . . . 74.129999999999995 112.473 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.4 -167.25 13.93 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 52.140000000000001 112.451 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.921 HG13 HG23 ' B' ' 39' ' ' VAL . 14.0 p -161.69 149.09 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 73.400000000000006 111.086 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.507 HG12 HG22 ' B' ' 40' ' ' VAL . 33.3 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 74.120000000000005 111.103 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.781 0.324 . . . . 70.049999999999997 110.851 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 2' ' ' ALA . . . . . 0.445 ' HA ' ' HB3' ' C' ' 2' ' ' ALA . . . -115.95 77.32 1.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 71.200000000000003 111.111 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.8 -30.53 9.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.409999999999997 110.932 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.667 ' CD2' ' HB2' ' G' ' 30' ' ' ALA . 1.4 t80 -163.16 115.67 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 72.5 110.905 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -126.07 110.86 14.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 74.049999999999997 110.844 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -107.94 109.86 21.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 71.099999999999994 110.891 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -116.3 101.11 8.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 73.010000000000005 110.876 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 16.7 p -151.6 175.09 12.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 64.230000000000004 110.859 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.42 -28.91 54.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 62.25 112.508 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.59 ' HD1' HG23 ' B' ' 12' ' ' VAL . 27.8 p90 -174.25 147.56 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 74.439999999999998 110.94 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -104.47 119.98 40.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 63.030000000000001 110.893 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.59 HG23 ' HD1' ' B' ' 10' ' ' TYR . 88.4 t -133.85 113.39 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 64.299999999999997 111.175 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -129.48 123.83 32.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 75.219999999999999 110.825 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -129.07 129.71 45.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 74.030000000000001 110.882 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.01 135.45 49.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 65.400000000000006 110.908 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -125.15 129.65 50.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 75.510000000000005 110.937 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.453 HD13 HD21 ' C' ' 17' ' ' LEU . 8.0 mt -132.4 107.34 8.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 64.120000000000005 110.9 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.732 ' CG2' HG12 ' A' ' 18' ' ' VAL . 29.3 m -116.83 119.81 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 54.240000000000002 111.149 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.415 ' HD2' HD12 ' C' ' 34' ' ' LEU . 2.0 m-85 -112.47 141.58 46.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 74.319999999999993 110.876 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.571 ' HE1' HG22 ' B' ' 31' ' ' ILE . 17.8 m-85 60.64 28.14 17.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 74.310000000000002 110.884 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.06 135.87 33.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 42.420000000000002 111.094 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 60.98 72.98 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 71.219999999999999 110.82 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 p -140.57 144.61 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 73.200000000000003 111.108 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.17 -57.77 6.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 71.340000000000003 112.505 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 36.4 m -160.39 141.23 11.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 71.099999999999994 110.855 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -108.95 107.53 17.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 72.219999999999999 110.89 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -114.37 163.49 15.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 42.119999999999997 110.868 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.24 -139.84 43.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 43.030000000000001 112.488 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.622 ' HB2' ' CD2' ' G' ' 4' ' ' PHE . . . -90.07 114.41 26.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.745 0.307 . . . . 62.130000000000003 111.131 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.571 HG22 ' HE1' ' B' ' 20' ' ' PHE . 0.3 OUTLIER -128.62 128.41 67.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 72.140000000000001 111.146 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 12.5 mt -131.67 122.78 50.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 71.150000000000006 111.114 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.17 -58.31 9.91 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 74.319999999999993 112.451 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.831 ' O ' HD22 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -156.92 153.92 28.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 75.200000000000003 110.883 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.5 mtp -132.97 123.12 25.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 74.209999999999994 110.847 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.881 HG11 HG11 ' G' ' 36' ' ' VAL . 26.2 t -121.57 112.22 34.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 63.149999999999999 111.142 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 54.08 37.51 58.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 61.210000000000001 112.482 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.63 -167.52 14.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 72.209999999999994 112.513 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.922 HG13 HG23 ' C' ' 39' ' ' VAL . 12.4 p -160.55 148.42 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.338 . . . . 74.5 111.158 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.507 HG22 HG12 ' A' ' 40' ' ' VAL . 34.7 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 72.329999999999998 111.142 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.845 0.355 . . . . 70.239999999999995 110.838 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 2' ' ' ALA . . . . . 0.445 ' HB3' ' HA ' ' B' ' 2' ' ' ALA . . . -116.37 75.69 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 62.439999999999998 111.089 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.28 -30.52 18.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 64.329999999999998 110.898 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 4' ' ' PHE . . . . . 0.61 ' CD2' ' HB2' ' H' ' 30' ' ' ALA . 1.4 t80 -163.64 116.24 1.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 75.140000000000001 110.9 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -125.96 111.7 15.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 72.430000000000007 110.866 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -108.2 109.27 20.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 74.200000000000003 110.862 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -115.46 100.7 8.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 75.140000000000001 110.851 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 16.6 p -152.71 174.79 13.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 74.25 110.88 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.37 -28.15 53.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 72.150000000000006 112.532 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 10' ' ' TYR . . . . . 0.592 ' HD1' HG23 ' C' ' 12' ' ' VAL . 25.7 p90 -174.71 147.77 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.871 0.367 . . . . 75.25 110.855 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -103.35 120.84 41.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 75.310000000000002 110.879 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.592 HG23 ' HD1' ' C' ' 10' ' ' TYR . 92.4 t -133.35 113.63 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 72.439999999999998 111.102 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -130.43 124.04 31.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 61.350000000000001 110.874 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -128.61 131.81 48.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 72.319999999999993 110.834 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.98 136.76 50.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 75.540000000000006 110.887 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -124.16 128.73 49.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 72.329999999999998 110.918 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.586 HD13 HD21 ' D' ' 17' ' ' LEU . 8.2 mt -135.69 106.26 6.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 71.099999999999994 110.943 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.705 ' CG2' HG12 ' B' ' 18' ' ' VAL . 26.2 m -117.69 120.77 65.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 72.140000000000001 111.159 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.402 ' CD1' ' N ' ' C' ' 19' ' ' PHE . 1.3 m-85 -112.74 141.1 46.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.319999999999993 110.865 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.534 ' HE1' HG22 ' C' ' 31' ' ' ILE . 17.6 m-85 59.44 27.91 17.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 73.200000000000003 110.855 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.94 138.19 31.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 64.030000000000001 111.16 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 57.47 72.84 0.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 60.43 110.869 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 p -139.42 143.86 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 74.239999999999995 111.136 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.0 -57.98 6.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.731 . . . . 75.439999999999998 112.499 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 35.6 m -160.47 140.03 10.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 74.450000000000003 110.855 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -108.2 108.16 19.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 73.5 110.882 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -114.5 163.93 14.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 64.150000000000006 110.945 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.62 -140.98 42.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 52.350000000000001 112.497 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.522 ' HB2' ' CD2' ' H' ' 4' ' ' PHE . . . -90.27 114.18 26.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.757 0.313 . . . . 71.409999999999997 111.126 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.534 HG22 ' HE1' ' C' ' 20' ' ' PHE . 0.3 OUTLIER -128.13 128.73 69.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 75.530000000000001 111.144 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.9 mt -130.53 122.09 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 74.030000000000001 111.134 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.75 -58.88 8.6 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.735 -0.745 . . . . 70.230000000000004 112.468 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.85 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -155.78 151.13 26.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 74.129999999999995 110.917 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -130.02 122.53 28.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 73.200000000000003 110.858 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.95 HG11 HG11 ' H' ' 36' ' ' VAL . 33.6 t -122.66 111.42 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 74.209999999999994 111.114 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.91 38.37 46.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 52.310000000000002 112.479 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.59 -167.01 14.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 61.310000000000002 112.5 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.922 HG23 HG13 ' B' ' 39' ' ' VAL . 11.9 p -159.37 147.72 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.804 0.335 . . . . 74.310000000000002 111.186 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.491 HG22 HG12 ' B' ' 40' ' ' VAL . 35.1 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 71.129999999999995 111.112 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.787 0.327 . . . . 72.430000000000007 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.31 76.26 1.01 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 32.340000000000003 111.119 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.94 -29.98 22.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 72.150000000000006 110.87 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 4' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' I' ' 30' ' ' ALA . 1.4 t80 -163.01 115.68 1.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 74.140000000000001 110.876 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -126.34 111.11 14.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 75.530000000000001 110.913 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -107.74 108.85 20.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 65.230000000000004 110.867 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -113.38 100.79 8.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 74.5 110.859 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 16.6 p -153.3 173.91 14.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 73.430000000000007 110.884 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.68 -27.82 49.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 45.009999999999998 112.51 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 10' ' ' TYR . . . . . 0.588 ' HD1' HG23 ' D' ' 12' ' ' VAL . 26.4 p90 -173.69 148.32 1.48 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.839 0.352 . . . . 72.430000000000007 110.961 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -103.98 121.79 43.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 74.549999999999997 110.917 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.588 HG23 ' HD1' ' D' ' 10' ' ' TYR . 94.7 t -133.22 113.8 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 73.409999999999997 111.158 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -130.97 122.65 27.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 75.5 110.85 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -127.32 131.96 50.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 72.120000000000005 110.847 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.46 138.27 52.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 73.310000000000002 110.938 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -123.63 127.65 48.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 75.549999999999997 110.882 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.658 HD13 HD21 ' E' ' 17' ' ' LEU . 7.2 mt -139.23 106.85 5.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.040000000000006 110.901 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.675 ' CG2' HG12 ' C' ' 18' ' ' VAL . 19.5 m -117.94 121.59 67.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 75.439999999999998 111.158 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' D' ' 19' ' ' PHE . 1.1 m-85 -111.93 139.27 47.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 63.310000000000002 110.879 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.43 ' HE1' HG22 ' D' ' 31' ' ' ILE . 15.2 m-85 58.54 27.46 15.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 72.310000000000002 110.899 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.71 139.92 30.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.497 . . . . 64.109999999999999 111.104 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 55.7 73.64 0.42 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 61.130000000000003 110.818 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 p -140.18 143.36 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 42.020000000000003 111.115 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.94 -57.85 6.72 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.698 -0.763 . . . . 43.549999999999997 112.486 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 36.2 m -160.28 139.63 10.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.357 . . . . 73.400000000000006 110.877 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -107.75 107.7 18.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 74.049999999999997 110.868 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -114.85 164.48 14.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 74.239999999999995 110.886 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.93 -141.69 42.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 44.409999999999997 112.461 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.471 ' HB2' ' CD2' ' I' ' 4' ' ' PHE . . . -91.25 114.18 26.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.728 0.299 . . . . 61.509999999999998 111.114 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.453 HG23 ' HB ' ' C' ' 31' ' ' ILE . 0.4 OUTLIER -129.05 129.31 67.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 65.239999999999995 111.139 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 mt -129.36 122.65 56.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 62.119999999999997 111.121 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.82 -61.11 6.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.721 -0.752 . . . . 73.239999999999995 112.512 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.857 ' O ' HD22 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -153.58 148.93 27.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 73.530000000000001 110.922 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -129.39 122.25 29.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 63.219999999999999 110.92 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.97 HG11 HG11 ' I' ' 36' ' ' VAL . 32.6 t -125.1 110.81 25.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.431 . . . . 74.209999999999994 111.104 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.65 37.98 51.75 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.704 -0.76 . . . . 73.530000000000001 112.454 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.47 -165.95 14.25 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 65.430000000000007 112.463 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.914 HG23 HG13 ' C' ' 39' ' ' VAL . 11.5 p -158.98 148.17 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 73.25 111.161 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.454 HG22 HG12 ' C' ' 40' ' ' VAL . 35.1 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 63.109999999999999 111.139 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.808 0.337 . . . . 73.019999999999996 110.889 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.15 76.36 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 53.25 111.087 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.72 -30.27 21.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 72.140000000000001 110.9 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 4' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' J' ' 30' ' ' ALA . 1.4 t80 -162.99 116.65 1.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 74.519999999999996 110.89 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -125.97 110.73 13.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 71.530000000000001 110.894 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -107.09 108.98 20.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 52.399999999999999 110.889 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -111.06 100.62 9.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 63.219999999999999 110.872 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 16.7 p -155.88 169.1 25.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 62.229999999999997 110.811 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.51 -27.98 56.25 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.696 -0.764 . . . . 74.549999999999997 112.513 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 10' ' ' TYR . . . . . 0.576 ' HD1' HG23 ' E' ' 12' ' ' VAL . 29.3 p90 -172.37 146.79 1.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.864 0.364 . . . . 73.129999999999995 110.908 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -104.31 122.38 45.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 35.399999999999999 110.883 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 12' ' ' VAL . . . . . 0.576 HG23 ' HD1' ' E' ' 10' ' ' TYR . 94.2 t -130.87 113.94 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 75.329999999999998 111.13 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -130.18 121.58 26.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 74.310000000000002 110.825 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -127.67 130.76 49.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 73.25 110.897 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.79 140.47 52.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 73.239999999999995 110.949 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -123.62 124.4 42.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 73.420000000000002 110.86 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.658 HD21 HD13 ' D' ' 17' ' ' LEU . 6.9 mt -141.19 105.22 4.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 65.409999999999997 110.905 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.635 ' CG2' HG12 ' D' ' 18' ' ' VAL . 15.6 m -113.92 125.31 71.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 62.409999999999997 111.139 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' E' ' 19' ' ' PHE . 1.0 OUTLIER -112.0 140.38 46.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 74.209999999999994 110.894 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 53.12 27.62 6.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 74.299999999999997 110.853 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.87 140.82 29.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 71.150000000000006 111.069 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 55.23 75.42 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 71.430000000000007 110.875 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 p -141.28 142.7 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 42.119999999999997 111.114 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.18 -57.54 6.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 70.239999999999995 112.481 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 35.8 m -159.45 138.97 11.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 62.140000000000001 110.839 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -107.02 105.12 14.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 73.540000000000006 110.897 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -115.01 163.3 15.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 53.549999999999997 110.875 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.63 -142.11 45.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.691 -0.766 . . . . 72.420000000000002 112.51 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.43 ' HB2' ' CD2' ' J' ' 4' ' ' PHE . . . -91.57 114.39 26.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.775 0.321 . . . . 65.5 111.084 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -128.07 130.39 69.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 74.209999999999994 111.115 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 12.5 mt -128.6 120.45 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.099999999999994 111.147 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 33' ' ' GLY . . . . . 0.511 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -51.75 -58.41 10.37 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 53.310000000000002 112.464 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.798 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -153.64 151.58 29.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.8 0.333 . . . . 72.109999999999999 110.897 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.2 mtp -132.22 120.47 22.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 73.430000000000007 110.932 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.793 HG11 HG11 ' J' ' 36' ' ' VAL . 28.5 t -128.64 109.94 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 74.530000000000001 111.111 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.15 38.14 39.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 64.219999999999999 112.503 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.97 -165.04 13.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 54.420000000000002 112.465 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.826 HG23 HG13 ' D' ' 39' ' ' VAL . 10.8 p -158.33 147.86 8.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 73.120000000000005 111.128 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.424 HG22 ' HA ' ' D' ' 40' ' ' VAL . 35.3 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 71.120000000000005 111.155 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.843 0.354 . . . . 75.140000000000001 110.835 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.42 75.6 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 44.340000000000003 111.108 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.87 -30.89 25.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.400000000000006 110.898 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 4' ' ' PHE . . . . . 0.739 ' CD2' ' HB2' ' A' ' 30' ' ' ALA . 1.4 t80 -163.88 115.39 1.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 73.099999999999994 110.924 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 -126.77 109.91 12.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 74.219999999999999 110.861 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -108.6 108.23 19.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 74.040000000000006 110.842 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -114.8 102.03 9.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 73.129999999999995 110.877 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 17.2 p -150.21 175.24 11.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 73.439999999999998 110.888 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.96 -28.16 54.92 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.74 -0.743 . . . . 74.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 10' ' ' TYR . . . . . 0.453 ' HD1' HG23 ' F' ' 12' ' ' VAL . 29.6 p90 -174.0 148.74 1.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 64.239999999999995 110.924 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -107.67 119.2 38.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 61.340000000000003 110.833 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.453 HG23 ' HD1' ' F' ' 10' ' ' TYR . 98.1 t -134.56 113.95 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 62.450000000000003 111.145 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -128.87 121.85 29.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 63.409999999999997 110.871 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -129.03 125.92 38.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 73.209999999999994 110.847 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.15 135.82 51.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 72.310000000000002 110.84 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 16' ' ' LYS . . . . . 0.414 ' HD3' HG13 ' F' ' 18' ' ' VAL . 4.5 tttp -127.52 128.15 45.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 73.109999999999999 110.907 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.41 HD13 HD21 ' G' ' 17' ' ' LEU . 7.8 mt -125.8 108.12 11.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 53.43 110.94 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.725 HG12 ' CG2' ' G' ' 18' ' ' VAL . 29.0 m -115.18 119.43 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 55.340000000000003 111.139 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.42 ' HD2' HD12 ' G' ' 34' ' ' LEU . 5.4 m-85 -111.78 142.96 43.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 60.130000000000003 110.853 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 20' ' ' PHE . . . . . 0.567 ' HE1' HG22 ' F' ' 31' ' ' ILE . 16.0 m-85 60.86 30.05 19.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 72.049999999999997 110.919 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.66 136.29 33.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 64.310000000000002 111.098 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 61.11 73.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 72.430000000000007 110.893 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 6.8 p -140.91 145.53 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 73.430000000000007 111.127 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.87 -58.98 5.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 50.109999999999999 112.498 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 35.5 m -159.95 141.47 12.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.938 0.399 . . . . 74.25 110.852 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -107.46 107.14 17.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 61.399999999999999 110.87 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -114.58 163.38 15.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 71.439999999999998 110.906 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.71 -140.27 38.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 71.219999999999999 112.494 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.742 ' HB2' ' CD2' ' A' ' 4' ' ' PHE . . . -88.83 114.17 25.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 62.420000000000002 111.102 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.567 HG22 ' HE1' ' F' ' 20' ' ' PHE . 0.4 OUTLIER -129.58 131.57 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 74.129999999999995 111.132 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 17.5 mt -135.39 122.73 36.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.349999999999994 111.13 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.75 -59.36 7.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 55.240000000000002 112.479 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.808 HD22 ' O ' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -160.13 153.0 21.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.789 0.328 . . . . 73.310000000000002 110.959 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' F' F ' 35' ' ' MET . . . . . 0.414 ' CE ' HG13 ' F' ' 40' ' ' VAL . 2.7 mtp -133.86 127.61 32.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.209999999999994 110.856 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.725 HG11 HG11 ' A' ' 36' ' ' VAL . 32.6 t -121.76 114.82 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 75.030000000000001 111.131 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.08 36.02 72.33 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 60.409999999999997 112.518 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.21 -167.29 14.01 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.793 -0.718 . . . . 14.23 112.486 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.916 HG13 HG23 ' G' ' 39' ' ' VAL . 15.0 p -161.68 149.43 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.887 0.375 . . . . 74.340000000000003 111.106 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.518 HG12 HG22 ' G' ' 40' ' ' VAL . 35.8 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 65.049999999999997 111.126 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.811 0.338 . . . . 72.109999999999999 110.857 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' G' G ' 2' ' ' ALA . . . . . 0.429 ' HA ' ' HB3' ' H' ' 2' ' ' ALA . . . -115.58 76.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 72.239999999999995 111.054 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.61 -30.76 14.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 74.230000000000004 110.904 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 4' ' ' PHE . . . . . 0.622 ' CD2' ' HB2' ' B' ' 30' ' ' ALA . 1.4 t80 -162.95 115.69 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 75.340000000000003 110.884 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 -125.52 111.35 14.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 72.310000000000002 110.857 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -108.13 109.33 20.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 73.25 110.834 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -115.58 100.99 8.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 52.210000000000001 110.93 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 17.0 p -151.61 174.94 12.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 61.520000000000003 110.901 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.44 -29.02 54.31 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 70.129999999999995 112.47 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 10' ' ' TYR . . . . . 0.582 ' HD1' HG23 ' G' ' 12' ' ' VAL . 27.8 p90 -174.31 147.52 1.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.832 0.349 . . . . 61.350000000000001 110.964 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -103.98 119.8 39.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 63.119999999999997 110.913 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 12' ' ' VAL . . . . . 0.582 HG23 ' HD1' ' G' ' 10' ' ' TYR . 88.1 t -133.76 113.41 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 63.450000000000003 111.138 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -129.57 123.79 32.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 75.340000000000003 110.872 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -128.85 129.75 45.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 64.140000000000001 110.856 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.06 135.1 49.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 61.130000000000003 110.908 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -125.05 129.03 49.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 72.310000000000002 110.899 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.457 HD13 HD21 ' H' ' 17' ' ' LEU . 7.9 mt -132.03 107.28 8.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 73.299999999999997 110.874 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.725 ' CG2' HG12 ' F' ' 18' ' ' VAL . 29.7 m -116.81 119.83 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 74.099999999999994 111.17 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -112.35 141.59 45.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 74.439999999999998 110.851 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 0.565 ' HE1' HG22 ' G' ' 31' ' ' ILE . 17.9 m-85 60.53 28.42 18.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 74.200000000000003 110.901 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.18 135.86 33.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 70.450000000000003 111.164 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 60.91 73.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 73.040000000000006 110.882 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 p -140.61 144.63 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 34.409999999999997 111.121 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.41 -58.45 5.98 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 44.32 112.516 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 35.2 m -159.31 140.38 12.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.389 . . . . 72.010000000000005 110.84 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -108.11 107.11 17.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 71.340000000000003 110.922 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -114.08 164.13 14.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 63.140000000000001 110.914 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.72 -141.37 39.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.692 -0.766 . . . . 73.530000000000001 112.499 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.667 ' HB2' ' CD2' ' B' ' 4' ' ' PHE . . . -89.16 114.09 25.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.726 0.298 . . . . 71.049999999999997 111.112 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.565 HG22 ' HE1' ' G' ' 20' ' ' PHE . 0.3 OUTLIER -127.81 129.43 69.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 74.099999999999994 111.138 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 12.9 mt -132.41 122.44 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 70.239999999999995 111.115 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.85 -58.71 8.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 54.310000000000002 112.452 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.843 ' O ' HD22 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -156.53 153.96 29.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.79 0.328 . . . . 73.510000000000005 110.88 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 2.5 mtp -132.94 123.01 25.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 73.200000000000003 110.927 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.881 HG11 HG11 ' B' ' 36' ' ' VAL . 26.1 t -121.61 112.19 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 70.340000000000003 111.119 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 54.01 37.23 57.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 62.350000000000001 112.53 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.99 -167.28 14.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 64.120000000000005 112.481 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.916 HG23 HG13 ' F' ' 39' ' ' VAL . 12.9 p -160.69 148.58 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.884 0.373 . . . . 54.420000000000002 111.155 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.518 HG22 HG12 ' F' ' 40' ' ' VAL . 34.9 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 62.450000000000003 111.166 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.88 0.371 . . . . 54.340000000000003 110.855 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' H' H ' 2' ' ' ALA . . . . . 0.429 ' HB3' ' HA ' ' G' ' 2' ' ' ALA . . . -115.5 75.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 71.230000000000004 111.084 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.33 -30.85 19.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 74.140000000000001 110.899 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 4' ' ' PHE . . . . . 0.522 ' CD2' ' HB2' ' C' ' 30' ' ' ALA . 1.4 t80 -162.92 115.85 1.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 72.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -125.64 111.4 14.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 72.129999999999995 110.83 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -107.91 108.78 20.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 75.319999999999993 110.853 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -114.69 100.51 8.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 75.409999999999997 110.901 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 16.9 p -152.63 174.55 13.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 62.140000000000001 110.827 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.44 -28.17 53.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.794 -0.717 . . . . 70.219999999999999 112.468 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 10' ' ' TYR . . . . . 0.578 ' HD1' HG23 ' H' ' 12' ' ' VAL . 25.7 p90 -174.69 147.74 1.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.86 0.362 . . . . 70.239999999999995 110.929 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -103.18 120.77 41.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 72.319999999999993 110.907 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.578 HG23 ' HD1' ' H' ' 10' ' ' TYR . 92.4 t -133.24 113.57 19.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 53.43 111.118 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -130.32 123.82 30.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 71.430000000000007 110.883 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -128.31 131.52 48.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 74.530000000000001 110.838 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.74 136.49 50.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 75.209999999999994 110.897 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -124.17 128.52 49.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 73.450000000000003 110.932 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.58 HD13 HD21 ' I' ' 17' ' ' LEU . 8.1 mt -135.73 106.32 6.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 74.010000000000005 110.923 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.701 ' CG2' HG12 ' G' ' 18' ' ' VAL . 25.9 m -117.74 120.98 66.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 75.140000000000001 111.083 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.425 ' N ' ' CD1' ' H' ' 19' ' ' PHE . 1.2 m-85 -112.8 141.11 46.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 60.200000000000003 110.88 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 20' ' ' PHE . . . . . 0.509 ' HE1' HG22 ' H' ' 31' ' ' ILE . 17.5 m-85 59.37 27.81 17.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 72.430000000000007 110.846 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.87 137.99 31.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 71.140000000000001 111.14 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 57.64 73.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 74.209999999999994 110.897 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 p -140.21 144.4 27.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 64.319999999999993 111.195 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.61 -58.13 6.09 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 65.420000000000002 112.514 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 35.3 m -159.82 139.82 11.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.9 0.381 . . . . 63.229999999999997 110.87 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -107.95 107.42 18.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 64.420000000000002 110.907 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -114.02 164.51 13.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 51.340000000000003 110.877 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.08 -142.14 39.3 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.748 -0.739 . . . . 44.32 112.446 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 30' ' ' ALA . . . . . 0.61 ' HB2' ' CD2' ' C' ' 4' ' ' PHE . . . -89.93 114.22 25.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 74.019999999999996 111.057 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.509 HG22 ' HE1' ' H' ' 20' ' ' PHE . 0.3 OUTLIER -127.92 129.43 69.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 72.430000000000007 111.14 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 12.2 mt -130.79 122.16 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 64.230000000000004 111.137 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.63 -59.07 8.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 54.0 112.499 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.855 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -155.38 150.98 27.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.744 0.307 . . . . 72.530000000000001 110.936 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -129.8 122.37 28.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 73.239999999999995 110.861 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.95 HG11 HG11 ' C' ' 36' ' ' VAL . 28.3 t -122.85 111.38 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 70.340000000000003 111.137 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.02 37.83 46.0 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.751 . . . . 73.120000000000005 112.505 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.33 -167.09 14.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 64.450000000000003 112.499 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.904 HG13 HG23 ' I' ' 39' ' ' VAL . 12.4 p -159.52 147.72 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.89 0.376 . . . . 71.299999999999997 111.157 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' H' H ' 40' ' ' VAL . . . . . 0.476 HG22 HG12 ' G' ' 40' ' ' VAL . 35.2 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 72.25 111.154 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.807 0.337 . . . . 73.329999999999998 110.871 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.11 75.57 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 62.130000000000003 111.123 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.79 -30.29 22.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 64.409999999999997 110.867 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 4' ' ' PHE . . . . . 0.471 ' CD2' ' HB2' ' D' ' 30' ' ' ALA . 1.4 t80 -163.12 115.8 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 74.450000000000003 110.866 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -126.73 111.35 14.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 73.129999999999995 110.918 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -108.0 108.56 19.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 74.010000000000005 110.849 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -112.51 100.93 9.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 60.039999999999999 110.886 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 16.7 p -153.52 173.69 15.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 64.340000000000003 110.852 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.88 -27.7 49.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.753 . . . . 65.219999999999999 112.493 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 10' ' ' TYR . . . . . 0.561 ' HD1' HG23 ' I' ' 12' ' ' VAL . 26.7 p90 -173.75 148.17 1.45 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.866 0.365 . . . . 75.209999999999994 110.932 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -103.94 121.93 44.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 74.319999999999993 110.885 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 12' ' ' VAL . . . . . 0.561 HG23 ' HD1' ' I' ' 10' ' ' TYR . 94.8 t -133.29 113.69 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 45.219999999999999 111.074 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -130.73 122.51 27.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 72.140000000000001 110.895 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -126.93 131.92 50.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 64.129999999999995 110.902 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.35 138.06 52.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 55.340000000000003 110.892 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -123.73 127.47 48.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 65.010000000000005 110.85 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.661 HD13 HD21 ' J' ' 17' ' ' LEU . 7.3 mt -139.28 106.91 5.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 75.200000000000003 110.881 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 18' ' ' VAL . . . . . 0.686 ' CG2' HG12 ' H' ' 18' ' ' VAL . 20.0 m -118.05 121.65 67.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 70.530000000000001 111.151 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 19' ' ' PHE . . . . . 0.433 ' N ' ' CD1' ' I' ' 19' ' ' PHE . 1.1 m-85 -111.95 139.24 47.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 64.510000000000005 110.885 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 20' ' ' PHE . . . . . 0.414 ' HE1' HG22 ' I' ' 31' ' ' ILE . 15.4 m-85 58.54 27.95 16.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 75.510000000000005 110.931 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.93 139.94 30.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 73.25 111.103 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 55.38 73.82 0.4 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 74.230000000000004 110.819 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 p -139.75 143.09 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 72.230000000000004 111.144 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.7 -58.47 6.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.775 -0.726 . . . . 44.310000000000002 112.504 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 36.4 m -159.5 138.6 11.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 72.340000000000003 110.833 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -107.1 106.78 17.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 63.020000000000003 110.872 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -114.32 165.25 12.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 75.540000000000006 110.852 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.57 -142.86 39.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.739 . . . . 64.329999999999998 112.473 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.574 ' HB2' ' CD2' ' D' ' 4' ' ' PHE . . . -90.91 113.94 26.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.794 0.331 . . . . 70.019999999999996 111.102 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.444 HG23 ' HB ' ' H' ' 31' ' ' ILE . 0.4 OUTLIER -128.36 130.53 69.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 64.030000000000001 111.109 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 12.2 mt -129.94 122.48 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 72.549999999999997 111.112 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.83 -61.29 6.2 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 64.239999999999995 112.507 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.854 ' O ' HD22 ' I' ' 34' ' ' LEU . 0.0 OUTLIER -153.37 148.55 26.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.34 . . . . 71.340000000000003 110.913 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -129.13 122.3 29.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 75.219999999999999 110.885 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.97 HG11 HG11 ' D' ' 36' ' ' VAL . 31.4 t -125.28 110.67 25.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 45.450000000000003 111.111 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.71 37.88 52.11 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.742 -0.742 . . . . 64.200000000000003 112.49 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.39 -166.08 14.34 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.752 -0.737 . . . . 65.219999999999999 112.455 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 0.904 HG23 HG13 ' H' ' 39' ' ' VAL . 11.9 p -159.2 148.22 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.351 . . . . 64.549999999999997 111.14 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' I' I ' 40' ' ' VAL . . . . . 0.423 ' HA ' HG22 ' J' ' 40' ' ' VAL . 35.2 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 73.040000000000006 111.122 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.796 0.331 . . . . 62.25 110.901 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.52 76.11 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 62.229999999999997 111.054 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.6 -30.52 21.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 54.119999999999997 110.863 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 4' ' ' PHE . . . . . 0.43 ' CD2' ' HB2' ' E' ' 30' ' ' ALA . 1.4 t80 -162.86 115.97 1.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 73.400000000000006 110.857 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -126.24 110.78 13.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 73.019999999999996 110.836 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -106.87 108.87 20.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 73.040000000000006 110.835 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -110.6 100.64 9.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 73.099999999999994 110.873 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 16.2 p -155.87 168.74 26.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 62.25 110.844 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.87 -28.37 56.87 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.778 -0.725 . . . . 72.420000000000002 112.475 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 10' ' ' TYR . . . . . 0.576 ' HD1' HG23 ' J' ' 12' ' ' VAL . 28.4 p90 -172.47 146.81 1.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.869 0.366 . . . . 71.450000000000003 110.927 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -103.72 122.38 44.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 72.299999999999997 110.874 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.576 HG23 ' HD1' ' J' ' 10' ' ' TYR . 93.1 t -131.14 113.75 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 72.400000000000006 111.149 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -130.27 121.17 25.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 72.439999999999998 110.894 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -127.14 130.55 50.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 74.329999999999998 110.833 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.62 140.37 52.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 74.409999999999997 110.91 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -123.68 124.51 42.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 71.200000000000003 110.88 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.661 HD21 HD13 ' I' ' 17' ' ' LEU . 6.9 mt -141.15 105.17 4.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.420000000000002 110.922 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.639 ' CG2' HG12 ' I' ' 18' ' ' VAL . 15.8 m -113.77 125.39 71.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 74.019999999999996 111.114 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.441 ' CD1' ' N ' ' J' ' 19' ' ' PHE . 1.0 OUTLIER -112.1 140.71 46.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 74.349999999999994 110.933 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 52.88 27.7 5.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 74.400000000000006 110.842 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.89 140.65 29.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 73.340000000000003 111.109 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 55.38 76.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 75.010000000000005 110.848 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 p -141.72 142.2 28.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 51.439999999999998 111.126 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.88 -57.38 7.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.721 -0.752 . . . . 63.210000000000001 112.481 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 36.4 m -159.34 137.59 10.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.866 0.365 . . . . 64.400000000000006 110.839 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -106.7 104.48 14.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 72.219999999999999 110.873 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -114.81 164.18 14.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 73.299999999999997 110.887 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.8 -143.84 44.8 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.72 -0.752 . . . . 54.32 112.497 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 0.553 ' HB2' ' CD2' ' E' ' 4' ' ' PHE . . . -91.33 113.83 26.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 62.439999999999998 111.108 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -127.87 131.73 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 72.420000000000002 111.139 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 13.3 mt -128.39 120.84 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 61.240000000000002 111.125 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 33' ' ' GLY . . . . . 0.513 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -51.72 -59.03 9.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 73.540000000000006 112.467 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.797 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -153.42 151.16 29.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 61.310000000000002 110.955 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' J' J ' 35' ' ' MET . . . . . 0.403 ' H ' HD22 ' I' ' 34' ' ' LEU . 3.2 mtp -132.01 120.53 22.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 52.5 110.867 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.793 HG11 HG11 ' E' ' 36' ' ' VAL . 25.5 t -128.66 109.95 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 74.510000000000005 111.158 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.4 37.79 40.65 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.766 -0.73 . . . . 54.310000000000002 112.512 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.97 -165.17 13.41 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 50.149999999999999 112.443 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.856 HG23 HG13 ' I' ' 39' ' ' VAL . 10.7 p -158.13 147.82 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.926 0.393 . . . . 74.019999999999996 111.138 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.423 HG22 ' HA ' ' I' ' 40' ' ' VAL . 34.9 m . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 62.109999999999999 111.151 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.846 0.355 . . . . 62.450000000000003 110.88 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.66 91.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 72.439999999999998 111.078 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -76.33 -25.81 55.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 62.310000000000002 110.905 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.526 ' CE1' ' HB2' ' F' ' 30' ' ' ALA . 0.4 OUTLIER -162.86 115.1 1.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 72.049999999999997 110.858 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -110.2 107.83 17.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 70.420000000000002 110.896 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -106.61 109.01 20.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 45.329999999999998 110.874 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -122.2 101.14 7.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 70.439999999999998 110.872 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.0 t -148.73 175.27 11.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 51.409999999999997 110.864 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.7 -12.13 33.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 73.140000000000001 112.497 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -171.64 119.06 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.892 0.377 . . . . 74.519999999999996 110.948 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -101.4 119.92 39.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 72.319999999999993 110.876 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.9 t -124.08 114.34 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 64.310000000000002 111.112 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -118.44 113.36 21.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 55.310000000000002 110.846 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -130.24 115.75 17.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 71.049999999999997 110.907 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.45 133.35 52.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 73.239999999999995 110.942 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -128.5 115.91 18.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 74.209999999999994 110.895 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.463 HD12 ' HE1' ' A' ' 19' ' ' PHE . 3.9 mm? -115.55 111.49 20.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 54.119999999999997 110.896 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.719 HG12 ' CG2' ' B' ' 18' ' ' VAL . 27.4 m -115.75 120.08 63.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 70.040000000000006 111.145 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.463 ' HE1' HD12 ' A' ' 17' ' ' LEU . 7.7 m-85 -103.48 111.56 24.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 74.129999999999995 110.854 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 57.17 77.59 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 70.040000000000006 110.877 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.01 125.08 50.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 73.099999999999994 111.084 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.4 83.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 64.25 110.905 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.689 ' CG1' HG23 ' B' ' 24' ' ' VAL . 4.3 p -123.83 141.44 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 75.0 111.151 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.02 -56.39 25.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 15.32 112.515 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.4 m -159.93 130.61 5.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 72.450000000000003 110.859 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.432 ' OD1' HG11 ' A' ' 24' ' ' VAL . 2.1 m120 -101.61 109.95 21.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 71.349999999999994 110.875 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.45 163.25 14.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 61.399999999999999 110.922 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' GLY . . . . . 0.419 ' H ' ' HB3' ' F' ' 3' ' ' GLU . . . 61.75 -140.67 47.22 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 32.130000000000003 112.45 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.12 113.26 20.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.751 0.31 . . . . 74.109999999999999 111.06 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.416 HG23 ' ND2' ' A' ' 27' ' ' ASN . 1.8 mm -98.85 107.76 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 73.450000000000003 111.133 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.2 mt -136.78 108.8 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 72.010000000000005 111.136 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.413 ' HA3' ' HB3' ' A' ' 19' ' ' PHE . . . -46.42 -51.01 12.66 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 51.130000000000003 112.516 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.811 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -158.8 155.62 28.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.783 0.325 . . . . 64.230000000000004 110.91 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -129.76 122.85 29.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 73.530000000000001 110.893 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.6 t -130.36 114.56 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 73.140000000000001 111.159 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.93 19.65 56.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 73.319999999999993 112.441 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.39 172.46 15.03 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.736 -0.745 . . . . 43.539999999999999 112.499 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.788 HG13 HG23 ' B' ' 39' ' ' VAL . 7.8 p -142.96 144.83 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.38 . . . . 51.530000000000001 111.115 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.413 ' HA ' HG22 ' B' ' 40' ' ' VAL . 35.1 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 65.129999999999995 111.171 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.849 0.357 . . . . 72.239999999999995 110.882 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.43 92.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 65.219999999999999 111.121 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -76.86 -21.78 54.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 75.200000000000003 110.886 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.53 ' CE1' ' HB2' ' G' ' 30' ' ' ALA . 0.4 OUTLIER -162.96 114.79 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 72.450000000000003 110.893 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -111.39 107.2 16.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 73.230000000000004 110.918 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -106.55 109.29 21.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 74.219999999999999 110.837 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -120.38 100.51 7.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 74.310000000000002 110.849 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 9.1 t -147.53 175.01 11.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 74.239999999999995 110.811 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.92 -11.94 33.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 52.119999999999997 112.524 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.13 119.11 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 63.109999999999999 110.907 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -101.3 120.18 39.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 65.109999999999999 110.914 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -124.19 115.08 43.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 73.109999999999999 111.175 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -118.74 113.53 21.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 74.430000000000007 110.818 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -128.97 116.96 20.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 65.420000000000002 110.859 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.45 133.12 51.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 72.439999999999998 110.876 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -127.86 116.79 20.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 61.32 110.937 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.528 HD12 ' HE1' ' B' ' 19' ' ' PHE . 3.5 mm? -119.07 110.92 17.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 70.349999999999994 110.935 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.733 HG12 ' CG2' ' C' ' 18' ' ' VAL . 26.9 m -117.01 120.8 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 73.329999999999998 111.086 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.528 ' HE1' HD12 ' B' ' 17' ' ' LEU . 4.0 m-30 -102.31 114.52 28.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 75.129999999999995 110.835 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 56.95 76.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 74.099999999999994 110.884 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.82 124.89 49.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 52.299999999999997 111.128 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.42 83.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 62.520000000000003 110.855 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.69 ' CG1' HG23 ' C' ' 24' ' ' VAL . 3.3 p -123.82 139.1 51.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 63.43 111.091 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.12 -55.59 29.37 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.754 . . . . 52.409999999999997 112.494 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 74.1 m -159.18 129.73 5.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.898 0.38 . . . . 73.329999999999998 110.865 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.406 ' ND2' HG23 ' B' ' 31' ' ' ILE . 2.0 m120 -101.92 108.94 20.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 74.430000000000007 110.9 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -110.98 162.97 14.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 73.099999999999994 110.913 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.09 -140.65 45.59 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.74 . . . . 64.420000000000002 112.454 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.43 113.35 20.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.737 0.303 . . . . 60.32 111.097 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.406 HG23 ' ND2' ' B' ' 27' ' ' ASN . 2.0 mm -100.35 108.02 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 73.239999999999995 111.125 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 mt -134.74 110.08 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 75.340000000000003 111.156 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.405 ' HA3' ' HB3' ' B' ' 19' ' ' PHE . . . -44.42 -52.42 7.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 70.0 112.478 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.809 ' N ' HD13 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -157.74 154.44 28.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.791 0.329 . . . . 53.100000000000001 110.942 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -125.99 121.09 32.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 70.400000000000006 110.864 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 94.4 t -132.52 114.99 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 73.430000000000007 111.125 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.77 21.08 42.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 61.520000000000003 112.479 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.81 172.82 15.54 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 33.210000000000001 112.481 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.788 HG23 HG13 ' A' ' 39' ' ' VAL . 7.1 p -142.67 143.63 25.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 73.010000000000005 111.132 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.413 HG22 ' HA ' ' A' ' 40' ' ' VAL . 34.4 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 62.409999999999997 111.098 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.856 0.36 . . . . 54.409999999999997 110.857 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.57 93.04 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.462 . . . . 54.25 111.133 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -75.29 -19.67 59.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 74.329999999999998 110.868 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 4' ' ' PHE . . . . . 0.539 ' CE1' ' HB2' ' H' ' 30' ' ' ALA . 0.4 OUTLIER -163.26 114.65 1.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 75.129999999999995 110.836 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -112.04 107.0 15.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 74.340000000000003 110.834 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -106.23 110.01 22.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 65.510000000000005 110.847 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -120.21 100.44 7.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 75.019999999999996 110.866 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 9.2 t -147.54 174.84 11.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 72.5 110.88 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.14 -11.99 32.68 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 73.140000000000001 112.477 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.38 119.08 0.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.861 0.362 . . . . 72.040000000000006 110.941 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -101.08 120.09 39.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 75.129999999999995 110.89 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 93.8 t -124.94 114.84 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 61.43 111.132 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -119.34 113.48 20.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 63.030000000000001 110.882 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -127.58 117.73 22.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 74.420000000000002 110.865 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.29 132.75 51.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 45.409999999999997 110.905 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -126.32 115.87 20.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 70.25 110.901 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.426 HD12 ' HE1' ' C' ' 19' ' ' PHE . 3.8 mm? -119.86 111.06 17.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.426 . . . . 63.240000000000002 110.932 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.733 ' CG2' HG12 ' B' ' 18' ' ' VAL . 29.5 m -118.24 121.3 66.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 72.019999999999996 111.098 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.426 ' HE1' HD12 ' C' ' 17' ' ' LEU . 2.9 m-30 -101.91 113.94 27.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 72.319999999999993 110.871 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 11.1 m-30 56.68 75.93 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 75.439999999999998 110.924 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.93 124.43 48.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 61.109999999999999 111.094 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.87 83.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 75.329999999999998 110.928 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.69 HG23 ' CG1' ' B' ' 24' ' ' VAL . 3.2 p -122.66 138.86 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 71.109999999999999 111.091 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.04 -55.98 27.24 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.763 -0.732 . . . . 63.509999999999998 112.448 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 73.9 m -159.08 128.95 5.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 62.509999999999998 110.869 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.546 ' ND2' HG11 ' C' ' 24' ' ' VAL . 11.0 m-20 -102.65 109.14 20.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 65.219999999999999 110.889 -179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -110.56 162.81 14.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 73.519999999999996 110.911 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.9 -140.61 44.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 63.399999999999999 112.509 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.45 113.63 20.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.759 0.314 . . . . 63.140000000000001 111.084 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.8 mm -101.2 107.98 22.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 63.130000000000003 111.159 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.1 mt -133.44 111.0 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 75.209999999999994 111.154 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.403 ' HA3' ' HB3' ' C' ' 19' ' ' PHE . . . -44.5 -52.84 7.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.763 -0.732 . . . . 71.430000000000007 112.49 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.81 HD13 ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -156.34 154.06 29.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.33 . . . . 72.549999999999997 110.924 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -126.6 119.59 27.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 73.450000000000003 110.853 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 93.8 t -133.31 115.33 22.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 64.329999999999998 111.123 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.19 21.65 40.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 61.329999999999998 112.471 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.08 172.87 16.06 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 64.219999999999999 112.471 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.747 HG23 HG13 ' B' ' 39' ' ' VAL . 7.3 p -142.49 143.39 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.936 0.398 . . . . 64.329999999999998 111.137 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.453 ' HA ' HG22 ' D' ' 40' ' ' VAL . 34.9 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 60.149999999999999 111.11 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.83 0.348 . . . . 74.420000000000002 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.48 91.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 72.030000000000001 111.052 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -77.93 -17.94 56.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 73.010000000000005 110.893 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 4' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' I' ' 30' ' ' ALA . 0.5 OUTLIER -162.86 114.69 1.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 61.240000000000002 110.889 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -112.6 107.18 15.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 73.319999999999993 110.85 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -106.41 110.12 22.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 71.510000000000005 110.847 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -119.19 100.36 7.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 73.430000000000007 110.87 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 8.9 t -147.82 174.58 11.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 72.310000000000002 110.882 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.23 -12.28 31.75 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.742 . . . . 74.319999999999993 112.479 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -172.26 119.93 0.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.874 0.368 . . . . 74.209999999999994 110.936 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -101.65 120.18 39.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 72.219999999999999 110.89 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 88.7 t -124.22 114.92 43.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 74.329999999999998 111.138 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -118.98 113.43 20.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 75.540000000000006 110.872 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -127.19 116.95 21.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 73.019999999999996 110.85 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.39 132.79 51.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 71.420000000000002 110.909 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.431 ' O ' HD22 ' D' ' 17' ' ' LEU . 2.8 tptm -125.77 115.88 20.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 75.230000000000004 110.911 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.448 ' CB ' HD13 ' E' ' 17' ' ' LEU . 3.8 mm? -121.32 110.69 16.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 73.340000000000003 110.901 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.705 ' CG2' HG12 ' C' ' 18' ' ' VAL . 26.8 m -118.32 122.58 69.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 43.219999999999999 111.131 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.422 ' N ' ' CD1' ' D' ' 19' ' ' PHE . 2.0 m-30 -101.97 113.61 26.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 64.120000000000005 110.91 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 56.04 76.07 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 75.349999999999994 110.88 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.96 124.53 48.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 75.299999999999997 111.148 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.9 83.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 65.310000000000002 110.871 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.686 ' CG1' HG23 ' E' ' 24' ' ' VAL . 3.4 p -122.56 138.14 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 73.109999999999999 111.139 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.53 -55.26 30.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 70.030000000000001 112.527 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 73.5 m -159.79 127.16 4.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 62.350000000000001 110.864 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.584 ' ND2' HG11 ' D' ' 24' ' ' VAL . 12.4 m-20 -102.61 110.31 22.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 73.319999999999993 110.882 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -111.08 162.54 14.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 74.530000000000001 110.905 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.01 -140.51 42.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 75.230000000000004 112.547 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.78 113.9 21.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.731 0.301 . . . . 71.030000000000001 111.106 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.406 HD12 ' HB3' ' D' ' 27' ' ' ASN . 1.7 mm -102.37 108.75 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 73.319999999999993 111.196 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 mt -132.68 112.99 19.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 62.130000000000003 111.129 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 33' ' ' GLY . . . . . 0.471 ' C ' HD13 ' D' ' 34' ' ' LEU . . . -44.92 -53.75 7.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 71.400000000000006 112.477 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.782 ' N ' HD13 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -154.89 152.95 30.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.827 0.346 . . . . 72.420000000000002 110.908 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 2.8 mtp -126.93 119.14 26.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 44.219999999999999 110.882 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 87.1 t -134.76 114.77 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 72.540000000000006 111.121 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.53 22.03 44.17 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.709 -0.758 . . . . 63.25 112.458 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.66 173.59 17.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 60.240000000000002 112.496 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.704 HG23 HG13 ' C' ' 39' ' ' VAL . 7.2 p -142.21 143.85 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.882 0.372 . . . . 60.450000000000003 111.132 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.453 HG22 ' HA ' ' C' ' 40' ' ' VAL . 34.9 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 71.340000000000003 111.162 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.846 0.355 . . . . 51.32 110.875 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.83 95.41 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 63.229999999999997 111.124 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -75.41 -20.2 59.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 71.420000000000002 110.852 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 4' ' ' PHE . . . . . 0.475 ' CD1' ' HB2' ' J' ' 30' ' ' ALA . 0.4 OUTLIER -161.47 116.77 2.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 70.540000000000006 110.886 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -110.02 107.73 17.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 74.420000000000002 110.88 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -106.0 111.96 24.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 72.420000000000002 110.882 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -118.99 100.81 7.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 70.150000000000006 110.866 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 9.1 t -148.99 173.54 13.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 72.030000000000001 110.862 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.25 -12.68 33.01 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 41.240000000000002 112.468 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.11 120.07 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 73.540000000000006 110.923 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -101.91 120.42 40.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 72.010000000000005 110.925 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 98.0 t -123.31 114.76 43.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 73.109999999999999 111.135 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -119.19 113.8 21.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 74.230000000000004 110.875 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -127.7 117.21 21.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 71.439999999999998 110.844 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.01 133.34 50.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 74.219999999999999 110.879 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 16' ' ' LYS . . . . . 0.444 ' O ' HD22 ' E' ' 17' ' ' LEU . 3.0 tptm -124.96 115.06 19.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 64.349999999999994 110.907 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.448 HD13 ' CB ' ' D' ' 17' ' ' LEU . 3.9 mm? -121.72 107.93 12.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 64.140000000000001 110.916 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.694 ' CG2' HG12 ' D' ' 18' ' ' VAL . 30.2 m -115.27 123.71 71.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 63.299999999999997 111.127 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' E' ' 19' ' ' PHE . 1.3 m-85 -102.12 111.06 23.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 73.329999999999998 110.878 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.436 ' CE2' HG22 ' E' ' 31' ' ' ILE . 13.0 m-30 57.99 75.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 74.329999999999998 110.86 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.5 125.12 49.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 74.239999999999995 111.066 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.94 83.42 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 75.329999999999998 110.858 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.686 HG23 ' CG1' ' D' ' 24' ' ' VAL . 3.4 p -122.48 137.34 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 52.409999999999997 111.158 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.76 -55.2 29.89 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 34.030000000000001 112.494 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 73.4 m -159.54 125.18 4.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 72.299999999999997 110.859 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.585 ' ND2' HG11 ' E' ' 24' ' ' VAL . 13.4 m-20 -102.18 112.54 25.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 64.120000000000005 110.89 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -112.53 164.08 13.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 72.109999999999999 110.928 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.86 -141.19 43.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 61.439999999999998 112.503 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.85 114.02 21.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.712 0.291 . . . . 62.100000000000001 111.142 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.441 HD12 ' HB3' ' E' ' 27' ' ' ASN . 1.8 mm -101.24 108.33 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 63.310000000000002 111.133 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 mt -129.38 112.88 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 52.229999999999997 111.136 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 33' ' ' GLY . . . . . 0.599 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -46.04 -51.29 11.29 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 61.399999999999999 112.468 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.738 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -154.91 154.42 32.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 64.400000000000006 110.899 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.404 ' H ' HD22 ' D' ' 34' ' ' LEU . 3.2 mtp -130.96 118.43 20.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 73.140000000000001 110.859 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 94.1 t -138.43 114.96 10.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 75.530000000000001 111.129 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.78 21.93 38.61 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 70.030000000000001 112.478 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.14 173.99 17.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 74.319999999999993 112.532 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.697 HG23 HG13 ' D' ' 39' ' ' VAL . 7.1 p -142.12 143.52 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 61.100000000000001 111.125 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.416 HG22 ' HA ' ' D' ' 40' ' ' VAL . 35.7 m . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 74.329999999999998 111.136 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.811 0.339 . . . . 71.140000000000001 110.863 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.59 92.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 64.340000000000003 111.128 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 3' ' ' GLU . . . . . 0.419 ' HB3' ' H ' ' A' ' 29' ' ' GLY . 25.4 mm-40 -76.26 -23.99 54.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 74.319999999999993 110.903 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.49 115.3 4.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 75.430000000000007 110.847 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -108.35 108.96 20.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 74.439999999999998 110.878 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -106.84 108.35 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 70.530000000000001 110.874 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -118.92 106.31 12.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 75.510000000000005 110.869 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 9.2 t -145.99 174.08 11.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 71.329999999999998 110.871 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.41 -13.52 32.73 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.716 -0.754 . . . . 60.439999999999998 112.493 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.46 119.92 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.853 0.359 . . . . 74.219999999999999 110.912 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -102.84 120.0 39.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 73.040000000000006 110.9 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 94.2 t -122.86 114.1 40.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 52.229999999999997 111.121 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -118.03 113.65 21.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 71.310000000000002 110.911 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -131.18 114.3 14.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 74.430000000000007 110.795 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.96 133.69 52.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 74.230000000000004 110.887 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -129.3 115.52 17.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 63.109999999999999 110.892 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.42 HD12 ' HE1' ' F' ' 19' ' ' PHE . 3.9 mm? -114.58 111.3 21.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 74.519999999999996 110.957 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.719 HG12 ' CG2' ' G' ' 18' ' ' VAL . 26.9 m -115.78 120.57 65.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 72.329999999999998 111.116 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.42 ' HE1' HD12 ' F' ' 17' ' ' LEU . 7.8 m-85 -102.8 112.56 25.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 73.230000000000004 110.86 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 56.84 75.56 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 75.540000000000006 110.823 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.64 126.08 51.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 71.099999999999994 111.1 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.53 82.13 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 74.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.674 ' CG1' HG23 ' G' ' 24' ' ' VAL . 5.0 p -122.82 140.57 46.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 73.120000000000005 111.109 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.4 -55.81 27.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.791 -0.718 . . . . 74.439999999999998 112.455 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 75.6 m -161.73 129.43 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 72.109999999999999 110.836 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 27' ' ' ASN . . . . . 0.437 ' OD1' HG11 ' F' ' 24' ' ' VAL . 1.9 m120 -100.39 107.35 19.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 74.299999999999997 110.882 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.69 162.15 16.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 74.319999999999993 110.878 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.83 -140.11 43.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.751 . . . . 32.549999999999997 112.478 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.526 ' HB2' ' CE1' ' A' ' 4' ' ' PHE . . . -83.22 113.69 20.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.768 0.318 . . . . 54.100000000000001 111.099 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.428 HG23 ' ND2' ' F' ' 27' ' ' ASN . 2.3 mm -101.62 111.82 32.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 61.100000000000001 111.153 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 13.2 mt -138.71 108.68 4.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 73.430000000000007 111.144 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.27 -52.17 10.81 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 70.099999999999994 112.467 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.797 HD13 ' N ' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -160.4 156.31 25.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.762 0.315 . . . . 62.399999999999999 110.913 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.8 mtp -130.38 122.65 28.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 54.509999999999998 110.897 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 94.4 t -130.49 116.12 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 71.109999999999999 111.146 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.21 19.67 52.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 71.219999999999999 112.485 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.91 173.14 15.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.747 . . . . 74.109999999999999 112.488 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.779 HG13 HG23 ' G' ' 39' ' ' VAL . 7.8 p -142.97 145.35 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 55.140000000000001 111.144 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.414 ' HA ' HG22 ' G' ' 40' ' ' VAL . 34.9 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 75.329999999999998 111.128 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.802 0.334 . . . . 63.549999999999997 110.9 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.96 93.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 41.030000000000001 111.094 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 3' ' ' GLU . . . . . 0.428 ' HG2' ' HA ' ' H' ' 3' ' ' GLU . 28.2 mm-40 -73.94 -23.7 59.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 75.030000000000001 110.91 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.77 115.21 4.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 71.400000000000006 110.866 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -107.54 109.11 20.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 74.439999999999998 110.88 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -105.39 108.85 20.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 72.540000000000006 110.868 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -117.9 105.01 11.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 73.439999999999998 110.893 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 9.0 t -145.92 173.89 11.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 50.32 110.861 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.08 -13.2 32.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 45.229999999999997 112.488 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.6 119.28 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 75.430000000000007 110.895 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -101.47 119.62 39.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 64.140000000000001 110.921 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 90.5 t -122.7 114.32 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 73.049999999999997 111.142 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -118.24 113.84 22.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 74.109999999999999 110.878 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -130.06 115.89 17.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 73.319999999999993 110.838 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.5 132.79 51.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 71.239999999999995 110.957 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -127.64 116.27 20.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 63.219999999999999 110.93 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.518 HD12 ' HE1' ' G' ' 19' ' ' PHE . 3.4 mm? -117.67 111.52 19.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 41.530000000000001 110.927 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.728 HG12 ' CG2' ' H' ' 18' ' ' VAL . 33.8 m -117.7 121.47 67.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 70.200000000000003 111.132 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.518 ' HE1' HD12 ' G' ' 17' ' ' LEU . 4.0 m-30 -102.13 114.17 28.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 62.200000000000003 110.839 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 11.1 m-30 57.16 75.49 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 71.239999999999995 110.874 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.88 126.21 50.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 62.420000000000002 111.118 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.49 82.11 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 64.129999999999995 110.854 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.684 ' CG1' HG23 ' H' ' 24' ' ' VAL . 3.1 p -123.1 138.63 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 64.200000000000003 111.138 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.99 -54.9 33.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.748 . . . . 62.119999999999997 112.491 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 75.4 m -161.63 128.71 3.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.909 0.385 . . . . 70.340000000000003 110.845 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 27' ' ' ASN . . . . . 0.41 ' OD1' HG11 ' G' ' 24' ' ' VAL . 2.0 m120 -100.78 106.96 18.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 72.400000000000006 110.901 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -111.34 161.14 16.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 72.439999999999998 110.925 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.24 -140.78 42.01 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.757 -0.735 . . . . 73.439999999999998 112.517 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.53 ' HB2' ' CE1' ' B' ' 4' ' ' PHE . . . -83.28 114.02 21.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.731 0.301 . . . . 64.540000000000006 111.082 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.403 HG23 ' ND2' ' G' ' 27' ' ' ASN . 2.3 mm -102.88 112.56 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 61.439999999999998 111.105 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 11.1 mt -136.43 110.22 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 74.120000000000005 111.134 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.04 -53.35 9.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.684 -0.77 . . . . 63.520000000000003 112.48 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.811 ' N ' HD13 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -158.05 154.89 28.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.785 0.326 . . . . 70.420000000000002 110.902 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -127.5 120.95 29.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 63.549999999999997 110.894 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 92.3 t -132.41 115.6 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 71.409999999999997 111.175 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.16 20.47 43.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 73.510000000000005 112.551 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.73 172.77 15.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 63.100000000000001 112.505 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.779 HG23 HG13 ' F' ' 39' ' ' VAL . 7.2 p -142.63 144.5 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.362 . . . . 61.210000000000001 111.119 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.423 ' HA ' HG22 ' H' ' 40' ' ' VAL . 35.3 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 72.349999999999994 111.121 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.814 0.34 . . . . 73.109999999999999 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.45 94.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 73.400000000000006 111.081 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 3' ' ' GLU . . . . . 0.428 ' HA ' ' HG2' ' G' ' 3' ' ' GLU . 31.2 mm-40 -75.87 -22.99 55.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 53.439999999999998 110.839 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.28 115.71 5.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 61.530000000000001 110.928 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -107.53 109.14 20.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 70.239999999999995 110.903 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -105.0 109.13 21.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 61.340000000000003 110.867 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -117.33 103.88 10.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 65.140000000000001 110.848 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 9.0 t -145.62 173.77 11.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 62.240000000000002 110.868 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.58 -12.92 31.57 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 62.5 112.501 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.44 119.88 0.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 70.409999999999997 110.918 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -101.29 119.99 39.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 55.310000000000002 110.898 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 92.2 t -123.51 114.33 41.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 61.130000000000003 111.131 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -119.12 113.45 20.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 74.019999999999996 110.879 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -128.9 116.11 18.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 74.129999999999995 110.845 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.42 132.57 51.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 74.230000000000004 110.923 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -126.3 116.6 21.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 64.439999999999998 110.937 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.418 HD13 ' CB ' ' G' ' 17' ' ' LEU . 3.8 mm? -119.56 111.48 18.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 74.439999999999998 110.932 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.728 ' CG2' HG12 ' G' ' 18' ' ' VAL . 33.0 m -118.76 121.82 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 71.400000000000006 111.132 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.415 ' CD2' HD12 ' I' ' 34' ' ' LEU . 3.0 m-30 -101.76 113.4 26.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 75.019999999999996 110.867 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 11.3 m-30 56.56 74.85 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 70.349999999999994 110.893 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.99 125.89 49.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 70.150000000000006 111.131 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.92 82.34 0.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 44.240000000000002 110.92 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 24' ' ' VAL . . . . . 0.684 HG23 ' CG1' ' G' ' 24' ' ' VAL . 3.1 p -122.67 138.56 52.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 73.200000000000003 111.15 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.2 -55.58 29.62 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.749 -0.739 . . . . 41.399999999999999 112.482 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 74.5 m -161.8 127.29 3.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.915 0.388 . . . . 54.140000000000001 110.867 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 27' ' ' ASN . . . . . 0.434 ' OD1' HG11 ' H' ' 24' ' ' VAL . 1.8 m120 -100.49 107.56 19.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 72.319999999999993 110.856 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -111.31 161.14 16.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 64.230000000000004 110.913 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.87 -141.41 41.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.723 -0.751 . . . . 63.32 112.539 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 30' ' ' ALA . . . . . 0.539 ' HB2' ' CE1' ' C' ' 4' ' ' PHE . . . -82.87 113.97 20.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.735 0.302 . . . . 54.420000000000002 111.099 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 2.4 mm -103.46 113.21 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 55.439999999999998 111.136 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 9.5 mt -135.21 110.96 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 72.400000000000006 111.107 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 33' ' ' GLY . . . . . 0.402 ' C ' HD13 ' H' ' 34' ' ' LEU . . . -46.25 -54.06 8.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 71.109999999999999 112.498 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.801 HD13 ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -156.34 153.89 29.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.783 0.325 . . . . 63.219999999999999 110.939 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -127.05 119.5 26.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 75.239999999999995 110.852 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 93.4 t -133.27 115.6 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 73.310000000000002 111.15 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.35 21.36 40.34 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 72.099999999999994 112.499 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.52 173.3 16.16 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 70.299999999999997 112.452 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.736 HG23 HG13 ' G' ' 39' ' ' VAL . 7.5 p -142.91 144.11 24.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.852 0.358 . . . . 73.129999999999995 111.14 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' H' H ' 40' ' ' VAL . . . . . 0.463 ' HA ' HG22 ' I' ' 40' ' ' VAL . 35.1 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 71.239999999999995 111.135 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.803 0.335 . . . . 72.299999999999997 110.867 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.39 93.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 61.409999999999997 111.134 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -77.15 -20.15 55.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 74.099999999999994 110.949 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -150.93 116.31 5.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 63.229999999999997 110.938 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -107.19 108.91 20.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 73.439999999999998 110.872 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -105.68 108.98 20.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 74.420000000000002 110.891 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -117.25 104.5 11.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 70.349999999999994 110.893 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 8.9 t -146.35 173.51 12.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 71.319999999999993 110.885 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.48 -13.36 30.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 72.299999999999997 112.499 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -172.48 119.79 0.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 75.109999999999999 110.926 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -100.58 119.98 39.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 72.409999999999997 110.869 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 90.3 t -123.44 114.21 40.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 73.540000000000006 111.142 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -119.1 113.51 21.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 74.219999999999999 110.895 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -128.88 116.12 18.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 75.219999999999999 110.831 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.74 132.75 51.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 74.439999999999998 110.949 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 16' ' ' LYS . . . . . 0.436 ' HD2' HG13 ' I' ' 18' ' ' VAL . 2.7 tptm -125.08 116.4 22.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.239999999999995 110.914 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.448 ' CB ' HD13 ' J' ' 17' ' ' LEU . 3.8 mm? -120.78 110.83 16.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.276 -0.42 . . . . 55.020000000000003 110.937 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 18' ' ' VAL . . . . . 0.702 ' CG2' HG12 ' H' ' 18' ' ' VAL . 28.8 m -118.4 122.9 70.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 72.140000000000001 111.167 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 19' ' ' PHE . . . . . 0.415 ' N ' ' CD1' ' I' ' 19' ' ' PHE . 2.2 m-30 -101.88 112.38 24.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 65.519999999999996 110.879 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 12.0 m-30 56.45 74.07 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 70.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.02 126.1 50.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 63.399999999999999 111.084 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.37 81.2 0.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 74.010000000000005 110.904 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.681 HG23 ' CG1' ' H' ' 24' ' ' VAL . 2.8 p -121.85 138.21 52.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 65.239999999999995 111.079 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.55 -55.65 29.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 73.239999999999995 112.457 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 74.4 m -161.82 125.47 3.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.371 . . . . 65.129999999999995 110.828 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 27' ' ' ASN . . . . . 0.607 ' ND2' HG11 ' I' ' 24' ' ' VAL . 11.1 m-20 -100.65 107.24 18.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 72.310000000000002 110.89 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -111.87 161.54 16.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 74.140000000000001 110.883 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.41 -140.83 37.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.796 -0.716 . . . . 63.240000000000002 112.49 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.573 ' HB2' ' CE1' ' D' ' 4' ' ' PHE . . . -83.08 113.68 20.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.747 0.308 . . . . 61.450000000000003 111.126 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 2.3 mm -104.89 113.22 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 74.329999999999998 111.128 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 8.2 mt -133.99 112.3 16.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 62.399999999999999 111.105 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 33' ' ' GLY . . . . . 0.485 ' C ' HD13 ' I' ' 34' ' ' LEU . . . -46.39 -55.16 8.05 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 51.439999999999998 112.489 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.782 ' N ' HD13 ' I' ' 34' ' ' LEU . 0.0 OUTLIER -155.36 152.97 29.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 63.539999999999999 110.936 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.8 mtp -127.44 118.91 24.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 53.310000000000002 110.917 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 88.2 t -134.24 114.74 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 73.340000000000003 111.147 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.25 22.27 43.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 70.019999999999996 112.524 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.24 173.84 16.89 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.741 . . . . 44.240000000000002 112.455 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 0.705 HG23 HG13 ' H' ' 39' ' ' VAL . 7.4 p -142.51 143.89 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 72.120000000000005 111.125 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' I' I ' 40' ' ' VAL . . . . . 0.463 HG22 ' HA ' ' H' ' 40' ' ' VAL . 34.7 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 65.230000000000004 111.165 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.834 0.349 . . . . 74.319999999999993 110.877 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.44 94.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 70.129999999999995 111.125 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -73.34 -21.36 60.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 73.25 110.848 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.97 116.68 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 71.340000000000003 110.867 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -107.23 108.93 20.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 73.129999999999995 110.903 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -104.78 110.2 22.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 74.209999999999994 110.898 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -117.17 103.3 10.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 53.439999999999998 110.873 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 8.8 t -146.39 172.4 13.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 75.120000000000005 110.901 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.06 -13.4 33.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 54.509999999999998 112.494 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.35 119.8 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.795 0.331 . . . . 54.549999999999997 110.972 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -99.8 120.01 39.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 63.009999999999998 110.887 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 97.4 t -123.96 114.49 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.230000000000004 111.059 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -119.31 114.33 22.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 73.129999999999995 110.851 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -128.31 115.65 18.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 52.25 110.813 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.22 133.26 50.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 63.340000000000003 110.862 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 16' ' ' LYS . . . . . 0.432 ' O ' HD22 ' J' ' 17' ' ' LEU . 3.0 tptm -125.34 115.75 20.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 72.420000000000002 110.873 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.448 HD13 ' CB ' ' I' ' 17' ' ' LEU . 3.9 mm? -121.59 107.8 12.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 63.200000000000003 110.942 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.691 ' CG2' HG12 ' I' ' 18' ' ' VAL . 28.8 m -115.12 123.96 71.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 52.009999999999998 111.161 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.432 ' CD1' ' N ' ' J' ' 19' ' ' PHE . 1.3 m-85 -102.21 110.33 22.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 72.349999999999994 110.909 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 20' ' ' PHE . . . . . 0.439 ' CE2' HG22 ' J' ' 31' ' ' ILE . 13.2 m-30 57.59 74.55 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 65.430000000000007 110.89 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.85 125.89 50.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 73.239999999999995 111.106 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.01 81.8 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 62.420000000000002 110.862 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.679 HG23 ' CG1' ' I' ' 24' ' ' VAL . 3.0 p -121.09 138.08 52.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 75.319999999999993 111.101 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.62 -56.06 27.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.795 -0.717 . . . . 71.099999999999994 112.44 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 74.8 m -162.0 121.63 2.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.896 0.379 . . . . 53.219999999999999 110.883 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 27' ' ' ASN . . . . . 0.632 ' ND2' HG11 ' J' ' 24' ' ' VAL . 14.1 m-20 -100.98 108.42 20.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 74.230000000000004 110.926 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -112.37 163.88 13.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 74.540000000000006 110.921 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.72 -141.32 38.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 55.240000000000002 112.544 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 0.475 ' HB2' ' CD1' ' E' ' 4' ' ' PHE . . . -83.24 113.83 20.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 63.240000000000002 111.081 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.439 HG22 ' CE2' ' J' ' 20' ' ' PHE . 2.1 mm -104.53 113.76 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 64.200000000000003 111.136 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 6.9 mt -130.71 111.61 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 70.25 111.124 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 33' ' ' GLY . . . . . 0.577 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -47.35 -53.14 12.37 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 62.109999999999999 112.448 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.746 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -154.8 153.62 31.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.779 0.323 . . . . 63.200000000000003 110.927 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' J' J ' 35' ' ' MET . . . . . 0.404 ' H ' HD22 ' I' ' 34' ' ' LEU . 3.1 mtp -131.24 118.25 20.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 73.340000000000003 110.88 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 84.1 t -138.25 114.73 10.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 73.439999999999998 111.104 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.33 21.72 41.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.807 -0.711 . . . . 55.420000000000002 112.444 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.97 174.18 18.13 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 74.0 112.514 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.634 HG23 HG13 ' I' ' 39' ' ' VAL . 7.1 p -141.61 142.93 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 75.230000000000004 111.14 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.455 HG22 ' HA ' ' I' ' 40' ' ' VAL . 35.7 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 70.040000000000006 111.157 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.822 0.344 . . . . 50.520000000000003 110.875 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.62 98.34 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 63.43 111.107 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.8 mp0 -52.29 -29.69 24.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 71.450000000000003 110.903 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' F' ' 30' ' ' ALA . 2.1 m-85 -150.58 112.66 4.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 72.299999999999997 110.939 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.9 108.41 6.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 74.450000000000003 110.897 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -114.69 129.22 56.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 64.319999999999993 110.846 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -133.42 101.7 5.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 62.539999999999999 110.841 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 90.3 p -152.87 128.34 9.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 73.450000000000003 110.8 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.03 -27.47 10.48 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.69 -0.766 . . . . 64.120000000000005 112.524 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.47 114.91 5.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.872 0.368 . . . . 71.200000000000003 110.881 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -114.25 119.67 37.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 64.040000000000006 110.835 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.7 t -136.16 119.54 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 52.329999999999998 111.103 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -121.54 112.38 18.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 65.510000000000005 110.858 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -119.19 123.94 45.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 74.329999999999998 110.871 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -126.17 135.92 52.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 64.450000000000003 110.925 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -132.32 121.83 24.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 74.329999999999998 110.921 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.735 HD21 ' O ' ' F' ' 37' ' ' GLY . 4.2 mm? -113.52 107.01 15.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 74.209999999999994 110.882 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 21' ' ' ALA . 18.6 t -105.81 109.54 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 74.200000000000003 111.127 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.451 ' HE1' HD12 ' A' ' 17' ' ' LEU . 11.7 m-30 -102.26 111.45 23.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 74.310000000000002 110.912 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 54.29 90.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 75.450000000000003 110.924 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.468 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . . . -118.46 147.77 43.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 51.109999999999999 111.097 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 53.11 82.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 73.439999999999998 110.867 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.624 HG11 ' OD1' ' A' ' 27' ' ' ASN . 6.8 p -132.14 128.3 58.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 62.420000000000002 111.12 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.33 -47.0 63.12 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 51.009999999999998 112.467 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.2 m -164.29 135.79 4.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 72.030000000000001 110.846 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.624 ' OD1' HG11 ' A' ' 24' ' ' VAL . 13.6 m120 -107.18 103.31 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 51.329999999999998 110.886 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 tptp -114.06 154.26 28.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 62.409999999999997 110.92 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.82 -139.79 26.85 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.743 . . . . 60.329999999999998 112.521 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.567 ' HB2' ' CE2' ' F' ' 4' ' ' PHE . . . -87.77 114.16 24.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.768 0.318 . . . . 74.409999999999997 111.122 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.455 HD13 ' C ' ' A' ' 30' ' ' ALA . 0.6 OUTLIER -112.83 109.01 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 72.510000000000005 111.132 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.0 mt -131.77 108.9 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 61.340000000000003 111.124 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.31 -49.23 20.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 71.409999999999997 112.504 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.823 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -158.36 153.72 25.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.323 . . . . 71.129999999999995 110.91 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.01 121.93 34.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 52.119999999999997 110.867 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.41 HG11 HG21 ' F' ' 36' ' ' VAL . 89.9 t -125.45 112.04 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 71.019999999999996 111.144 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLY . . . . . 0.713 ' O ' HD21 ' F' ' 17' ' ' LEU . . . 61.92 15.51 49.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 61.140000000000001 112.453 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.01 154.43 23.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 74.409999999999997 112.48 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.633 ' H ' HG12 ' B' ' 39' ' ' VAL . 15.8 m -128.57 -176.49 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 52.119999999999997 111.124 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 73.510000000000005 111.15 179.888 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.814 0.34 . . . . 75.129999999999995 110.921 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.25 98.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 73.409999999999997 111.056 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 39.9 mp0 -53.06 -28.25 23.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 72.409999999999997 110.862 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.583 ' CE2' ' HB2' ' G' ' 30' ' ' ALA . 2.3 m-85 -151.72 112.16 4.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 74.319999999999993 110.86 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.4 108.55 8.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 71.25 110.885 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -115.01 129.05 56.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 63.310000000000002 110.877 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -133.8 102.31 5.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 71.099999999999994 110.884 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' C' ' 8' ' ' SER . 88.8 p -154.49 127.67 8.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 75.299999999999997 110.847 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.85 -26.3 10.83 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 32.539999999999999 112.491 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.31 112.83 5.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.826 0.346 . . . . 75.129999999999995 110.961 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -111.31 119.95 40.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 71.230000000000004 110.859 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 31.3 t -134.36 121.42 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 62.020000000000003 111.141 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -121.46 112.54 18.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 74.219999999999999 110.838 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -116.04 123.79 48.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 74.299999999999997 110.861 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -125.2 132.07 53.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 72.540000000000006 110.874 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -128.97 122.28 29.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 62.329999999999998 110.895 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.758 ' HB2' HD13 ' C' ' 17' ' ' LEU . 4.3 mm? -116.75 102.12 9.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 65.219999999999999 110.933 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' B' ' 21' ' ' ALA . 18.2 t -102.66 108.86 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 73.040000000000006 111.135 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.587 ' HE1' HD12 ' B' ' 17' ' ' LEU . 9.8 m-30 -102.79 108.85 20.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 73.409999999999997 110.849 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.424 ' CD2' HG22 ' B' ' 31' ' ' ILE . 8.5 m-30 56.01 90.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 63.130000000000003 110.889 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.481 ' HB2' ' CG1' ' B' ' 18' ' ' VAL . . . -117.72 148.15 42.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 70.530000000000001 111.093 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 53.06 82.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 71.25 110.882 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.613 HG11 ' OD1' ' B' ' 27' ' ' ASN . 6.3 p -133.41 127.4 53.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 75.530000000000001 111.119 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.9 -45.05 87.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 32.229999999999997 112.511 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 34.2 m -164.07 135.54 4.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 65.400000000000006 110.867 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.613 ' OD1' HG11 ' B' ' 24' ' ' VAL . 11.6 m120 -107.57 103.55 12.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 62.039999999999999 110.899 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -114.08 155.66 25.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 63.32 110.921 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.38 -139.03 26.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 64.450000000000003 112.498 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.576 ' HB2' ' CE2' ' G' ' 4' ' ' PHE . . . -88.55 114.04 24.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.76 0.314 . . . . 52.340000000000003 111.109 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.424 HG22 ' CD2' ' B' ' 20' ' ' PHE . 0.7 OUTLIER -111.3 108.21 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 72.409999999999997 111.147 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 mt -131.14 109.42 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 71.420000000000002 111.157 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.58 -49.85 20.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 55.049999999999997 112.513 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.826 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -156.2 151.87 27.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 61.520000000000003 110.902 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -124.07 119.84 30.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 74.319999999999993 110.906 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.439 HG21 HG11 ' G' ' 36' ' ' VAL . 86.3 t -127.55 112.12 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 52.450000000000003 111.143 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 37' ' ' GLY . . . . . 0.635 ' O ' HD21 ' G' ' 17' ' ' LEU . . . 59.53 17.86 42.17 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 62.32 112.524 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.35 154.68 22.54 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.798 -0.715 . . . . 70.129999999999995 112.523 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.633 HG12 ' H ' ' A' ' 39' ' ' VAL . 11.4 m -126.83 -176.45 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.886 0.374 . . . . 74.200000000000003 111.105 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 74.120000000000005 111.161 179.892 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.853 0.359 . . . . 72.409999999999997 110.901 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.32 98.67 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.140000000000001 111.088 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 37.8 mp0 -52.41 -28.32 19.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 73.409999999999997 110.922 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 4' ' ' PHE . . . . . 0.588 ' CE2' ' HB2' ' H' ' 30' ' ' ALA . 2.4 m-85 -151.54 112.21 4.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 63.130000000000003 110.868 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.94 108.35 8.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 75.140000000000001 110.833 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -116.04 127.36 54.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 75.200000000000003 110.892 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -131.81 102.27 5.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 53.119999999999997 110.887 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 8' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' B' ' 8' ' ' SER . 89.3 p -154.3 127.28 8.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 73.450000000000003 110.879 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.12 -25.99 11.66 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.735 -0.745 . . . . 72.420000000000002 112.489 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.37 112.9 5.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.856 0.36 . . . . 75.129999999999995 110.928 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -109.9 119.7 40.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 73.450000000000003 110.873 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 33.2 t -133.46 121.31 41.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 71.230000000000004 111.103 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -121.62 112.76 18.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 75.120000000000005 110.836 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m80 -115.6 123.03 47.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 72.25 110.84 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -124.13 131.54 53.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 72.540000000000006 110.936 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -127.79 123.21 34.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 71.219999999999999 110.861 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.762 ' HB2' HD13 ' D' ' 17' ' ' LEU . 4.3 mm? -119.79 100.81 7.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 65.530000000000001 110.927 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.484 ' CG1' ' HB2' ' C' ' 21' ' ' ALA . 17.6 t -101.78 109.31 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 74.109999999999999 111.139 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.569 ' HE1' HD12 ' C' ' 17' ' ' LEU . 8.4 m-30 -102.77 106.77 17.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 60.140000000000001 110.886 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.435 ' CD2' HG22 ' C' ' 31' ' ' ILE . 8.7 m-30 56.81 90.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 74.439999999999998 110.855 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.484 ' HB2' ' CG1' ' C' ' 18' ' ' VAL . . . -118.31 148.04 42.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 73.209999999999994 111.051 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 52.8 82.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 74.420000000000002 110.835 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.605 HG11 ' OD1' ' C' ' 27' ' ' ASN . 6.2 p -133.39 126.33 52.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 73.209999999999994 111.101 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.19 -44.79 84.03 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.741 . . . . 73.420000000000002 112.469 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 33.8 m -164.05 135.84 4.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 71.209999999999994 110.866 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.605 ' OD1' HG11 ' C' ' 24' ' ' VAL . 11.5 m120 -107.51 103.85 13.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 74.510000000000005 110.887 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -114.51 155.76 25.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 52.219999999999999 110.904 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.43 -139.1 26.13 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 60.210000000000001 112.471 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.575 ' HB2' ' CZ ' ' H' ' 4' ' ' PHE . . . -88.34 113.8 24.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.725 0.298 . . . . 62.229999999999997 111.144 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.435 HG22 ' CD2' ' C' ' 20' ' ' PHE . 0.7 OUTLIER -110.98 107.87 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 74.400000000000006 111.157 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -130.62 109.94 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 63.450000000000003 111.087 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.49 -50.21 18.92 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 64.109999999999999 112.452 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.823 ' N ' HD13 ' C' ' 34' ' ' LEU . 0.0 OUTLIER -154.88 151.95 29.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 74.230000000000004 110.884 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -124.83 118.49 26.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 64.409999999999997 110.85 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.417 HG21 HG11 ' H' ' 36' ' ' VAL . 85.8 t -129.41 111.5 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 71.540000000000006 111.142 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 37' ' ' GLY . . . . . 0.632 ' O ' HD21 ' H' ' 17' ' ' LEU . . . 58.18 18.59 35.54 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 73.540000000000006 112.483 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.4 154.42 22.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 71.25 112.506 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.58 HG12 ' H ' ' B' ' 39' ' ' VAL . 10.8 m -129.87 -175.81 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 72.349999999999994 111.109 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 72.439999999999998 111.103 179.89 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.861 0.363 . . . . 62.100000000000001 110.891 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.65 98.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 62.109999999999999 111.067 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 38.9 mp0 -52.79 -28.26 21.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 62.539999999999999 110.898 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 4' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' I' ' 30' ' ' ALA . 2.5 m-85 -150.87 112.06 4.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 74.25 110.861 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.95 108.05 9.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 74.430000000000007 110.842 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -117.11 125.52 51.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 52.329999999999998 110.84 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -129.64 102.22 6.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 64.519999999999996 110.88 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 8' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' C' ' 8' ' ' SER . 90.2 p -154.61 127.38 8.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 72.140000000000001 110.867 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.99 -25.66 17.42 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.747 -0.739 . . . . 74.409999999999997 112.486 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.26 113.71 5.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.833 0.349 . . . . 73.420000000000002 110.961 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -109.37 120.04 41.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 73.420000000000002 110.863 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 31.8 t -132.79 121.43 44.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 71.329999999999998 111.109 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -122.1 112.49 18.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 74.340000000000003 110.868 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -115.2 124.39 51.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 72.129999999999995 110.861 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -125.16 131.28 53.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 75.439999999999998 110.914 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -126.3 122.25 34.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 75.540000000000006 110.878 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.762 HD13 ' HB2' ' C' ' 17' ' ' LEU . 4.2 mm? -121.49 100.72 7.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 74.209999999999994 110.937 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.511 ' CG1' ' HB2' ' D' ' 21' ' ' ALA . 21.1 t -102.23 109.7 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 71.239999999999995 111.163 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.578 ' HE1' HD12 ' D' ' 17' ' ' LEU . 7.8 m-30 -101.96 105.07 15.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 74.450000000000003 110.863 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.435 ' CD2' HG22 ' D' ' 31' ' ' ILE . 8.6 m-30 57.09 90.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 74.040000000000006 110.887 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 21' ' ' ALA . . . . . 0.511 ' HB2' ' CG1' ' D' ' 18' ' ' VAL . . . -118.24 147.95 42.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 43.439999999999998 111.107 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 53.17 82.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 53.030000000000001 110.865 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.592 HG11 ' OD1' ' D' ' 27' ' ' ASN . 6.2 p -133.57 126.13 51.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 52.32 111.155 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.28 -44.29 84.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.677 -0.773 . . . . 72.230000000000004 112.532 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 34.7 m -164.21 135.73 4.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.374 . . . . 70.109999999999999 110.912 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.592 ' OD1' HG11 ' D' ' 24' ' ' VAL . 11.0 m120 -107.07 103.29 12.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 72.430000000000007 110.887 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -114.26 156.47 24.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 63.140000000000001 110.861 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.13 -138.43 25.42 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.731 -0.747 . . . . 51.140000000000001 112.52 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.585 ' HB2' ' CZ ' ' I' ' 4' ' ' PHE . . . -89.13 113.96 25.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 74.219999999999999 111.092 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.435 HG22 ' CD2' ' D' ' 20' ' ' PHE . 0.7 OUTLIER -110.61 107.91 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 62.520000000000003 111.145 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 mt -130.32 110.35 18.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 72.349999999999994 111.119 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 33' ' ' GLY . . . . . 0.469 ' C ' HD13 ' D' ' 34' ' ' LEU . . . -47.76 -51.54 17.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 44.399999999999999 112.464 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.818 ' N ' HD13 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -152.81 150.76 29.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.759 0.314 . . . . 75.239999999999995 110.967 -179.883 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -124.97 117.57 24.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 74.450000000000003 110.87 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 93.3 t -132.68 111.09 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 75.219999999999999 111.181 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 37' ' ' GLY . . . . . 0.663 ' O ' HD21 ' I' ' 17' ' ' LEU . . . 59.67 17.36 41.34 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.722 -0.752 . . . . 64.420000000000002 112.447 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.84 156.81 23.03 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 74.329999999999998 112.488 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.575 HG12 ' H ' ' C' ' 39' ' ' VAL . 5.7 m -131.51 -176.01 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.375 . . . . 73.329999999999998 111.161 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 18.0 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 75.319999999999993 111.122 179.912 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.797 0.332 . . . . 61.140000000000001 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.51 98.47 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 70.019999999999996 111.063 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 39.3 mp0 -52.83 -28.24 21.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 73.150000000000006 110.869 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 4' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' J' ' 30' ' ' ALA . 2.5 m-85 -150.46 113.84 4.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 61.219999999999999 110.888 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.05 107.55 9.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 73.439999999999998 110.841 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -118.16 123.83 46.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 70.120000000000005 110.889 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -127.35 101.34 6.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 63.409999999999997 110.882 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 90.3 p -155.51 128.1 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 73.230000000000004 110.895 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.78 -23.45 37.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 74.409999999999997 112.485 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.87 113.24 5.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 73.219999999999999 110.884 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -109.41 120.22 41.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 70.530000000000001 110.874 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 34.5 t -132.54 122.52 47.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 75.030000000000001 111.131 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -122.32 112.82 18.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 71.340000000000003 110.856 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -113.33 127.7 56.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 63.109999999999999 110.845 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -128.56 132.68 48.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 75.140000000000001 110.923 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -127.62 120.44 28.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 74.040000000000006 110.905 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.76 HD13 ' HB2' ' D' ' 17' ' ' LEU . 4.1 mm? -122.69 100.97 7.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 75.540000000000006 110.887 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.502 ' CG1' ' HB2' ' E' ' 21' ' ' ALA . 17.2 t -100.93 111.52 30.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 44.140000000000001 111.099 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.508 ' HE1' HD12 ' E' ' 17' ' ' LEU . 8.9 m-30 -102.13 100.71 10.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 75.129999999999995 110.889 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.431 ' CD2' HG22 ' E' ' 31' ' ' ILE . 8.8 m-30 57.66 90.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 71.420000000000002 110.865 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 21' ' ' ALA . . . . . 0.502 ' HB2' ' CG1' ' E' ' 18' ' ' VAL . . . -118.16 149.97 40.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 51.420000000000002 111.105 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 51.57 82.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 75.549999999999997 110.892 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.596 HG11 ' OD1' ' E' ' 27' ' ' ASN . 7.0 p -132.92 124.92 51.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 75.349999999999994 111.166 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.22 -44.29 84.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 64.0 112.449 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 30.6 m -163.89 134.48 4.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 65.329999999999998 110.819 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.596 ' OD1' HG11 ' E' ' 24' ' ' VAL . 10.1 m120 -105.58 102.95 12.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.310000000000002 110.897 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -114.2 157.57 22.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 74.129999999999995 110.889 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.52 -138.49 26.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 44.240000000000002 112.473 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.592 ' HB2' ' CZ ' ' J' ' 4' ' ' PHE . . . -89.51 113.76 25.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.765 0.317 . . . . 75.209999999999994 111.104 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.431 HG22 ' CD2' ' E' ' 20' ' ' PHE . 0.8 OUTLIER -109.05 107.31 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 64.150000000000006 111.188 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 mt -127.59 109.87 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 64.030000000000001 111.119 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 33' ' ' GLY . . . . . 0.567 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -48.76 -49.33 28.37 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 71.109999999999999 112.519 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.774 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -153.11 151.0 29.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.841 0.353 . . . . 75.409999999999997 110.903 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -128.94 117.7 21.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 64.040000000000006 110.936 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 94.4 t -135.74 110.5 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 63.210000000000001 111.13 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 37' ' ' GLY . . . . . 0.673 ' O ' HD21 ' J' ' 17' ' ' LEU . . . 58.17 18.16 33.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.674 -0.774 . . . . 70.299999999999997 112.52 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.14 159.75 24.44 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.752 -0.737 . . . . 74.450000000000003 112.533 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.562 HG12 ' O ' ' D' ' 39' ' ' VAL . 12.4 m -130.46 -175.66 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 55.140000000000001 111.113 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 74.409999999999997 111.105 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.781 0.324 . . . . 75.329999999999998 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.2 97.76 0.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 70.5 111.112 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 39.7 mp0 -52.51 -29.89 27.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 72.439999999999998 110.865 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 4' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 2.3 m-85 -151.73 113.2 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 73.310000000000002 110.881 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.57 108.52 6.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 74.049999999999997 110.907 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -114.47 128.68 56.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 64.219999999999999 110.814 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -132.86 101.79 5.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 74.530000000000001 110.886 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 8' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' G' ' 8' ' ' SER . 91.0 p -152.68 128.15 9.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 34.100000000000001 110.862 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.5 -27.26 11.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 53.240000000000002 112.517 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.29 114.83 5.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.877 0.37 . . . . 53.219999999999999 110.907 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -113.66 119.65 38.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 72.450000000000003 110.921 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 31.0 t -133.73 120.7 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 71.450000000000003 111.099 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -121.2 112.62 18.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 73.109999999999999 110.87 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 4.2 m80 -121.15 122.09 39.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 72.340000000000003 110.887 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -125.85 134.54 51.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.219999999999999 110.947 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -131.62 122.38 25.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 75.299999999999997 110.898 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.761 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.2 mm? -115.17 106.3 13.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 75.140000000000001 110.905 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' F' ' 21' ' ' ALA . 19.0 t -105.26 109.89 29.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 74.409999999999997 111.103 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.448 ' HE1' HD12 ' F' ' 17' ' ' LEU . 11.7 m-30 -102.67 110.92 23.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 65.219999999999999 110.839 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 54.89 90.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 75.25 110.938 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 21' ' ' ALA . . . . . 0.476 ' HB2' ' CG1' ' F' ' 18' ' ' VAL . . . -118.51 147.84 43.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 75.239999999999995 111.094 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 53.12 82.45 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 71.120000000000005 110.863 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.567 HG11 ' OD1' ' F' ' 27' ' ' ASN . 7.0 p -132.57 127.69 56.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 51.109999999999999 111.141 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.93 -46.94 67.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.671 -0.776 . . . . 74.439999999999998 112.546 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 34.0 m -164.0 134.7 4.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 74.439999999999998 110.872 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 27' ' ' ASN . . . . . 0.567 ' OD1' HG11 ' F' ' 24' ' ' VAL . 13.2 m120 -104.82 104.01 13.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 75.430000000000007 110.842 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 tptp -113.25 155.0 25.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 70.439999999999998 110.935 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.7 -140.4 29.04 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.75 . . . . 71.239999999999995 112.458 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.56 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . . . -87.91 113.97 24.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.324 . . . . 43.200000000000003 111.067 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.428 HD13 ' C ' ' F' ' 30' ' ' ALA . 0.6 OUTLIER -110.8 109.26 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 73.420000000000002 111.137 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mt -132.31 108.58 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 74.200000000000003 111.122 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.89 -49.8 16.54 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.688 -0.767 . . . . 54.140000000000001 112.468 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.824 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -158.51 153.57 25.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.798 0.332 . . . . 72.120000000000005 110.965 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -125.74 121.27 32.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 73.319999999999993 110.839 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.41 HG21 HG11 ' A' ' 36' ' ' VAL . 87.8 t -124.53 111.74 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 70.400000000000006 111.076 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 37' ' ' GLY . . . . . 0.735 ' O ' HD21 ' A' ' 17' ' ' LEU . . . 61.16 15.9 46.22 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.729 -0.748 . . . . 75.5 112.48 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.87 153.45 22.21 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.79 -0.719 . . . . 21.120000000000001 112.489 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.625 ' H ' HG12 ' G' ' 39' ' ' VAL . 15.5 m -128.87 -174.58 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.836 0.35 . . . . 73.200000000000003 111.108 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 18.5 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 72.200000000000003 111.142 179.918 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.79 0.329 . . . . 73.420000000000002 110.852 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.37 97.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 73.430000000000007 111.106 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 39.5 mp0 -52.56 -30.19 29.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 64.25 110.846 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 4' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' B' ' 30' ' ' ALA . 2.6 m-85 -152.15 112.96 4.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 72.140000000000001 110.886 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.45 108.7 8.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 64.349999999999994 110.86 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -114.48 128.32 56.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 74.409999999999997 110.851 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -132.91 102.53 5.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 63.409999999999997 110.855 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 8' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' H' ' 8' ' ' SER . 89.8 p -154.68 127.37 8.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 62.539999999999999 110.861 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.76 -26.63 11.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 73.530000000000001 112.481 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.09 112.86 5.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.813 0.339 . . . . 74.040000000000006 110.959 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -110.71 119.62 39.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 75.230000000000004 110.894 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 31.6 t -133.58 121.2 40.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 74.150000000000006 111.101 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -121.43 113.17 19.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 75.010000000000005 110.868 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -116.66 123.01 46.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 72.409999999999997 110.904 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -124.64 131.87 53.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 75.329999999999998 110.942 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -129.48 122.75 29.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 75.239999999999995 110.911 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.79 ' HB2' HD13 ' H' ' 17' ' ' LEU . 4.3 mm? -117.67 101.87 8.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 72.519999999999996 110.896 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' G' ' 21' ' ' ALA . 18.0 t -102.16 108.84 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 73.010000000000005 111.144 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.584 ' HE1' HD12 ' G' ' 17' ' ' LEU . 9.7 m-30 -102.74 108.52 19.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 73.510000000000005 110.939 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 0.407 ' CD2' HG22 ' G' ' 31' ' ' ILE . 8.3 m-30 56.5 90.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 74.299999999999997 110.886 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 21' ' ' ALA . . . . . 0.471 ' HB2' ' CG1' ' G' ' 18' ' ' VAL . . . -118.29 148.65 42.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 53.009999999999998 111.063 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 53.01 82.81 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 75.430000000000007 110.831 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.585 HG11 ' OD1' ' G' ' 27' ' ' ASN . 6.5 p -133.61 126.85 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 71.230000000000004 111.178 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.73 -44.76 91.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 62.219999999999999 112.492 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 34.9 m -163.18 134.94 5.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.372 . . . . 75.219999999999999 110.868 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 27' ' ' ASN . . . . . 0.585 ' OD1' HG11 ' G' ' 24' ' ' VAL . 11.0 m120 -106.52 103.46 12.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 74.140000000000001 110.909 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 tptp -113.46 156.85 22.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 71.430000000000007 110.887 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.24 -140.05 29.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.759 . . . . 61.539999999999999 112.463 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.583 ' HB2' ' CE2' ' B' ' 4' ' ' PHE . . . -88.43 113.85 24.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 63.340000000000003 111.083 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.407 HG22 ' CD2' ' G' ' 20' ' ' PHE . 0.7 OUTLIER -109.41 108.07 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 71.439999999999998 111.123 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 mt -131.0 108.94 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 73.510000000000005 111.151 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.42 -49.99 19.03 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 65.219999999999999 112.455 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.818 ' N ' HD13 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -156.69 152.44 27.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.784 0.326 . . . . 62.43 110.93 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -124.39 119.4 29.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 71.420000000000002 110.846 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.439 HG11 HG21 ' B' ' 36' ' ' VAL . 86.5 t -126.51 111.72 27.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 74.239999999999995 111.105 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 37' ' ' GLY . . . . . 0.672 ' O ' HD21 ' B' ' 17' ' ' LEU . . . 58.44 18.36 36.41 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.685 -0.769 . . . . 54.109999999999999 112.492 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.33 153.5 21.58 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 51.520000000000003 112.479 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.625 HG12 ' H ' ' F' ' 39' ' ' VAL . 11.1 m -127.18 -174.74 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 72.140000000000001 111.09 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 17.9 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 75.230000000000004 111.143 179.943 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.82 0.343 . . . . 60.119999999999997 110.868 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.54 98.14 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 64.310000000000002 111.083 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 39.8 mp0 -52.47 -29.55 25.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 75.209999999999994 110.923 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 4' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' C' ' 30' ' ' ALA . 2.6 m-85 -151.84 112.73 4.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 74.340000000000003 110.828 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.13 108.44 8.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 74.129999999999995 110.852 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -115.76 126.9 54.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 62.229999999999997 110.857 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -131.35 102.63 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 74.150000000000006 110.849 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 8' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' G' ' 8' ' ' SER . 90.4 p -154.45 127.32 8.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 61.100000000000001 110.866 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.91 -26.42 11.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 74.519999999999996 112.478 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.34 112.57 4.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.825 0.345 . . . . 61.520000000000003 110.94 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -109.09 119.83 40.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 72.340000000000003 110.922 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 32.0 t -133.51 121.38 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 72.439999999999998 111.157 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -121.63 113.17 19.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 72.319999999999993 110.867 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -115.98 123.03 46.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 74.25 110.911 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -124.37 131.48 53.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 75.109999999999999 110.927 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -127.96 122.55 32.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 63.310000000000002 110.907 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.79 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.3 mm? -119.52 100.65 7.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 73.120000000000005 110.877 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' H' ' 21' ' ' ALA . 18.5 t -101.57 109.19 25.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 64.549999999999997 111.144 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.573 ' HE1' HD12 ' H' ' 17' ' ' LEU . 8.4 m-30 -102.5 106.57 17.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 74.230000000000004 110.889 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 20' ' ' PHE . . . . . 0.418 ' CD2' HG22 ' H' ' 31' ' ' ILE . 8.5 m-30 57.24 90.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 74.329999999999998 110.861 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 21' ' ' ALA . . . . . 0.476 ' HB2' ' CG1' ' H' ' 18' ' ' VAL . . . -118.54 148.24 42.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 63.5 111.096 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 53.05 82.7 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 72.239999999999995 110.839 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 24' ' ' VAL . . . . . 0.576 HG11 ' OD1' ' H' ' 27' ' ' ASN . 6.4 p -133.53 126.0 51.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 71.329999999999998 111.134 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.92 -44.71 87.61 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 62.219999999999999 112.479 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 34.0 m -163.16 135.04 5.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.944 0.402 . . . . 63.409999999999997 110.829 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 27' ' ' ASN . . . . . 0.576 ' OD1' HG11 ' H' ' 24' ' ' VAL . 10.9 m120 -106.17 103.21 12.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 73.109999999999999 110.92 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 tptp -113.63 156.93 22.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 74.209999999999994 110.901 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.28 -139.46 28.06 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.696 -0.764 . . . . 62.119999999999997 112.521 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 30' ' ' ALA . . . . . 0.588 ' HB2' ' CE2' ' C' ' 4' ' ' PHE . . . -88.76 113.8 24.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.765 0.317 . . . . 74.329999999999998 111.061 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.418 HG22 ' CD2' ' H' ' 20' ' ' PHE . 0.7 OUTLIER -109.34 107.9 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 72.420000000000002 111.18 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -130.93 109.64 16.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 72.349999999999994 111.132 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 33' ' ' GLY . . . . . 0.417 ' C ' HD13 ' H' ' 34' ' ' LEU . . . -47.58 -50.59 18.68 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 73.140000000000001 112.46 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.813 ' N ' HD13 ' H' ' 34' ' ' LEU . 0.0 OUTLIER -154.69 151.78 29.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 70.439999999999998 110.924 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -124.36 118.03 25.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 75.409999999999997 110.86 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.417 HG11 HG21 ' C' ' 36' ' ' VAL . 86.7 t -129.61 111.33 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 53.420000000000002 111.115 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 37' ' ' GLY . . . . . 0.666 ' O ' HD21 ' C' ' 17' ' ' LEU . . . 59.05 18.11 39.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.826 -0.702 . . . . 75.540000000000006 112.457 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.74 153.98 21.94 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 51.329999999999998 112.475 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.63 ' H ' HG12 ' I' ' 39' ' ' VAL . 5.3 m -130.49 -174.53 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 73.209999999999994 111.113 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 74.439999999999998 111.137 179.912 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.869 0.366 . . . . 71.129999999999995 110.866 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.4 98.22 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 64.519999999999996 111.089 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 40.4 mp0 -52.34 -29.93 26.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 65.409999999999997 110.854 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 4' ' ' PHE . . . . . 0.585 ' CZ ' ' HB2' ' D' ' 30' ' ' ALA . 2.7 m-85 -150.84 112.68 4.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 73.420000000000002 110.899 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.44 108.52 9.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 72.340000000000003 110.882 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -117.0 125.12 50.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 65.129999999999995 110.834 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -129.37 102.61 6.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 72.420000000000002 110.847 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 8' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' H' ' 8' ' ' SER . 89.0 p -154.91 127.19 7.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 73.340000000000003 110.853 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.97 -25.7 17.35 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.749 -0.739 . . . . 62.149999999999999 112.486 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.08 113.76 5.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.873 0.368 . . . . 73.420000000000002 110.881 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -109.24 119.84 40.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 75.319999999999993 110.885 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 32.1 t -133.39 120.86 40.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 74.120000000000005 111.105 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -121.9 113.15 19.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 73.340000000000003 110.875 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 4.4 m80 -115.27 124.06 50.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 73.25 110.858 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -124.95 131.41 53.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 72.420000000000002 110.929 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -126.53 122.43 35.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 71.349999999999994 110.875 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.764 HD13 ' HB2' ' H' ' 17' ' ' LEU . 4.2 mm? -121.56 100.61 7.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 73.5 110.889 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 18' ' ' VAL . . . . . 0.507 ' CG1' ' HB2' ' I' ' 21' ' ' ALA . 20.9 t -102.29 109.86 27.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 72.349999999999994 111.113 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 19' ' ' PHE . . . . . 0.565 ' HE1' HD12 ' I' ' 17' ' ' LEU . 7.8 m-30 -102.06 104.96 15.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 75.420000000000002 110.878 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 20' ' ' PHE . . . . . 0.424 ' CD2' HG22 ' I' ' 31' ' ' ILE . 8.5 m-30 57.34 90.56 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 64.099999999999994 110.881 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 21' ' ' ALA . . . . . 0.507 ' HB2' ' CG1' ' I' ' 18' ' ' VAL . . . -118.74 148.84 42.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 43.219999999999999 111.112 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 52.78 82.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 73.409999999999997 110.856 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.557 HG11 ' OD1' ' I' ' 27' ' ' ASN . 6.3 p -133.41 125.87 51.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 63.039999999999999 111.166 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.98 -44.27 87.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 51.439999999999998 112.504 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 34.6 m -163.16 135.3 5.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 64.450000000000003 110.872 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 27' ' ' ASN . . . . . 0.557 ' OD1' HG11 ' I' ' 24' ' ' VAL . 10.3 m120 -106.17 102.88 12.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 63.200000000000003 110.91 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 tptp -113.94 157.17 22.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 73.430000000000007 110.867 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.47 -139.59 28.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.707 -0.759 . . . . 72.519999999999996 112.512 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.572 ' HB2' ' CE2' ' D' ' 4' ' ' PHE . . . -88.78 113.65 24.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.75 0.309 . . . . 74.409999999999997 111.082 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.424 HG22 ' CD2' ' I' ' 20' ' ' PHE . 0.7 OUTLIER -109.13 107.97 24.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 63.130000000000003 111.157 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 mt -130.52 110.09 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 72.049999999999997 111.148 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 33' ' ' GLY . . . . . 0.484 ' C ' HD13 ' I' ' 34' ' ' LEU . . . -47.66 -51.9 16.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.761 . . . . 62.329999999999998 112.491 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.806 ' N ' HD13 ' I' ' 34' ' ' LEU . 0.0 OUTLIER -152.86 150.53 29.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.781 0.324 . . . . 63.530000000000001 110.937 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -124.55 117.74 25.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 73.209999999999994 110.891 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 92.5 t -132.02 111.14 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 51.539999999999999 111.103 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 37' ' ' GLY . . . . . 0.675 ' O ' HD21 ' D' ' 17' ' ' LEU . . . 58.71 17.6 35.23 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.75 . . . . 71.109999999999999 112.443 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.0 155.72 22.16 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 42.350000000000001 112.467 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 0.63 HG12 ' H ' ' H' ' 39' ' ' VAL . 5.3 m -132.35 -174.13 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 75.5 111.129 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 18.5 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 65.530000000000001 111.069 179.943 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.786 0.327 . . . . 75.349999999999994 110.846 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.96 98.12 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 74.450000000000003 111.05 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 39.4 mp0 -52.0 -29.66 21.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 75.540000000000006 110.916 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 4' ' ' PHE . . . . . 0.592 ' CZ ' ' HB2' ' E' ' 30' ' ' ALA . 2.6 m-85 -150.37 114.31 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 61.420000000000002 110.867 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.62 107.96 9.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 75.439999999999998 110.88 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -117.59 123.81 47.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 74.219999999999999 110.86 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -127.55 101.6 6.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 73.129999999999995 110.839 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 87.7 p -155.8 127.99 7.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 54.439999999999998 110.812 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.48 -23.81 36.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 70.319999999999993 112.478 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.86 113.55 5.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.833 0.349 . . . . 73.219999999999999 110.945 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -108.83 119.94 41.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 73.510000000000005 110.889 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 32.1 t -133.26 120.62 40.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 54.520000000000003 111.13 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -122.54 113.24 19.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 73.340000000000003 110.842 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 4.5 m80 -114.1 127.08 55.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 62.329999999999998 110.832 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -127.45 132.77 49.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 63.509999999999998 110.946 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 tttp -126.65 122.35 34.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 72.319999999999993 110.867 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.738 HD13 ' HB2' ' I' ' 17' ' ' LEU . 4.1 mm? -123.78 100.7 6.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 64.510000000000005 110.954 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.503 ' CG1' ' HB2' ' J' ' 21' ' ' ALA . 17.5 t -100.59 111.67 30.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 74.439999999999998 111.1 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.559 ' HE1' HD12 ' J' ' 17' ' ' LEU . 8.7 m-30 -102.33 100.72 10.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 74.109999999999999 110.885 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 20' ' ' PHE . . . . . 0.426 ' CD2' HG22 ' J' ' 31' ' ' ILE . 8.6 m-30 57.87 90.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 72.219999999999999 110.894 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 21' ' ' ALA . . . . . 0.503 ' HB2' ' CG1' ' J' ' 18' ' ' VAL . . . -118.35 150.2 39.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 64.099999999999994 111.101 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 51.69 82.13 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 72.010000000000005 110.904 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.602 HG11 ' OD1' ' J' ' 27' ' ' ASN . 6.8 p -132.95 123.97 49.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 73.310000000000002 111.122 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.29 -43.21 84.37 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 70.420000000000002 112.5 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 34.2 m -163.91 134.02 4.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 75.430000000000007 110.876 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 27' ' ' ASN . . . . . 0.602 ' OD1' HG11 ' J' ' 24' ' ' VAL . 9.7 m120 -105.06 102.26 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 74.209999999999994 110.93 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -113.95 158.22 21.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 44.240000000000002 110.882 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.93 -140.15 29.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 71.209999999999994 112.498 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 0.57 ' HB2' ' CZ ' ' E' ' 4' ' ' PHE . . . -88.49 113.84 24.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 72.239999999999995 111.124 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.426 HG22 ' CD2' ' J' ' 20' ' ' PHE . 0.7 OUTLIER -108.25 107.77 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 74.150000000000006 111.139 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mt -128.03 109.39 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 71.409999999999997 111.115 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 33' ' ' GLY . . . . . 0.569 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -48.81 -49.73 27.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.789 -0.72 . . . . 64.140000000000001 112.465 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.776 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -153.21 150.8 29.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.82 0.343 . . . . 71.510000000000005 110.928 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -128.93 117.4 20.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 72.450000000000003 110.888 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 90.5 t -134.82 110.08 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 74.109999999999999 111.143 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 37' ' ' GLY . . . . . 0.718 ' O ' HD21 ' E' ' 17' ' ' LEU . . . 57.37 18.31 28.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 35.299999999999997 112.521 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.88 156.68 22.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.734 . . . . 44.32 112.455 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.605 HG12 ' O ' ' I' ' 39' ' ' VAL . 8.0 m -135.0 -175.26 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 74.129999999999995 111.135 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 72.239999999999995 111.143 179.909 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.835 0.35 . . . . 72.120000000000005 110.869 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.77 88.17 5.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 63.240000000000002 111.07 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -51.81 -33.25 34.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 75.319999999999993 110.907 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.543 ' CD1' ' HB2' ' F' ' 30' ' ' ALA . 2.1 t80 -168.59 124.27 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 73.400000000000006 110.867 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.0 mmm-85 -128.82 109.14 11.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 75.519999999999996 110.916 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -105.74 111.17 23.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 71.329999999999998 110.861 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -114.12 102.34 10.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 72.099999999999994 110.901 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 83.4 p -147.19 174.67 11.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 65.439999999999998 110.862 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.92 -22.65 5.58 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.7 -0.762 . . . . 50.420000000000002 112.449 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -151.29 101.95 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.841 0.353 . . . . 75.340000000000003 110.889 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.65 120.01 39.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 71.319999999999993 110.918 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.9 t -138.16 113.63 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 70.239999999999995 111.174 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -119.49 116.32 25.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 64.109999999999999 110.875 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -118.77 133.87 55.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 71.030000000000001 110.913 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.91 132.73 54.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 62.119999999999997 110.909 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.526 ' C ' HD22 ' A' ' 17' ' ' LEU . 4.5 tttp -131.74 115.23 15.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 45.240000000000002 110.891 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.677 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.5 mm? -124.71 102.23 7.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 71.239999999999995 110.881 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.711 HG12 ' HB2' ' A' ' 21' ' ' ALA . 2.1 t -108.67 111.06 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 60.030000000000001 111.123 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.452 ' HD2' HD12 ' B' ' 34' ' ' LEU . 6.9 m-85 -103.07 140.41 37.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 64.129999999999995 110.943 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.599 ' HE1' HG22 ' A' ' 31' ' ' ILE . 16.7 m-85 61.99 36.61 15.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 73.120000000000005 110.891 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.711 ' HB2' HG12 ' A' ' 18' ' ' VAL . . . -89.48 128.29 35.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 70.219999999999999 111.097 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.81 76.38 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 72.409999999999997 110.892 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.9 p -138.61 140.31 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 64.319999999999993 111.105 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.31 -46.21 94.21 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 61.329999999999998 112.511 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.07 147.58 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.382 . . . . 64.200000000000003 110.847 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.468 ' HB3' HD13 ' A' ' 31' ' ' ILE . 40.1 m-20 -100.64 104.55 15.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.498 . . . . 64.420000000000002 110.914 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -114.15 158.9 20.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 75.540000000000006 110.873 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.38 -136.19 35.87 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.757 -0.735 . . . . 71.120000000000005 112.485 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.456 ' HB2' ' CD1' ' F' ' 4' ' ' PHE . . . -91.59 113.05 25.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.722 0.296 . . . . 62.130000000000003 111.094 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.599 HG22 ' HE1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -130.01 127.76 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 75.450000000000003 111.114 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.9 mt -133.39 119.42 34.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 73.340000000000003 111.12 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.56 -56.39 8.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 64.420000000000002 112.498 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.847 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -158.44 151.67 22.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 65.310000000000002 110.939 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.4 mtp -128.72 124.89 36.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 73.239999999999995 110.871 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.932 HG11 HG11 ' F' ' 36' ' ' VAL . 26.8 t -123.01 111.99 32.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 62.420000000000002 111.148 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.61 28.48 37.73 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 33.43 112.496 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.69 -163.87 26.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 62.240000000000002 112.477 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.782 HG13 HG23 ' B' ' 39' ' ' VAL . 9.7 p -163.94 146.0 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.88 0.371 . . . . 64.230000000000004 111.103 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.595 HG12 HG22 ' B' ' 40' ' ' VAL . 28.5 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 73.319999999999993 111.151 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.812 0.339 . . . . 64.349999999999994 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.24 89.55 4.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 44.210000000000001 111.09 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -51.49 -29.79 17.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 71.209999999999994 110.847 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.588 ' CD1' ' HB2' ' G' ' 30' ' ' ALA . 2.0 t80 -166.89 124.66 1.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.540000000000006 110.845 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 mmm-85 -127.18 108.76 11.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 74.150000000000006 110.848 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -106.73 109.36 21.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 73.120000000000005 110.805 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -114.32 101.59 9.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 72.450000000000003 110.866 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 83.5 p -146.31 174.43 11.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.310000000000002 110.921 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.04 -22.24 5.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 62.210000000000001 112.471 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -151.86 101.48 2.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 72.340000000000003 110.915 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.56 120.0 38.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 73.439999999999998 110.906 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 89.1 t -136.97 113.77 12.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 64.209999999999994 111.099 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -121.39 115.39 22.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 74.540000000000006 110.847 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -119.26 135.7 54.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 63.520000000000003 110.839 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.82 132.6 54.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 74.400000000000006 110.881 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.551 ' O ' HD22 ' B' ' 17' ' ' LEU . 4.4 tttp -126.23 115.69 20.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 72.219999999999999 110.877 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.677 HD13 ' HB2' ' A' ' 17' ' ' LEU . 4.5 mm? -126.55 102.27 7.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 62.299999999999997 110.923 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.855 HG12 ' HB2' ' B' ' 21' ' ' ALA . 1.5 t -109.99 113.44 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 71.319999999999993 111.101 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.475 ' HD2' HD12 ' C' ' 34' ' ' LEU . 4.6 m-85 -107.6 136.79 46.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 72.439999999999998 110.892 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.685 ' HE1' HG22 ' B' ' 31' ' ' ILE . 19.6 m-85 61.07 36.36 18.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 62.229999999999997 110.891 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.855 ' HB2' HG12 ' B' ' 18' ' ' VAL . . . -89.51 126.47 35.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.498 . . . . 71.230000000000004 111.08 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.47 78.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 61.420000000000002 110.899 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.406 HG22 ' H ' ' B' ' 26' ' ' SER . 6.0 p -139.59 140.19 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 65.409999999999997 111.113 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.85 -45.68 94.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 64.129999999999995 112.524 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.406 ' H ' HG22 ' B' ' 24' ' ' VAL . 0.4 OUTLIER -179.91 146.3 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.929 0.395 . . . . 62.229999999999997 110.826 -179.749 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.521 ' OD1' HG21 ' B' ' 31' ' ' ILE . 59.3 m-20 -100.55 105.06 16.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 74.109999999999999 110.886 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -114.61 160.0 19.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 44.43 110.899 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.76 -134.44 35.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 43.409999999999997 112.503 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.497 ' HB2' ' CD1' ' G' ' 4' ' ' PHE . . . -91.06 112.83 24.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 62.530000000000001 111.093 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.685 HG22 ' HE1' ' B' ' 20' ' ' PHE . 0.5 OUTLIER -128.28 124.2 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 50.549999999999997 111.125 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 8.0 mt -131.74 119.27 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 63.039999999999999 111.146 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.1 -56.97 10.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.798 -0.715 . . . . 73.140000000000001 112.486 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.856 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -155.38 151.16 27.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.336 . . . . 54.210000000000001 110.922 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 7.6 mtp -129.23 122.78 30.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 71.109999999999999 110.89 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.994 HG11 HG11 ' G' ' 36' ' ' VAL . 39.0 t -122.97 111.88 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 74.230000000000004 111.143 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.15 30.0 22.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 73.150000000000006 112.507 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.43 -163.84 27.33 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 52.119999999999997 112.507 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.782 HG23 HG13 ' A' ' 39' ' ' VAL . 9.0 p -163.17 145.59 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 63.340000000000003 111.133 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.599 HG12 HG22 ' C' ' 40' ' ' VAL . 27.4 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 73.109999999999999 111.111 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.845 0.355 . . . . 74.140000000000001 110.819 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.84 88.66 5.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 50.009999999999998 111.103 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -52.82 -30.52 33.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 73.349999999999994 110.922 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 4' ' ' PHE . . . . . 0.594 ' CD1' ' HB2' ' H' ' 30' ' ' ALA . 2.0 t80 -167.99 123.79 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 74.109999999999999 110.882 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -126.72 108.59 11.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 73.450000000000003 110.863 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -106.31 109.2 21.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 74.019999999999996 110.862 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -114.83 101.47 9.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 71.109999999999999 110.893 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 83.4 p -145.48 174.63 10.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 55.200000000000003 110.909 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.16 -22.42 5.58 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 33.509999999999998 112.497 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -151.9 100.66 2.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 61.43 110.967 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.93 120.17 39.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 72.099999999999994 110.915 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 90.8 t -136.5 113.85 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 75.010000000000005 111.074 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -121.12 114.15 21.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 73.140000000000001 110.869 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -118.98 136.6 54.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 64.010000000000005 110.841 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.53 133.28 54.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 75.120000000000005 110.907 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.591 ' O ' HD22 ' C' ' 17' ' ' LEU . 4.4 tttp -123.76 115.61 21.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 74.150000000000006 110.904 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.664 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.5 mm? -127.93 102.73 6.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 71.239999999999995 110.903 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.851 HG12 ' HB2' ' C' ' 21' ' ' ALA . 1.3 t -111.97 114.46 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 55.210000000000001 111.088 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.479 ' HD2' HD12 ' D' ' 34' ' ' LEU . 2.9 m-85 -107.94 136.37 47.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 73.140000000000001 110.885 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.661 ' HE1' HG22 ' C' ' 31' ' ' ILE . 20.2 m-85 59.9 36.95 21.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 64.010000000000005 110.891 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.851 ' HB2' HG12 ' C' ' 18' ' ' VAL . . . -89.72 127.57 35.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 70.019999999999996 111.092 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.85 80.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 73.150000000000006 110.883 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 6.4 p -139.01 139.67 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 75.519999999999996 111.16 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.24 -46.34 91.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 65.219999999999999 112.494 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.69 146.1 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.913 0.387 . . . . 73.010000000000005 110.849 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.487 ' OD1' HG21 ' C' ' 31' ' ' ILE . 51.4 m-20 -100.61 104.08 15.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 74.319999999999993 110.9 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -114.54 159.91 19.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 72.400000000000006 110.922 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.69 -135.55 38.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 42.509999999999998 112.427 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.502 ' HB2' ' CD1' ' H' ' 4' ' ' PHE . . . -91.71 112.53 24.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.331 . . . . 73.030000000000001 111.087 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.661 HG22 ' HE1' ' C' ' 20' ' ' PHE . 0.4 OUTLIER -128.32 124.16 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 62.539999999999999 111.108 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.479 HG21 ' HG3' ' C' ' 35' ' ' MET . 7.6 mt -130.15 118.92 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 74.239999999999995 111.104 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.65 -57.23 9.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 62.420000000000002 112.496 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.853 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -153.89 149.9 27.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 64.230000000000004 110.921 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.479 ' HG3' HG21 ' C' ' 32' ' ' ILE . 8.2 mtp -129.14 122.52 30.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 71.129999999999995 110.825 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 1.024 HG11 HG11 ' H' ' 36' ' ' VAL . 42.0 t -124.38 112.28 31.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 63.340000000000003 111.115 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.09 30.18 16.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 72.549999999999997 112.489 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.74 -163.66 28.03 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.696 -0.764 . . . . 63.539999999999999 112.517 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.767 HG23 HG13 ' B' ' 39' ' ' VAL . 7.9 p -162.62 144.95 3.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.844 0.354 . . . . 75.299999999999997 111.176 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.599 HG22 HG12 ' B' ' 40' ' ' VAL . 28.0 m . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 73.340000000000003 111.108 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.796 0.331 . . . . 72.140000000000001 110.879 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.59 88.32 5.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 74.230000000000004 111.095 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -52.82 -32.01 41.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 72.409999999999997 110.877 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 4' ' ' PHE . . . . . 0.613 ' CD1' ' HB2' ' I' ' 30' ' ' ALA . 2.1 t80 -168.01 123.0 0.98 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 73.420000000000002 110.91 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -126.34 108.48 11.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 71.420000000000002 110.872 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -106.31 108.8 20.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 74.420000000000002 110.866 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -114.66 101.61 9.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 74.319999999999993 110.856 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 83.5 p -144.79 174.15 11.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 64.319999999999993 110.872 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.85 -22.26 5.74 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 54.340000000000003 112.483 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -152.12 99.63 2.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.358 . . . . 70.129999999999995 110.897 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -100.19 120.23 39.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 62.420000000000002 110.895 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 89.8 t -136.99 114.29 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 70.430000000000007 111.125 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -119.99 114.66 22.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 63.340000000000003 110.82 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -118.13 136.93 53.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 71.239999999999995 110.853 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.03 133.65 51.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 71.299999999999997 110.916 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.653 ' O ' HD22 ' D' ' 17' ' ' LEU . 4.2 tttp -122.75 115.47 22.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 74.439999999999998 110.944 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.653 HD22 ' O ' ' D' ' 16' ' ' LYS . 4.6 mm? -130.04 101.93 6.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 74.400000000000006 110.92 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.82 HG12 ' HB2' ' D' ' 21' ' ' ALA . 0.6 OUTLIER -112.17 117.04 54.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 63.520000000000003 111.118 179.848 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.48 ' HD2' HD12 ' E' ' 34' ' ' LEU . 2.0 m-85 -108.89 136.25 48.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 71.439999999999998 110.901 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.585 ' HE1' HG22 ' D' ' 31' ' ' ILE . 18.7 m-85 58.55 35.76 24.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 74.030000000000001 110.872 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 21' ' ' ALA . . . . . 0.82 ' HB2' HG12 ' D' ' 18' ' ' VAL . . . -90.44 127.78 36.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 75.129999999999995 111.074 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.49 79.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 72.319999999999993 110.852 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.406 HG22 ' H ' ' D' ' 26' ' ' SER . 6.0 p -138.82 139.6 40.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 62.32 111.118 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.82 -46.26 90.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 65.349999999999994 112.511 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 26' ' ' SER . . . . . 0.406 ' H ' HG22 ' D' ' 24' ' ' VAL . 0.4 OUTLIER 179.99 144.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.86 0.362 . . . . 72.129999999999995 110.89 -179.732 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.45 ' HB3' HD13 ' D' ' 31' ' ' ILE . 54.5 m-20 -99.27 103.39 15.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 75.019999999999996 110.855 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -114.58 160.2 19.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 44.109999999999999 110.89 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.88 -135.97 38.33 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.752 -0.737 . . . . 45.420000000000002 112.463 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.512 ' HB2' ' CD1' ' I' ' 4' ' ' PHE . . . -92.36 112.87 24.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.755 0.312 . . . . 52.420000000000002 111.104 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.585 HG22 ' HE1' ' D' ' 20' ' ' PHE . 0.4 OUTLIER -128.85 125.15 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 63.32 111.104 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.562 HG21 ' HG3' ' D' ' 35' ' ' MET . 7.6 mt -129.42 118.96 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 72.209999999999994 111.119 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.08 -58.48 8.64 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.73 -0.748 . . . . 44.329999999999998 112.435 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.861 HD22 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -152.1 147.49 26.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.866 0.365 . . . . 74.329999999999998 110.917 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.562 ' HG3' HG21 ' D' ' 32' ' ' ILE . 9.1 mtp -128.84 122.36 30.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 73.040000000000006 110.854 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 1.028 HG11 HG11 ' I' ' 36' ' ' VAL . 40.2 t -126.31 111.91 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 73.239999999999995 111.164 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.11 28.97 19.99 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 73.540000000000006 112.505 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.55 -163.83 29.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 51.219999999999999 112.506 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.764 HG23 HG13 ' C' ' 39' ' ' VAL . 9.1 p -162.17 145.06 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 72.25 111.102 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.575 HG22 HG12 ' C' ' 40' ' ' VAL . 28.8 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 71.140000000000001 111.179 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.851 0.358 . . . . 74.409999999999997 110.919 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.02 89.69 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 74.530000000000001 111.095 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -51.84 -30.54 24.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 73.420000000000002 110.881 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 4' ' ' PHE . . . . . 0.644 ' CD1' ' HB2' ' J' ' 30' ' ' ALA . 2.1 t80 -166.61 125.58 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 73.239999999999995 110.87 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 7.6 mmm-85 -126.14 108.38 11.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 75.400000000000006 110.862 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -106.89 109.2 21.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 65.010000000000005 110.819 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -116.38 101.41 8.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 72.299999999999997 110.852 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 83.5 p -146.2 171.53 14.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 75.430000000000007 110.83 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.99 -21.15 6.44 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 70.200000000000003 112.488 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -151.06 98.6 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 74.120000000000005 110.958 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -100.23 120.12 39.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 60.119999999999997 110.906 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 84.0 t -137.4 114.22 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 73.25 111.107 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -119.24 113.66 21.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 70.150000000000006 110.819 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -118.1 135.68 54.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 62.5 110.789 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.84 137.91 52.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 63.520000000000003 110.908 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 16' ' ' LYS . . . . . 0.674 ' O ' HD22 ' E' ' 17' ' ' LEU . 4.2 tttp -123.93 114.81 20.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 75.109999999999999 110.861 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.674 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.6 mm? -130.54 101.44 5.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 62.25 110.931 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.802 HG12 ' HB2' ' E' ' 21' ' ' ALA . 0.2 OUTLIER -110.89 120.86 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 72.219999999999999 111.135 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.463 ' HE1' HD12 ' E' ' 17' ' ' LEU . 1.7 m-85 -111.53 136.2 51.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 51.530000000000001 110.89 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.501 ' HE1' HG22 ' E' ' 31' ' ' ILE . 20.5 m-85 55.27 35.06 24.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 63.25 110.886 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 21' ' ' ALA . . . . . 0.802 ' HB2' HG12 ' E' ' 18' ' ' VAL . . . -92.01 129.77 37.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 73.430000000000007 111.098 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 57.19 81.26 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 33.43 110.832 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.427 HG22 ' H ' ' E' ' 26' ' ' SER . 5.7 p -139.54 138.43 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 62.409999999999997 111.126 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.28 -45.39 88.53 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 65.219999999999999 112.519 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 26' ' ' SER . . . . . 0.427 ' H ' HG22 ' E' ' 24' ' ' VAL . 0.4 OUTLIER -179.92 141.68 0.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.875 0.369 . . . . 71.340000000000003 110.832 -179.71 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -98.25 101.16 12.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 72.549999999999997 110.918 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -114.77 161.35 18.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 73.349999999999994 110.91 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.69 -137.53 39.16 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.693 -0.765 . . . . 75.129999999999995 112.484 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.542 ' HB2' ' CE1' ' J' ' 4' ' ' PHE . . . -92.92 113.03 25.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 63.439999999999998 111.134 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.501 HG22 ' HE1' ' E' ' 20' ' ' PHE . 0.4 OUTLIER -128.75 125.3 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 60.329999999999998 111.132 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.622 HG21 ' HG3' ' E' ' 35' ' ' MET . 7.6 mt -125.84 118.16 51.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 74.530000000000001 111.131 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 33' ' ' GLY . . . . . 0.491 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -50.7 -55.6 16.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 43.310000000000002 112.443 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.828 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -152.77 150.1 29.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.34 . . . . 75.040000000000006 110.931 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.622 ' HG3' HG21 ' E' ' 32' ' ' ILE . 10.9 mtp -132.13 120.48 22.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 72.430000000000007 110.939 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.952 HG11 HG11 ' J' ' 36' ' ' VAL . 40.6 t -129.01 110.51 20.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 62.43 111.122 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.24 31.99 20.66 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.72 -0.752 . . . . 54.240000000000002 112.519 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.59 -162.83 25.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.716 -0.754 . . . . 44.409999999999997 112.491 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.754 HG23 HG13 ' D' ' 39' ' ' VAL . 12.1 p -161.59 145.79 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 73.450000000000003 111.111 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.546 ' CG2' HG12 ' D' ' 40' ' ' VAL . 29.8 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 74.010000000000005 111.154 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.863 0.363 . . . . 73.120000000000005 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.73 88.12 4.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 52.329999999999998 111.09 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -52.21 -33.53 41.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 73.239999999999995 110.905 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 4' ' ' PHE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 1.3 t80 -168.49 123.84 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 70.349999999999994 110.866 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -128.62 109.24 11.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 72.150000000000006 110.881 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -105.09 110.8 23.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 62.539999999999999 110.859 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -112.37 102.97 11.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 63.219999999999999 110.906 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 83.2 p -146.61 174.44 11.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 44.130000000000003 110.88 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.52 -22.97 5.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 71.420000000000002 112.473 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -151.44 101.39 2.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 54.299999999999997 110.903 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -99.77 120.08 39.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.501 . . . . 61.539999999999999 110.912 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 98.7 t -138.19 113.89 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 64.019999999999996 111.139 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -119.09 116.56 26.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 74.319999999999993 110.878 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -118.71 134.64 54.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 61.350000000000001 110.838 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.07 132.44 54.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 55.200000000000003 110.905 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 16' ' ' LYS . . . . . 0.544 ' C ' HD22 ' F' ' 17' ' ' LEU . 4.4 tttp -132.32 115.05 15.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 74.219999999999999 110.917 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.679 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.5 mm? -125.22 102.21 7.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 72.030000000000001 110.932 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.675 HG12 ' HB2' ' F' ' 21' ' ' ALA . 2.1 t -108.59 111.27 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 74.239999999999995 111.081 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.44 ' HD2' HD12 ' G' ' 34' ' ' LEU . 7.0 m-85 -103.01 140.76 36.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 75.239999999999995 110.882 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 20' ' ' PHE . . . . . 0.555 ' HE1' HG22 ' F' ' 31' ' ' ILE . 16.7 m-85 61.57 37.02 16.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 74.409999999999997 110.902 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 21' ' ' ALA . . . . . 0.675 ' HB2' HG12 ' F' ' 18' ' ' VAL . . . -89.48 127.78 35.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 45.240000000000002 111.158 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.03 77.28 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 74.010000000000005 110.91 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 5.8 p -139.0 140.68 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 74.299999999999997 111.134 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.74 -46.91 93.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.735 . . . . 50.210000000000001 112.489 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.19 146.2 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.384 . . . . 71.040000000000006 110.84 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 27' ' ' ASN . . . . . 0.484 ' HB3' HD13 ' F' ' 31' ' ' ILE . 35.2 m-20 -99.35 104.14 16.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 61.119999999999997 110.878 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -113.52 159.29 19.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 72.340000000000003 110.85 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.23 -138.63 31.31 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 32.420000000000002 112.497 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.543 ' HB2' ' CD1' ' A' ' 4' ' ' PHE . . . -90.49 112.81 24.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.774 0.321 . . . . 53.229999999999997 111.052 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.555 HG22 ' HE1' ' F' ' 20' ' ' PHE . 0.2 OUTLIER -129.38 129.51 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 74.150000000000006 111.155 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 8.6 mt -134.1 119.22 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 74.439999999999998 111.158 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.66 -56.59 7.28 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.748 . . . . 71.219999999999999 112.523 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.841 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -158.44 151.62 22.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.763 0.316 . . . . 74.530000000000001 110.93 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 7.6 mtp -129.09 123.66 32.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 74.349999999999994 110.91 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.932 HG11 HG11 ' A' ' 36' ' ' VAL . 25.6 t -123.22 113.04 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 45.439999999999998 111.134 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.94 28.67 40.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 72.150000000000006 112.525 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.58 -163.47 25.25 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.764 -0.732 . . . . 52.509999999999998 112.524 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.755 HG13 HG23 ' G' ' 39' ' ' VAL . 11.9 p -164.71 146.73 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 73.439999999999998 111.13 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.581 HG12 ' CG2' ' G' ' 40' ' ' VAL . 29.7 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 73.5 111.138 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.852 0.358 . . . . 60.240000000000002 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.96 89.36 3.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 71.439999999999998 111.091 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -50.99 -30.58 15.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 45.530000000000001 110.885 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 4' ' ' PHE . . . . . 0.497 ' CD1' ' HB2' ' B' ' 30' ' ' ALA . 1.4 t80 -167.44 124.85 1.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 71.400000000000006 110.92 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 8.1 mmm-85 -127.0 108.5 10.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 75.310000000000002 110.863 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -105.97 108.95 20.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 72.239999999999995 110.823 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -113.52 101.95 9.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 54.119999999999997 110.881 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 83.4 p -146.13 174.27 11.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 62.119999999999997 110.837 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.92 -22.55 5.62 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 73.319999999999993 112.499 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -151.77 101.25 2.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.916 0.389 . . . . 74.530000000000001 110.924 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.86 119.94 38.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 72.129999999999995 110.93 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 90.7 t -136.44 113.85 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 75.439999999999998 111.127 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -120.85 114.81 22.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 65.219999999999999 110.872 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -119.18 135.82 54.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 74.329999999999998 110.874 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.83 132.56 54.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 70.019999999999996 110.92 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 16' ' ' LYS . . . . . 0.562 ' O ' HD22 ' G' ' 17' ' ' LEU . 4.5 tttp -126.67 115.68 19.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 74.329999999999998 110.86 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.679 HD13 ' HB2' ' F' ' 17' ' ' LEU . 4.5 mm? -126.64 102.29 7.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 44.539999999999999 110.909 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.849 HG12 ' HB2' ' G' ' 21' ' ' ALA . 1.5 t -109.78 113.45 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 72.109999999999999 111.096 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.475 ' CE1' HD12 ' G' ' 17' ' ' LEU . 4.6 m-85 -107.56 136.86 46.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.899 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 0.657 ' HE1' HG22 ' G' ' 31' ' ' ILE . 19.5 m-85 60.95 36.36 18.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 42.119999999999997 110.865 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 21' ' ' ALA . . . . . 0.849 ' HB2' HG12 ' G' ' 18' ' ' VAL . . . -89.5 126.77 35.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 73.340000000000003 111.071 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.39 78.79 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 72.420000000000002 110.922 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 p -139.24 140.25 38.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 64.340000000000003 111.152 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.37 -45.95 94.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 53.399999999999999 112.452 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.1 145.29 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.372 . . . . 63.439999999999998 110.867 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 27' ' ' ASN . . . . . 0.507 ' OD1' HG21 ' G' ' 31' ' ' ILE . 52.4 m-20 -100.18 104.12 15.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 74.030000000000001 110.888 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -113.82 160.79 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 73.140000000000001 110.911 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.45 -136.22 31.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 72.430000000000007 112.46 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.588 ' HB2' ' CD1' ' B' ' 4' ' ' PHE . . . -90.03 112.75 24.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.329 . . . . 63.409999999999997 111.094 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.657 HG22 ' HE1' ' G' ' 20' ' ' PHE . 0.5 OUTLIER -127.36 125.76 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 62.420000000000002 111.156 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.413 HG21 ' HG3' ' G' ' 35' ' ' MET . 9.0 mt -132.56 119.01 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 73.120000000000005 111.097 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.15 -57.18 10.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.723 -0.751 . . . . 44.32 112.482 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.854 HD22 ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -155.36 151.36 27.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.846 0.355 . . . . 64.409999999999997 110.907 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.413 ' HG3' HG21 ' G' ' 32' ' ' ILE . 7.5 mtp -129.55 122.54 29.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 74.239999999999995 110.922 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.994 HG11 HG11 ' B' ' 36' ' ' VAL . 38.4 t -123.58 112.58 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 73.209999999999994 111.168 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.1 29.3 20.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.76 . . . . 73.230000000000004 112.513 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.24 -164.04 27.54 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 64.010000000000005 112.506 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.765 HG13 HG23 ' H' ' 39' ' ' VAL . 8.5 p -163.1 145.57 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.368 . . . . 65.209999999999994 111.149 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.582 HG12 ' CG2' ' H' ' 40' ' ' VAL . 28.8 m . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 70.420000000000002 111.138 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.858 0.361 . . . . 71.209999999999994 110.863 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.71 89.35 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 71.519999999999996 111.114 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.55 -31.02 22.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 62.219999999999999 110.872 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 4' ' ' PHE . . . . . 0.502 ' CD1' ' HB2' ' C' ' 30' ' ' ALA . 1.3 t80 -168.42 124.66 1.01 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 75.129999999999995 110.871 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -127.34 108.38 10.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 64.340000000000003 110.899 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -106.04 108.65 20.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 74.430000000000007 110.825 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -113.88 101.86 9.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 72.329999999999998 110.843 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 83.4 p -145.02 174.32 11.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 55.420000000000002 110.838 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.94 -22.23 5.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 64.150000000000006 112.504 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -152.16 100.62 2.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 72.219999999999999 110.947 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.94 120.11 39.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 74.409999999999997 110.873 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 86.7 t -136.15 114.13 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 72.439999999999998 111.097 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -120.94 114.07 21.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 53.409999999999997 110.865 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -118.84 136.18 54.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 74.439999999999998 110.839 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.07 132.98 54.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 75.310000000000002 110.903 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 16' ' ' LYS . . . . . 0.6 ' O ' HD22 ' H' ' 17' ' ' LEU . 4.3 tttp -123.87 115.57 21.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 62.119999999999997 110.912 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.644 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.5 mm? -128.23 101.59 6.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 75.120000000000005 110.94 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.858 HG12 ' HB2' ' H' ' 21' ' ' ALA . 1.2 t -111.09 114.59 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 52.520000000000003 111.141 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.468 ' HD2' HD12 ' I' ' 34' ' ' LEU . 3.0 m-85 -108.22 136.32 48.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 75.109999999999999 110.906 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 20' ' ' PHE . . . . . 0.644 ' HE1' HG22 ' H' ' 31' ' ' ILE . 20.0 m-85 59.76 36.84 22.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 72.109999999999999 110.857 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 21' ' ' ALA . . . . . 0.858 ' HB2' HG12 ' H' ' 18' ' ' VAL . . . -89.54 127.73 35.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 73.200000000000003 111.106 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.63 80.28 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 72.400000000000006 110.889 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 6.4 p -138.65 139.68 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 74.319999999999993 111.152 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.59 -46.36 92.18 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.763 -0.732 . . . . 44.43 112.486 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.39 144.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 75.310000000000002 110.877 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 27' ' ' ASN . . . . . 0.437 ' OD1' HG21 ' H' ' 31' ' ' ILE . 53.5 m-20 -100.26 103.22 14.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 74.430000000000007 110.917 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -113.81 160.81 18.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 75.540000000000006 110.935 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.34 -137.07 34.54 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.725 -0.75 . . . . 44.350000000000001 112.438 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 30' ' ' ALA . . . . . 0.594 ' HB2' ' CD1' ' C' ' 4' ' ' PHE . . . -90.68 112.73 24.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.753 0.311 . . . . 51.450000000000003 111.113 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.644 HG22 ' HE1' ' H' ' 20' ' ' PHE . 0.4 OUTLIER -128.06 125.64 64.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 74.239999999999995 111.186 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' H' H ' 32' ' ' ILE . . . . . 0.464 HG21 ' HG3' ' H' ' 35' ' ' MET . 7.9 mt -130.7 118.64 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 60.439999999999998 111.12 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.6 -57.81 9.02 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.737 -0.744 . . . . 74.299999999999997 112.468 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.856 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -153.58 149.89 28.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 73.310000000000002 110.913 -179.888 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' H' H ' 35' ' ' MET . . . . . 0.464 ' HG3' HG21 ' H' ' 32' ' ' ILE . 8.3 mtp -129.08 122.02 29.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 74.109999999999999 110.872 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 1.024 HG11 HG11 ' C' ' 36' ' ' VAL . 40.1 t -123.9 111.57 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 53.340000000000003 111.159 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.33 30.29 18.11 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.716 -0.754 . . . . 54.140000000000001 112.464 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.48 -163.74 28.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.675 -0.774 . . . . 54.030000000000001 112.484 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.765 HG23 HG13 ' G' ' 39' ' ' VAL . 8.3 p -162.43 145.35 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 75.540000000000006 111.094 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' H' H ' 40' ' ' VAL . . . . . 0.582 ' CG2' HG12 ' G' ' 40' ' ' VAL . 29.4 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 73.340000000000003 111.169 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.798 0.332 . . . . 61.530000000000001 110.889 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.0 88.26 4.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 61.140000000000001 111.061 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -51.5 -31.74 24.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 73.299999999999997 110.878 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 4' ' ' PHE . . . . . 0.512 ' CD1' ' HB2' ' D' ' 30' ' ' ALA . 1.3 t80 -168.3 124.19 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 75.030000000000001 110.875 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -127.42 108.11 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 72.310000000000002 110.873 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -105.98 108.59 20.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 71.030000000000001 110.85 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -114.15 101.92 9.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 72.140000000000001 110.859 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 83.7 p -144.34 173.93 11.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 43.32 110.851 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.72 -22.24 5.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.706 -0.759 . . . . 70.040000000000006 112.483 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -152.1 99.24 2.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.85 0.357 . . . . 72.519999999999996 110.908 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.72 120.28 39.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 54.32 110.867 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 86.3 t -137.19 114.29 12.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 63.25 111.107 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -119.9 114.61 22.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 61.399999999999999 110.844 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -117.81 136.81 53.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 62.509999999999998 110.903 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.8 133.37 52.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 75.099999999999994 110.904 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 16' ' ' LYS . . . . . 0.669 ' O ' HD22 ' I' ' 17' ' ' LEU . 4.2 tttp -122.67 115.41 22.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 62.509999999999998 110.899 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.669 HD22 ' O ' ' I' ' 16' ' ' LYS . 4.6 mm? -130.34 101.02 5.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 70.510000000000005 110.896 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 18' ' ' VAL . . . . . 0.84 HG12 ' HB2' ' I' ' 21' ' ' ALA . 0.7 OUTLIER -111.89 117.23 54.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 73.150000000000006 111.14 179.825 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' I' I ' 19' ' ' PHE . . . . . 0.462 ' HD2' HD12 ' J' ' 34' ' ' LEU . 2.0 m-85 -109.23 136.54 48.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 75.519999999999996 110.885 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 20' ' ' PHE . . . . . 0.565 ' HE1' HG22 ' I' ' 31' ' ' ILE . 18.6 m-85 58.46 35.68 24.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 74.519999999999996 110.891 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 21' ' ' ALA . . . . . 0.84 ' HB2' HG12 ' I' ' 18' ' ' VAL . . . -90.21 127.47 36.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 65.439999999999998 111.085 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.54 81.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 72.230000000000004 110.838 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 p -138.83 139.23 41.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 40.32 111.161 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.23 -45.72 92.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.716 -0.754 . . . . 64.209999999999994 112.443 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.4 143.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.383 . . . . 61.32 110.866 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 27' ' ' ASN . . . . . 0.414 ' HB3' HD13 ' I' ' 31' ' ' ILE . 55.2 m-20 -100.07 101.43 12.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 74.420000000000002 110.866 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -114.02 161.19 18.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 75.420000000000002 110.921 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.49 -138.07 37.45 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.729 -0.748 . . . . 54.530000000000001 112.512 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.613 ' HB2' ' CD1' ' D' ' 4' ' ' PHE . . . -91.3 112.89 24.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.733 0.302 . . . . 74.200000000000003 111.126 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.565 HG22 ' HE1' ' I' ' 20' ' ' PHE . 0.4 OUTLIER -128.94 126.44 64.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 74.540000000000006 111.145 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' I' I ' 32' ' ' ILE . . . . . 0.539 HG21 ' HG3' ' I' ' 35' ' ' MET . 7.6 mt -129.71 119.06 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 72.239999999999995 111.089 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.03 -59.12 7.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 72.329999999999998 112.525 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.863 HD22 ' O ' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -151.91 147.61 26.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.77 0.319 . . . . 75.200000000000003 110.962 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' I' I ' 35' ' ' MET . . . . . 0.539 ' HG3' HG21 ' I' ' 32' ' ' ILE . 9.1 mtp -129.05 122.05 29.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 74.329999999999998 110.917 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 1.028 HG11 HG11 ' D' ' 36' ' ' VAL . 39.6 t -126.13 111.37 26.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.437 . . . . 63.109999999999999 111.131 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.33 29.52 23.03 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 63.340000000000003 112.499 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.83 -163.46 28.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.73 . . . . 52.219999999999999 112.53 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 0.763 HG13 HG23 ' J' ' 39' ' ' VAL . 10.5 p -162.15 145.42 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.362 . . . . 54.520000000000003 111.143 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' I' I ' 40' ' ' VAL . . . . . 0.569 HG22 HG12 ' H' ' 40' ' ' VAL . 29.0 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 71.030000000000001 111.129 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.819 0.342 . . . . 63.009999999999998 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.07 88.94 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 64.049999999999997 111.098 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -51.53 -32.51 28.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 64.239999999999995 110.887 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 4' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' E' ' 30' ' ' ALA . 1.1 t80 -168.03 125.12 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 64.349999999999994 110.819 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -127.88 108.5 10.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 72.329999999999998 110.854 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -106.87 108.75 20.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 73.140000000000001 110.858 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -115.03 102.07 9.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 72.019999999999996 110.916 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 83.7 p -145.32 170.76 15.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 71.109999999999999 110.888 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.12 -21.35 6.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.76 . . . . 75.120000000000005 112.51 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -151.36 97.64 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 62.409999999999997 110.918 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -99.98 119.96 39.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.506 . . . . 65.540000000000006 110.853 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 87.2 t -137.65 114.29 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 75.239999999999995 111.121 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -118.79 113.71 21.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 64.239999999999995 110.848 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -117.99 135.35 54.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 63.140000000000001 110.844 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.51 138.13 52.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 74.510000000000005 110.883 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 16' ' ' LYS . . . . . 0.681 ' O ' HD22 ' J' ' 17' ' ' LEU . 4.2 tttp -124.02 114.84 20.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 61.32 110.916 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.681 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.6 mm? -130.37 100.9 5.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 74.510000000000005 110.904 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.758 HG12 ' HB2' ' J' ' 21' ' ' ALA . 0.2 OUTLIER -110.79 121.17 63.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 61.229999999999997 111.121 179.836 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.442 ' HE1' HD12 ' J' ' 17' ' ' LEU . 1.6 m-85 -111.94 136.03 51.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 73.219999999999999 110.905 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 20' ' ' PHE . . . . . 0.478 ' HE1' HG22 ' J' ' 31' ' ' ILE . 20.3 m-85 55.57 35.23 24.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 73.209999999999994 110.89 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 21' ' ' ALA . . . . . 0.758 ' HB2' HG12 ' J' ' 18' ' ' VAL . . . -92.02 129.99 37.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 74.310000000000002 111.072 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 57.21 81.76 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 73.340000000000003 110.842 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.434 HG22 ' H ' ' J' ' 26' ' ' SER . 5.6 p -139.03 137.63 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 62.439999999999998 111.143 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.89 -44.45 92.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.791 -0.718 . . . . 71.049999999999997 112.486 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 26' ' ' SER . . . . . 0.434 ' H ' HG22 ' J' ' 24' ' ' VAL . 0.4 OUTLIER -179.2 139.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 72.030000000000001 110.885 -179.753 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -98.94 99.36 10.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 70.430000000000007 110.901 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -114.86 163.54 15.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 74.409999999999997 110.861 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.22 -140.02 36.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.786 -0.721 . . . . 72.319999999999993 112.435 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 0.644 ' HB2' ' CD1' ' E' ' 4' ' ' PHE . . . -91.73 112.81 24.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.748 0.309 . . . . 73.030000000000001 111.08 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.478 HG22 ' HE1' ' J' ' 20' ' ' PHE . 0.4 OUTLIER -128.63 127.21 66.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 73.049999999999997 111.114 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' J' J ' 32' ' ' ILE . . . . . 0.625 HG21 ' HG3' ' J' ' 35' ' ' MET . 7.9 mt -126.87 117.87 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.099999999999994 111.153 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 33' ' ' GLY . . . . . 0.48 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -50.48 -56.71 12.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 63.210000000000001 112.452 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.828 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -152.36 149.68 28.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.839 0.352 . . . . 62.399999999999999 110.886 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' J' J ' 35' ' ' MET . . . . . 0.625 ' HG3' HG21 ' J' ' 32' ' ' ILE . 10.6 mtp -132.55 120.37 21.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 73.310000000000002 110.839 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.952 HG11 HG11 ' E' ' 36' ' ' VAL . 35.2 t -129.35 110.38 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 74.200000000000003 111.175 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.23 31.21 26.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 65.439999999999998 112.502 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.52 -162.9 25.28 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.719 -0.753 . . . . 73.420000000000002 112.474 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.763 HG23 HG13 ' I' ' 39' ' ' VAL . 13.9 p -161.54 147.08 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 60.350000000000001 111.168 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.449 HG22 HG12 ' I' ' 40' ' ' VAL . 29.1 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 72.439999999999998 111.114 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.782 0.325 . . . . 72.150000000000006 110.866 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.24 82.89 2.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 75.519999999999996 111.116 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -53.14 -48.17 68.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 64.530000000000001 110.924 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -147.9 115.45 6.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 71.109999999999999 110.883 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -133.33 109.01 9.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 70.450000000000003 110.872 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -104.61 109.96 22.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 72.420000000000002 110.825 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -111.13 102.24 10.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 74.230000000000004 110.9 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 t -148.91 174.53 12.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 74.310000000000002 110.821 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.42 -7.4 30.27 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.702 -0.761 . . . . 74.230000000000004 112.496 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' TYR . . . . . 0.434 ' HD1' HG23 ' A' ' 12' ' ' VAL . 1.3 t80 -171.54 112.1 0.33 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.807 0.337 . . . . 73.439999999999998 110.929 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -104.84 119.66 39.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 64.519999999999996 110.872 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.434 HG23 ' HD1' ' A' ' 10' ' ' TYR . 62.0 t -133.36 113.57 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 61.310000000000002 111.123 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.1 m170 -120.24 113.76 20.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 64.319999999999993 110.846 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -124.75 133.14 53.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 63.310000000000002 110.852 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.05 132.98 55.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 74.140000000000001 110.944 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.566 ' C ' HD22 ' A' ' 17' ' ' LEU . 5.3 tttp -130.04 115.91 17.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 70.510000000000005 110.899 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.729 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.5 mm? -126.71 101.05 6.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 63.009999999999998 110.938 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.1 t -108.88 114.54 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 74.25 111.146 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.64 ' CZ ' HD12 ' A' ' 17' ' ' LEU . 8.5 m-85 -117.75 109.87 17.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 73.329999999999998 110.869 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 60.38 78.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 72.200000000000003 110.938 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.52 118.55 32.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 74.450000000000003 111.141 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 64.09 107.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 74.310000000000002 110.892 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.736 HG11 ' OD1' ' A' ' 27' ' ' ASN . 92.9 t -124.38 126.19 71.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 63.149999999999999 111.12 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.22 -51.85 56.3 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 54.420000000000002 112.493 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -149.61 121.42 8.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 73.439999999999998 110.871 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.736 ' OD1' HG11 ' A' ' 24' ' ' VAL . 16.6 m-20 -94.94 101.82 13.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 74.049999999999997 110.853 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' LYS . . . . . 0.597 ' O ' HD11 ' A' ' 31' ' ' ILE . 4.0 tptp -115.88 133.97 55.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 73.25 110.875 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.2 -143.18 28.23 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 61.200000000000003 112.505 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.613 ' C ' HD13 ' A' ' 31' ' ' ILE . . . -84.11 115.28 22.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.758 0.313 . . . . 74.109999999999999 111.128 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.625 HG21 ' OD1' ' A' ' 27' ' ' ASN . 2.7 mm -120.56 110.54 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 71.5 111.103 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.8 mt -130.05 118.85 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 73.450000000000003 111.136 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.11 -44.39 42.4 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.776 -0.726 . . . . 43.409999999999997 112.509 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 1.041 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -171.95 151.81 2.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.784 0.326 . . . . 73.200000000000003 110.895 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.886 ' N ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -114.34 119.86 38.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 74.430000000000007 110.91 179.787 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 36' ' ' VAL . 4.2 p -136.31 117.76 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 71.120000000000005 111.138 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.53 15.8 47.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 40.210000000000001 112.477 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.72 -168.17 15.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.729 . . . . 73.219999999999999 112.536 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.652 ' O ' HG23 ' B' ' 39' ' ' VAL . 4.0 p -168.86 130.83 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.887 0.375 . . . . 74.109999999999999 111.152 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.678 ' HA ' HG22 ' B' ' 40' ' ' VAL . 36.0 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 65.310000000000002 111.141 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.849 0.357 . . . . 73.040000000000006 110.88 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.72 82.51 2.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 54.119999999999997 111.131 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -52.79 -47.42 67.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 73.409999999999997 110.853 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.24 115.1 6.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 71.239999999999995 110.884 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -131.27 109.03 10.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 74.049999999999997 110.917 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 36.0 t-80 -103.75 109.1 20.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 72.420000000000002 110.891 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -111.6 102.05 10.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 72.129999999999995 110.831 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 7.0 t -148.35 174.52 11.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 75.129999999999995 110.851 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.31 -8.49 30.98 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.788 -0.72 . . . . 50.200000000000003 112.489 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.409 ' HD1' HG23 ' B' ' 12' ' ' VAL . 1.5 t80 -172.39 112.35 0.27 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 72.019999999999996 110.927 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -104.32 119.65 39.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 64.450000000000003 110.894 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.409 HG23 ' HD1' ' B' ' 10' ' ' TYR . 61.2 t -130.57 113.66 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 53.219999999999999 111.148 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -120.83 113.94 20.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 71.120000000000005 110.894 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -125.89 134.15 51.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 72.209999999999994 110.846 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.88 133.03 55.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 75.519999999999996 110.921 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.627 ' C ' HD22 ' B' ' 17' ' ' LEU . 5.4 tttp -125.54 117.16 22.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 61.350000000000001 110.886 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.799 ' HB2' HD13 ' C' ' 17' ' ' LEU . 4.4 mm? -126.63 102.06 6.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 74.420000000000002 110.935 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 89.3 t -108.63 112.95 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 64.219999999999999 111.115 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.621 ' CZ ' HD12 ' B' ' 17' ' ' LEU . 6.9 m-85 -118.25 105.97 12.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 72.230000000000004 110.858 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.569 ' CZ ' HG22 ' A' ' 31' ' ' ILE . 3.9 m-30 60.12 80.65 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 74.209999999999994 110.89 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.67 116.92 29.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 65.109999999999999 111.092 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 64.4 108.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 60.119999999999997 110.87 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.72 HG11 ' OD1' ' B' ' 27' ' ' ASN . 87.8 t -125.19 125.58 69.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 63.119999999999997 111.167 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.55 -51.26 58.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 64.349999999999994 112.487 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -148.93 122.72 9.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.91 0.385 . . . . 51.340000000000003 110.845 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.72 ' OD1' HG11 ' B' ' 24' ' ' VAL . 14.8 m-20 -94.79 100.68 12.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 75.25 110.879 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' LYS . . . . . 0.563 ' O ' HD11 ' B' ' 31' ' ' ILE . 4.4 tptp -117.94 135.76 53.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 72.030000000000001 110.859 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.05 -142.15 27.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.778 -0.725 . . . . 70.109999999999999 112.484 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.582 ' C ' HD13 ' B' ' 31' ' ' ILE . . . -83.67 114.48 21.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.742 0.306 . . . . 34.200000000000003 111.131 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.626 HG21 ' OD1' ' B' ' 27' ' ' ASN . 2.8 mm -119.08 107.67 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 74.349999999999994 111.187 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 32.4 mt -127.9 119.7 52.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 64.340000000000003 111.107 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.52 -43.84 53.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 41.020000000000003 112.512 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 1.008 HD13 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -171.85 150.28 2.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.845 0.355 . . . . 74.040000000000006 110.892 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.85 ' N ' HD22 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -114.06 116.16 28.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 74.019999999999996 110.894 179.798 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.45 HG13 ' HA ' ' C' ' 36' ' ' VAL . 4.0 p -136.57 117.8 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 53.439999999999998 111.112 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.06 17.0 43.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 62.399999999999999 112.525 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.24 -170.03 16.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.715 -0.755 . . . . 64.120000000000005 112.491 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.694 ' O ' HG23 ' C' ' 39' ' ' VAL . 3.8 p -169.14 131.17 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.892 0.377 . . . . 71.129999999999995 111.103 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.704 ' HA ' HG22 ' C' ' 40' ' ' VAL . 30.1 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 73.420000000000002 111.137 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.837 0.351 . . . . 64.310000000000002 110.855 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.01 82.06 2.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 63.539999999999999 111.088 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -53.1 -46.75 68.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 73.129999999999995 110.857 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.58 114.73 6.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 72.319999999999993 110.912 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -131.73 109.03 9.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 73.140000000000001 110.875 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 40.5 t-80 -103.89 108.9 20.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 64.019999999999996 110.816 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -111.96 102.05 10.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 64.010000000000005 110.837 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 6.9 t -146.91 174.35 11.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 72.530000000000001 110.897 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.65 -8.99 31.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.718 -0.754 . . . . 63.210000000000001 112.496 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.61 112.53 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 75.439999999999998 110.895 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 11' ' ' GLU . . . . . 0.437 ' HG3' ' CE1' ' C' ' 13' ' ' HIS . 22.0 tt0 -104.84 119.83 39.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 75.129999999999995 110.858 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 55.4 t -129.98 113.53 26.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 63.439999999999998 111.113 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 13' ' ' HIS . . . . . 0.437 ' CE1' ' HG3' ' C' ' 11' ' ' GLU . 5.9 m-70 -120.46 113.39 20.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 72.120000000000005 110.846 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -125.63 134.01 52.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 45.43 110.844 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.83 133.59 54.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 73.200000000000003 110.887 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.618 ' C ' HD22 ' C' ' 17' ' ' LEU . 5.5 tttp -123.51 116.63 23.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 70.420000000000002 110.941 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.799 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.4 mm? -126.94 101.1 6.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 64.310000000000002 110.909 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 86.9 t -108.89 112.44 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 74.140000000000001 111.139 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.632 ' CZ ' HD12 ' C' ' 17' ' ' LEU . 5.7 m-85 -116.68 106.3 13.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 73.329999999999998 110.907 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.608 ' CZ ' HG22 ' B' ' 31' ' ' ILE . 4.0 m-30 59.82 81.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.109999999999999 110.865 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.04 115.77 28.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 51.32 111.111 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.29 108.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 64.219999999999999 110.881 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.717 HG11 ' OD1' ' C' ' 27' ' ' ASN . 94.3 t -125.02 125.4 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 71.109999999999999 111.11 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.73 -50.57 62.87 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.776 -0.726 . . . . 74.230000000000004 112.495 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -149.2 122.7 9.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.886 0.374 . . . . 71.030000000000001 110.867 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.717 ' OD1' HG11 ' C' ' 24' ' ' VAL . 15.0 m-20 -94.39 100.49 12.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 62.140000000000001 110.91 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 28' ' ' LYS . . . . . 0.528 ' O ' HD11 ' C' ' 31' ' ' ILE . 4.6 tptp -119.23 136.76 54.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 74.209999999999994 110.869 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.32 -142.01 26.61 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.766 -0.731 . . . . 55.109999999999999 112.505 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.556 ' C ' HD13 ' C' ' 31' ' ' ILE . . . -82.95 113.74 20.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.795 0.331 . . . . 71.129999999999995 111.082 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.609 HG22 ' CZ ' ' D' ' 20' ' ' PHE . 3.0 mm -118.06 106.98 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 62.420000000000002 111.194 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 25.7 mt -127.64 119.74 52.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 74.140000000000001 111.128 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.85 -44.72 55.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 34.43 112.485 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.946 HD13 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -170.76 149.17 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.853 0.358 . . . . 72.400000000000006 110.899 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.801 ' N ' HD22 ' C' ' 34' ' ' LEU . 0.0 OUTLIER -115.17 114.1 24.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 72.400000000000006 110.895 179.851 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.589 HG12 HD21 ' C' ' 34' ' ' LEU . 4.6 p -135.64 117.32 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 74.439999999999998 111.119 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.76 17.7 43.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 54.409999999999997 112.468 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.08 -170.57 17.06 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 50.130000000000003 112.483 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.694 HG23 ' O ' ' B' ' 39' ' ' VAL . 3.4 p -169.58 131.06 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.856 0.36 . . . . 62.219999999999999 111.113 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.704 HG22 ' HA ' ' B' ' 40' ' ' VAL . 27.3 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 73.540000000000006 111.159 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.875 0.369 . . . . 74.549999999999997 110.855 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.86 81.73 2.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 75.340000000000003 111.143 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.63 -45.21 66.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 53.530000000000001 110.865 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.11 114.84 6.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 72.450000000000003 110.865 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -131.62 109.09 9.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 75.310000000000002 110.852 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -104.28 108.71 20.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 75.340000000000003 110.839 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -112.55 102.22 10.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 74.549999999999997 110.906 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t -146.24 173.66 12.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 75.340000000000003 110.848 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.81 -8.66 31.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.755 -0.735 . . . . 72.230000000000004 112.488 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.3 111.26 0.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.851 0.358 . . . . 73.439999999999998 110.951 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -104.61 119.85 39.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 74.099999999999994 110.87 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 56.3 t -130.43 113.3 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 60.5 111.134 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -120.88 113.04 19.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 73.129999999999995 110.881 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -126.36 132.82 51.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 75.439999999999998 110.876 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.95 135.0 54.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 75.349999999999994 110.927 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.603 ' C ' HD22 ' D' ' 17' ' ' LEU . 5.4 tttp -122.39 117.29 25.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 42.039999999999999 110.9 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.719 HD13 ' HB2' ' C' ' 17' ' ' LEU . 4.6 mm? -127.99 100.71 6.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 70.019999999999996 110.913 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 87.8 t -108.59 113.58 44.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 73.0 111.117 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.616 ' CZ ' HD12 ' D' ' 17' ' ' LEU . 5.2 m-85 -115.52 106.94 14.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 64.040000000000006 110.882 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.609 ' CZ ' HG22 ' C' ' 31' ' ' ILE . 4.0 m-30 59.69 81.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 74.010000000000005 110.852 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.11 115.45 27.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 72.510000000000005 111.08 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.42 108.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 74.200000000000003 110.867 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.699 HG11 ' OD1' ' D' ' 27' ' ' ASN . 92.5 t -125.28 124.43 67.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 53.439999999999998 111.105 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.38 -50.35 63.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.694 -0.765 . . . . 50.039999999999999 112.528 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -149.71 123.12 9.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 50.240000000000002 110.875 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.699 ' OD1' HG11 ' D' ' 24' ' ' VAL . 14.0 m-20 -93.67 100.0 12.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 53.450000000000003 110.91 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 28' ' ' LYS . . . . . 0.487 ' O ' HD11 ' D' ' 31' ' ' ILE . 4.3 tptp -120.1 138.2 53.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 74.450000000000003 110.939 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.62 -141.31 25.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.747 . . . . 43.229999999999997 112.469 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.505 ' HA ' ' HB3' ' E' ' 30' ' ' ALA . . . -82.79 113.34 20.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.753 0.311 . . . . 63.119999999999997 111.117 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.615 HG22 ' CZ ' ' E' ' 20' ' ' PHE . 4.9 mm -117.19 107.62 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 73.310000000000002 111.148 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 25.6 mt -127.84 118.17 48.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 61.140000000000001 111.152 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.09 -45.29 51.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.74 . . . . 61.399999999999999 112.488 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.887 HD13 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -170.83 146.26 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 75.140000000000001 110.921 -179.846 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.722 ' N ' HD22 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -116.36 113.83 23.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 72.530000000000001 110.873 179.816 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.745 HG12 HD21 ' D' ' 34' ' ' LEU . 3.4 p -135.24 115.64 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 73.340000000000003 111.161 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.61 18.15 43.84 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.784 -0.722 . . . . 72.310000000000002 112.504 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.33 -169.54 18.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.788 -0.72 . . . . 75.409999999999997 112.543 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.686 HG23 ' O ' ' C' ' 39' ' ' VAL . 3.4 p -168.87 131.03 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 74.430000000000007 111.121 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.697 HG22 ' HA ' ' C' ' 40' ' ' VAL . 32.9 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 72.349999999999994 111.155 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.836 0.35 . . . . 73.540000000000006 110.842 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.16 82.67 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 62.039999999999999 111.075 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -51.67 -45.75 63.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 73.310000000000002 110.861 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -146.21 115.75 7.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 74.400000000000006 110.871 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -128.95 109.1 10.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 74.409999999999997 110.876 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -103.83 108.74 20.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 72.450000000000003 110.887 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -113.03 102.18 10.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 72.540000000000006 110.839 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 7.0 t -147.32 171.13 15.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 53.310000000000002 110.867 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.09 -8.19 34.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 75.400000000000006 112.517 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -171.85 109.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 73.310000000000002 110.932 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -105.46 120.13 40.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 74.239999999999995 110.843 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 55.4 t -130.16 113.64 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 62.039999999999999 111.137 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -120.45 112.86 19.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 62.43 110.816 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -127.1 134.09 50.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 70.150000000000006 110.833 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.42 139.0 54.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 64.510000000000005 110.931 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 16' ' ' LYS . . . . . 0.539 ' C ' HD22 ' E' ' 17' ' ' LEU . 5.5 tttp -122.39 115.72 22.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 65.5 110.902 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.573 HD13 ' HB2' ' D' ' 17' ' ' LEU . 4.5 mm? -127.61 101.87 6.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 70.310000000000002 110.921 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 86.3 t -108.3 114.43 46.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 62.130000000000003 111.117 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.511 ' CE1' HD12 ' E' ' 17' ' ' LEU . 5.5 m-85 -114.36 105.63 13.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 71.319999999999993 110.882 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.615 ' CZ ' HG22 ' D' ' 31' ' ' ILE . 4.3 m-30 59.02 81.87 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 74.049999999999997 110.856 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.07 113.95 25.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 41.409999999999997 111.101 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 63.93 108.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 75.040000000000006 110.887 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.71 HG11 ' OD1' ' E' ' 27' ' ' ASN . 92.5 t -124.65 122.33 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 53.420000000000002 111.096 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.87 -49.63 66.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 73.430000000000007 112.502 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -151.8 121.55 7.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 41.329999999999998 110.85 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.71 ' OD1' HG11 ' E' ' 24' ' ' VAL . 12.1 m-20 -91.37 99.7 12.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 62.130000000000003 110.902 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -121.96 138.98 54.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 72.239999999999995 110.904 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.91 -139.18 21.07 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.745 -0.741 . . . . 72.239999999999995 112.445 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.505 ' HB3' ' HA ' ' D' ' 30' ' ' ALA . . . -83.34 114.44 21.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 72.340000000000003 111.093 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.442 HG21 ' ND2' ' E' ' 27' ' ' ASN . 10.7 mm -114.73 107.76 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 74.040000000000006 111.127 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 31.7 mt -125.58 114.94 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 75.400000000000006 111.102 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.52 -40.21 77.14 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 52.210000000000001 112.515 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.828 ' C ' HD22 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -171.47 149.47 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.825 0.345 . . . . 71.25 110.92 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.62 ' N ' HD22 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -125.41 115.08 19.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 53.240000000000002 110.888 179.832 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.662 HG12 HD21 ' E' ' 34' ' ' LEU . 4.4 p -141.26 114.39 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 75.340000000000003 111.161 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.74 18.91 33.72 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 71.420000000000002 112.506 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.98 -168.71 18.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 73.109999999999999 112.475 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.618 HG23 ' O ' ' D' ' 39' ' ' VAL . 3.2 p -169.06 131.95 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.879 0.371 . . . . 73.019999999999996 111.097 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.48 HG13 ' CE ' ' E' ' 35' ' ' MET . 34.5 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 72.310000000000002 111.093 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.825 0.345 . . . . 71.519999999999996 110.866 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.58 81.62 2.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 42.32 111.065 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -52.74 -47.79 67.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 74.209999999999994 110.859 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.99 115.53 6.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 74.239999999999995 110.838 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -133.02 109.26 9.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 73.340000000000003 110.876 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -104.44 110.03 22.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 75.430000000000007 110.871 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -110.71 102.48 11.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 74.439999999999998 110.809 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 6.6 t -148.76 174.14 12.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 71.219999999999999 110.868 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.38 -7.66 29.99 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 62.310000000000002 112.469 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 10' ' ' TYR . . . . . 0.439 ' HD1' HG23 ' F' ' 12' ' ' VAL . 1.4 t80 -171.56 112.45 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.815 0.34 . . . . 74.219999999999999 110.912 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -104.05 119.53 39.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 75.219999999999999 110.917 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.439 HG23 ' HD1' ' F' ' 10' ' ' TYR . 58.6 t -132.42 113.39 21.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 72.040000000000006 111.105 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 42.7 m170 -120.88 114.63 21.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 55.409999999999997 110.837 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -125.95 132.98 51.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 75.299999999999997 110.855 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.97 132.91 55.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 71.299999999999997 110.891 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 16' ' ' LYS . . . . . 0.565 ' C ' HD22 ' F' ' 17' ' ' LEU . 5.3 tttp -130.46 115.94 17.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 61.310000000000002 110.932 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.708 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.5 mm? -126.71 101.0 6.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 75.239999999999995 110.898 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.421 ' CG1' ' HB2' ' F' ' 21' ' ' ALA . 91.8 t -108.99 114.74 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 61.340000000000003 111.132 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.628 ' CZ ' HD12 ' F' ' 17' ' ' LEU . 8.6 m-85 -117.66 109.29 16.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 73.129999999999995 110.918 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 60.87 78.25 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 75.310000000000002 110.895 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 21' ' ' ALA . . . . . 0.421 ' HB2' ' CG1' ' F' ' 18' ' ' VAL . . . -95.28 119.32 33.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 64.5 111.117 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 64.07 107.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 73.099999999999994 110.895 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.743 HG11 ' OD1' ' F' ' 27' ' ' ASN . 99.6 t -125.0 125.47 69.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 53.229999999999997 111.135 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.9 -52.15 54.62 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 71.310000000000002 112.475 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -149.29 121.09 8.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.932 0.396 . . . . 71.349999999999994 110.87 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 27' ' ' ASN . . . . . 0.743 ' OD1' HG11 ' F' ' 24' ' ' VAL . 16.1 m-20 -94.54 100.68 12.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 75.200000000000003 110.897 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 28' ' ' LYS . . . . . 0.611 ' O ' HD11 ' F' ' 31' ' ' ILE . 5.4 tptp -114.69 134.55 54.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 70.120000000000005 110.92 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.08 -144.89 30.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 72.310000000000002 112.446 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.594 ' C ' HD13 ' F' ' 31' ' ' ILE . . . -83.54 114.73 21.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.732 0.301 . . . . 61.520000000000003 111.071 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.613 HG21 ' OD1' ' F' ' 27' ' ' ASN . 2.7 mm -119.55 112.21 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 73.239999999999995 111.108 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 38.1 mt -130.32 118.41 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.140000000000001 111.159 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.94 -44.81 41.22 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 55.439999999999998 112.469 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 1.022 HD13 ' O ' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -172.05 151.74 2.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.821 0.343 . . . . 73.230000000000004 110.962 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' F' F ' 35' ' ' MET . . . . . 0.87 ' N ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -114.46 119.68 37.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 64.409999999999997 110.881 179.888 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.425 ' O ' HG13 ' F' ' 36' ' ' VAL . 4.0 p -135.59 117.11 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.427 . . . . 73.450000000000003 111.147 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.27 16.34 48.66 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 61.409999999999997 112.528 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.92 -171.23 16.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 53.140000000000001 112.51 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.7 ' O ' HG23 ' G' ' 39' ' ' VAL . 4.0 p -169.38 130.48 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 61.340000000000003 111.164 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.738 ' HA ' HG22 ' G' ' 40' ' ' VAL . 33.7 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 73.010000000000005 111.121 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.779 0.323 . . . . 63.299999999999997 110.887 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.43 82.03 2.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 65.200000000000003 111.091 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -52.31 -47.87 65.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 71.019999999999996 110.875 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.69 115.38 6.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 73.299999999999997 110.87 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -131.43 109.66 10.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 72.209999999999994 110.89 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 34.6 t-80 -104.43 109.21 20.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 74.510000000000005 110.816 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -111.25 102.32 10.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 72.209999999999994 110.859 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t -148.29 174.32 12.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 64.409999999999997 110.859 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.38 -8.56 30.74 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 61.140000000000001 112.474 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 10' ' ' TYR . . . . . 0.416 ' HD1' HG23 ' G' ' 12' ' ' VAL . 1.5 t80 -172.25 112.92 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.86 0.362 . . . . 72.239999999999995 110.942 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -104.07 119.52 39.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 74.439999999999998 110.886 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 12' ' ' VAL . . . . . 0.416 HG23 ' HD1' ' G' ' 10' ' ' TYR . 60.2 t -129.74 113.53 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 70.239999999999995 111.13 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 39.5 m170 -121.32 114.59 21.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 70.439999999999998 110.889 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -127.2 133.56 50.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 72.019999999999996 110.834 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.36 132.87 55.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 65.219999999999999 110.907 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 16' ' ' LYS . . . . . 0.622 ' C ' HD22 ' G' ' 17' ' ' LEU . 5.5 tttp -125.7 117.15 22.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 73.230000000000004 110.86 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.773 ' HB2' HD13 ' H' ' 17' ' ' LEU . 4.4 mm? -126.5 101.55 6.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 75.219999999999999 110.962 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 89.2 t -108.05 113.16 43.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 71.430000000000007 111.144 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.618 ' CZ ' HD12 ' G' ' 17' ' ' LEU . 7.1 m-85 -118.28 106.36 12.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 74.140000000000001 110.864 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 0.554 ' CZ ' HG22 ' F' ' 31' ' ' ILE . 3.9 m-30 60.06 80.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 74.519999999999996 110.84 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.59 117.58 31.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 64.340000000000003 111.138 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.37 107.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 75.120000000000005 110.929 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.734 HG11 ' OD1' ' G' ' 27' ' ' ASN . 90.6 t -125.32 124.97 68.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 31.300000000000001 111.134 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.38 -51.7 56.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 75.219999999999999 112.511 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 3.4 p -148.64 121.73 8.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 74.409999999999997 110.837 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 27' ' ' ASN . . . . . 0.734 ' OD1' HG11 ' G' ' 24' ' ' VAL . 14.4 m-20 -94.01 99.74 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 35.229999999999997 110.88 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 28' ' ' LYS . . . . . 0.551 ' O ' HD11 ' G' ' 31' ' ' ILE . 5.0 tptp -116.8 136.56 52.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 73.129999999999995 110.883 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.77 -143.8 29.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 72.209999999999994 112.523 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.564 ' C ' HD13 ' G' ' 31' ' ' ILE . . . -82.9 114.25 21.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.76 0.314 . . . . 72.310000000000002 111.099 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.589 HG22 ' CZ ' ' H' ' 20' ' ' PHE . 2.8 mm -118.08 109.55 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 72.439999999999998 111.11 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 35.2 mt -128.42 119.17 49.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 75.519999999999996 111.09 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.8 -44.35 55.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.714 -0.755 . . . . 54.530000000000001 112.482 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 1.02 ' O ' HD13 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -171.56 149.9 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 60.509999999999998 110.895 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.859 ' N ' HD22 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -114.1 115.99 28.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 64.420000000000002 110.861 179.822 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.439 HG13 ' HA ' ' H' ' 36' ' ' VAL . 3.8 p -135.71 116.65 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 72.549999999999997 111.132 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.85 18.14 45.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 62.210000000000001 112.496 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.49 -171.08 16.96 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.793 -0.718 . . . . 53.229999999999997 112.508 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.7 HG23 ' O ' ' F' ' 39' ' ' VAL . 3.4 p -169.27 130.35 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 73.329999999999998 111.109 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.738 HG22 ' HA ' ' F' ' 40' ' ' VAL . 27.0 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 72.430000000000007 111.127 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.805 0.336 . . . . 63.32 110.878 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.02 81.64 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 61.049999999999997 111.111 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -52.49 -46.98 66.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 74.450000000000003 110.892 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.54 115.23 6.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 73.319999999999993 110.876 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -131.74 108.84 9.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 73.329999999999998 110.907 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 40.9 t-80 -104.15 108.88 20.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 65.219999999999999 110.889 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -111.91 102.16 10.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 63.119999999999997 110.879 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 6.9 t -147.02 174.21 11.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 54.509999999999998 110.865 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.96 -9.04 30.85 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 73.510000000000005 112.511 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.32 112.12 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.868 0.366 . . . . 71.109999999999999 110.92 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -103.87 119.78 39.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 70.219999999999999 110.896 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 53.8 t -129.37 113.7 28.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 73.450000000000003 111.144 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 41.4 m170 -121.34 113.72 20.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 71.200000000000003 110.884 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -126.88 133.73 50.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 64.140000000000001 110.867 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.14 133.3 55.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 73.319999999999993 110.968 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 16' ' ' LYS . . . . . 0.618 ' C ' HD22 ' H' ' 17' ' ' LEU . 5.5 tttp -123.3 116.43 23.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 75.450000000000003 110.934 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.773 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.5 mm? -126.85 100.88 6.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 71.140000000000001 110.945 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 87.1 t -108.58 112.27 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 61.210000000000001 111.088 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.628 ' CZ ' HD12 ' H' ' 17' ' ' LEU . 5.6 m-85 -116.35 105.95 13.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 73.230000000000004 110.865 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 20' ' ' PHE . . . . . 0.589 ' CZ ' HG22 ' G' ' 31' ' ' ILE . 4.0 m-30 60.28 80.85 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 64.409999999999997 110.888 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.55 116.32 28.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 42.310000000000002 111.119 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.37 108.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 73.230000000000004 110.893 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 24' ' ' VAL . . . . . 0.749 HG11 ' OD1' ' H' ' 27' ' ' ASN . 95.7 t -125.59 124.09 66.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 74.120000000000005 111.099 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.24 -51.0 59.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.751 . . . . 52.039999999999999 112.492 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -148.5 121.9 9.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.861 0.363 . . . . 74.219999999999999 110.888 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 27' ' ' ASN . . . . . 0.749 ' OD1' HG11 ' H' ' 24' ' ' VAL . 13.0 m-20 -94.32 99.95 12.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 70.340000000000003 110.906 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 28' ' ' LYS . . . . . 0.521 ' O ' HD11 ' H' ' 31' ' ' ILE . 5.1 tptp -118.28 137.71 52.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 72.040000000000006 110.88 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.94 -143.09 28.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 75.0 112.455 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 30' ' ' ALA . . . . . 0.531 ' C ' HD13 ' H' ' 31' ' ' ILE . . . -82.48 113.84 20.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.753 0.311 . . . . 32.509999999999998 111.09 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.602 HG22 ' CZ ' ' I' ' 20' ' ' PHE . 3.2 mm -117.32 107.81 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 73.219999999999999 111.13 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 26.5 mt -127.44 118.93 50.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 63.039999999999999 111.177 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.91 -45.4 55.96 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 53.119999999999997 112.467 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.931 ' O ' HD13 ' H' ' 34' ' ' LEU . 0.0 OUTLIER -170.29 148.63 3.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 70.349999999999994 110.907 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' H' H ' 35' ' ' MET . . . . . 0.797 ' N ' HD22 ' H' ' 34' ' ' LEU . 0.0 OUTLIER -114.94 114.0 24.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 72.230000000000004 110.876 179.851 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.607 HG12 HD21 ' H' ' 34' ' ' LEU . 4.5 p -135.53 117.04 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 72.200000000000003 111.132 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.38 18.03 41.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 64.140000000000001 112.501 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.21 -170.9 17.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 43.439999999999998 112.486 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.693 HG23 ' O ' ' G' ' 39' ' ' VAL . 3.2 p -169.54 130.48 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 63.009999999999998 111.157 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' H' H ' 40' ' ' VAL . . . . . 0.734 HG22 ' HA ' ' G' ' 40' ' ' VAL . 23.9 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 72.099999999999994 111.155 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.812 0.339 . . . . 73.420000000000002 110.857 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.32 80.94 2.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 61.509999999999998 111.118 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -52.37 -46.68 66.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 64.129999999999995 110.913 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -147.1 115.12 6.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 74.319999999999993 110.875 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -131.85 109.34 10.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 71.420000000000002 110.827 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -104.29 108.7 20.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 55.009999999999998 110.875 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -112.4 102.28 10.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 71.319999999999993 110.89 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t -146.26 173.46 12.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 21.109999999999999 110.851 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.83 -8.59 31.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 73.510000000000005 112.496 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -172.24 111.29 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 74.140000000000001 110.92 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -103.66 119.8 39.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.065 -0.516 . . . . 75.099999999999994 110.853 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 55.1 t -129.82 113.28 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 73.040000000000006 111.113 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 41.8 m170 -121.09 113.14 19.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 75.209999999999994 110.883 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -126.06 133.26 51.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 72.430000000000007 110.888 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.88 134.15 54.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 74.150000000000006 110.929 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 16' ' ' LYS . . . . . 0.596 ' C ' HD22 ' I' ' 17' ' ' LEU . 5.5 tttp -122.43 116.48 24.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 71.439999999999998 110.871 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.736 HD13 ' HB2' ' H' ' 17' ' ' LEU . 4.6 mm? -128.22 100.35 5.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 73.040000000000006 110.937 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 88.1 t -108.75 113.46 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 64.200000000000003 111.122 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 19' ' ' PHE . . . . . 0.637 ' CZ ' HD12 ' I' ' 17' ' ' LEU . 5.1 m-85 -115.73 106.9 14.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 74.129999999999995 110.86 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 20' ' ' PHE . . . . . 0.602 ' CZ ' HG22 ' H' ' 31' ' ' ILE . 4.0 m-30 59.67 81.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 75.140000000000001 110.887 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.4 115.76 28.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 73.439999999999998 111.075 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 64.3 108.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 64.420000000000002 110.825 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.708 HG11 ' OD1' ' I' ' 27' ' ' ASN . 93.2 t -125.41 123.82 65.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 74.299999999999997 111.126 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.9 -50.68 61.62 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 64.409999999999997 112.436 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -149.24 122.09 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 74.530000000000001 110.846 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 27' ' ' ASN . . . . . 0.708 ' OD1' HG11 ' I' ' 24' ' ' VAL . 12.1 m-20 -93.72 99.32 11.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 74.319999999999993 110.903 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 28' ' ' LYS . . . . . 0.473 ' O ' HD11 ' I' ' 31' ' ' ILE . 4.5 tptp -119.37 138.84 52.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 63.409999999999997 110.915 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.75 -141.99 26.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 71.430000000000007 112.494 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.469 ' C ' HD13 ' I' ' 31' ' ' ILE . . . -82.7 113.77 20.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.738 0.304 . . . . 61.240000000000002 111.124 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.6 HG22 ' CZ ' ' J' ' 20' ' ' PHE . 4.8 mm -117.23 108.93 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 63.530000000000001 111.104 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 29.2 mt -127.86 118.18 48.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 64.329999999999998 111.133 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.53 -45.37 53.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 41.229999999999997 112.463 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.887 ' O ' HD13 ' I' ' 34' ' ' LEU . 0.0 OUTLIER -171.25 146.25 2.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.802 0.334 . . . . 61.329999999999998 110.927 -179.9 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' I' I ' 35' ' ' MET . . . . . 0.725 ' N ' HD22 ' I' ' 34' ' ' LEU . 0.0 OUTLIER -116.22 113.34 22.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 74.540000000000006 110.905 179.838 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.786 HG12 HD21 ' I' ' 34' ' ' LEU . 3.4 p -135.43 115.29 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 62.149999999999999 111.147 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.09 17.37 44.57 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.753 -0.736 . . . . 73.010000000000005 112.478 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.58 -170.16 19.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 5.4299999999999997 112.482 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 0.689 HG23 ' O ' ' H' ' 39' ' ' VAL . 3.2 p -169.18 130.88 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.356 . . . . 71.400000000000006 111.141 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' I' I ' 40' ' ' VAL . . . . . 0.709 HG22 ' HA ' ' H' ' 40' ' ' VAL . 33.0 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 51.420000000000002 111.161 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.828 0.346 . . . . 74.310000000000002 110.908 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.1 82.67 2.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 75.420000000000002 111.068 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -51.96 -47.14 64.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 73.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.68 115.76 6.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 71.319999999999993 110.852 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -129.36 109.16 10.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 73.230000000000004 110.875 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -102.9 108.77 20.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.209999999999994 110.868 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -113.03 102.19 10.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 62.240000000000002 110.871 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 7.3 t -147.56 170.73 16.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.450000000000003 110.88 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.15 -7.92 34.56 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 54.43 112.462 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -171.7 109.3 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.859 0.362 . . . . 75.049999999999997 110.918 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -104.95 120.05 40.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 44.210000000000001 110.907 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 54.6 t -129.67 113.83 28.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 74.120000000000005 111.122 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 43.3 m170 -120.32 112.92 19.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 71.450000000000003 110.852 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -127.36 133.95 50.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 74.299999999999997 110.828 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.7 139.09 54.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 71.439999999999998 110.893 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' J' J ' 16' ' ' LYS . . . . . 0.537 ' C ' HD22 ' J' ' 17' ' ' LEU . 5.5 tttp -122.86 115.69 22.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 73.519999999999996 110.887 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.569 HD13 ' HB2' ' I' ' 17' ' ' LEU . 4.4 mm? -128.1 101.57 6.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 60.149999999999999 110.917 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.4 ' CG1' ' HB2' ' J' ' 21' ' ' ALA . 85.7 t -108.06 114.49 46.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 73.129999999999995 111.154 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.518 ' CE1' HD12 ' J' ' 17' ' ' LEU . 5.6 m-85 -114.6 105.43 13.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.430000000000007 110.894 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' J' J ' 20' ' ' PHE . . . . . 0.6 ' CZ ' HG22 ' I' ' 31' ' ' ILE . 4.1 m-30 59.01 81.24 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 73.010000000000005 110.948 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' J' J ' 21' ' ' ALA . . . . . 0.4 ' HB2' ' CG1' ' J' ' 18' ' ' VAL . . . -94.88 114.36 26.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 75.239999999999995 111.092 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 63.6 108.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 55.229999999999997 110.89 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.712 HG11 ' OD1' ' J' ' 27' ' ' ASN . 90.6 t -124.71 122.2 63.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 72.400000000000006 111.166 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.82 -49.94 64.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 42.240000000000002 112.514 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -151.17 121.36 7.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.929 0.395 . . . . 74.340000000000003 110.836 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' J' J ' 27' ' ' ASN . . . . . 0.712 ' OD1' HG11 ' J' ' 24' ' ' VAL . 11.5 m-20 -91.85 98.95 11.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 62.119999999999997 110.851 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 tptp -120.6 140.09 52.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 75.109999999999999 110.915 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.01 -140.36 23.03 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 63.299999999999997 112.513 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 0.432 ' HB3' ' HA ' ' I' ' 30' ' ' ALA . . . -83.05 114.31 21.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 71.400000000000006 111.08 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.426 HG21 ' ND2' ' J' ' 27' ' ' ASN . 10.0 mm -113.55 108.04 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 60.030000000000001 111.155 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 36.3 mt -124.57 114.42 40.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 64.340000000000003 111.114 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.16 -41.31 78.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.749 -0.738 . . . . 72.310000000000002 112.478 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.827 ' C ' HD22 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -171.34 149.15 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 63.310000000000002 110.906 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' J' J ' 35' ' ' MET . . . . . 0.599 ' N ' HD22 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -124.96 114.83 19.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 64.099999999999994 110.89 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.671 HG12 HD21 ' J' ' 34' ' ' LEU . 4.4 p -140.89 114.28 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 75.5 111.141 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.47 19.42 33.77 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 61.420000000000002 112.508 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -112.01 -168.44 18.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 53.509999999999998 112.464 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.637 HG23 ' O ' ' I' ' 39' ' ' VAL . 3.3 p -168.88 132.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 72.239999999999995 111.12 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.503 HG22 ' HA ' ' I' ' 40' ' ' VAL . 34.2 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 74.340000000000003 111.119 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.799 0.333 . . . . 73.299999999999997 110.869 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.62 91.66 4.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 51.100000000000001 111.103 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.35 -30.21 38.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 72.120000000000005 110.945 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.657 ' CE2' ' HB2' ' F' ' 30' ' ' ALA . 0.2 OUTLIER -162.29 113.96 1.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 62.109999999999999 110.868 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -135.53 108.51 7.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 73.540000000000006 110.865 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -111.71 109.2 18.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 74.319999999999993 110.861 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -111.3 102.45 10.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 72.430000000000007 110.816 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.8 t -149.14 176.82 10.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 75.430000000000007 110.88 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.09 -19.27 9.12 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.739 -0.743 . . . . 55.030000000000001 112.426 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -156.03 110.94 2.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.825 0.345 . . . . 74.209999999999994 110.924 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -103.2 119.69 39.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 74.019999999999996 110.848 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.9 t -130.74 113.73 25.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 64.519999999999996 111.135 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -118.36 118.72 32.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 62.140000000000001 110.856 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -130.12 114.45 15.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 74.230000000000004 110.882 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.453 ' HG3' HG12 ' F' ' 39' ' ' VAL . 0.0 OUTLIER -119.34 133.48 55.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 72.530000000000001 110.875 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -133.62 115.56 14.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 73.319999999999993 110.907 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.676 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.2 mm? -113.22 109.81 19.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 65.530000000000001 110.937 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.533 ' CG1' ' HB2' ' A' ' 21' ' ' ALA . 39.6 t -105.05 111.22 33.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 73.209999999999994 111.128 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.456 ' HE1' HD12 ' A' ' 17' ' ' LEU . 13.9 m-30 -102.19 105.39 16.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 65.430000000000007 110.892 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 57.48 92.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 52.340000000000003 110.833 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.533 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . . . -114.19 137.63 51.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 55.450000000000003 111.119 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.88 86.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.415 . . . . 64.340000000000003 110.843 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.617 HG22 ' H ' ' A' ' 26' ' ' SER . 7.6 p -122.86 129.63 75.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 62.0 111.116 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.91 -35.55 40.17 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.757 -0.735 . . . . 61.240000000000002 112.505 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.617 ' H ' HG22 ' A' ' 24' ' ' VAL . 0.5 OUTLIER 179.79 138.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.907 0.384 . . . . 61.350000000000001 110.859 -179.744 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -100.2 100.03 10.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 62.409999999999997 110.908 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.95 150.27 34.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 71.439999999999998 110.891 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.85 -129.74 27.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 40.240000000000002 112.503 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.685 ' HB2' ' CE2' ' F' ' 4' ' ' PHE . . . -105.71 113.93 27.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.756 0.312 . . . . 60.450000000000003 111.09 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.499 HD13 ' N ' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -123.86 118.46 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 74.450000000000003 111.123 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mt -132.07 122.28 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.469 . . . . 73.319999999999993 111.104 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.01 -51.0 20.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 63.299999999999997 112.536 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.78 HD13 ' N ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -158.78 159.2 34.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 64.010000000000005 110.898 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.417 ' HE1' ' HA ' ' A' ' 39' ' ' VAL . 2.4 ttp -133.31 122.98 24.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 72.239999999999995 110.87 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.2 t -134.32 113.16 16.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 70.150000000000006 111.159 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.31 26.97 73.43 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.705 -0.76 . . . . 43.32 112.504 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.19 -173.82 15.18 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.776 -0.726 . . . . 74.439999999999998 112.449 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.773 HG13 HG23 ' B' ' 39' ' ' VAL . 12.5 p -164.24 151.0 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 52.409999999999997 111.141 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.72 ' HA ' HG22 ' B' ' 40' ' ' VAL . 18.1 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 73.340000000000003 111.144 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.87 0.367 . . . . 44.100000000000001 110.89 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.18 91.9 5.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 43.039999999999999 111.134 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -52.67 -28.33 21.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 62.43 110.886 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.623 ' CE2' ' HB2' ' G' ' 30' ' ' ALA . 0.3 OUTLIER -162.72 114.32 1.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 71.340000000000003 110.863 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -133.09 108.5 8.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 74.310000000000002 110.858 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 33.2 t-80 -111.15 110.44 20.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 73.230000000000004 110.838 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -112.42 101.83 9.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 74.340000000000003 110.856 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' C' ' 8' ' ' SER . 7.7 t -148.14 176.4 10.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 62.200000000000003 110.843 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.35 -18.84 9.32 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.78 -0.724 . . . . 53.109999999999999 112.491 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -156.09 110.76 2.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.924 0.393 . . . . 62.210000000000001 110.942 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -101.6 119.0 38.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 73.25 110.866 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 30.3 t -129.61 114.03 29.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 64.329999999999998 111.118 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 67.1 m170 -119.51 120.18 36.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 73.120000000000005 110.895 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -128.18 116.78 20.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 73.420000000000002 110.873 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.444 ' HG3' HG12 ' G' ' 39' ' ' VAL . 0.0 OUTLIER -119.74 132.29 55.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 75.540000000000006 110.919 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -131.77 115.99 16.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 75.219999999999999 110.846 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.739 ' HB2' HD13 ' C' ' 17' ' ' LEU . 4.1 mm? -115.59 106.68 14.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 62.25 110.897 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.499 ' CG1' ' HB2' ' B' ' 21' ' ' ALA . 40.7 t -103.23 109.85 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 30.34 111.139 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.492 ' HE1' HD12 ' B' ' 17' ' ' LEU . 12.5 m-30 -102.28 101.75 12.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 73.510000000000005 110.905 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 58.62 92.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 64.239999999999995 110.871 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.499 ' HB2' ' CG1' ' B' ' 18' ' ' VAL . . . -115.01 138.66 50.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 73.239999999999995 111.127 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.14 86.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 73.329999999999998 110.868 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.618 HG22 ' H ' ' B' ' 26' ' ' SER . 7.7 p -123.8 127.77 73.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 71.129999999999995 111.1 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.37 -34.34 41.27 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 75.219999999999999 112.5 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.618 ' H ' HG22 ' B' ' 24' ' ' VAL . 0.5 OUTLIER -179.13 138.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 64.340000000000003 110.869 -179.745 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -100.96 99.56 10.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 63.009999999999998 110.889 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.45 153.58 30.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 54.229999999999997 110.939 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.65 -128.67 29.87 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 74.310000000000002 112.48 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.596 ' HB2' ' CE2' ' G' ' 4' ' ' PHE . . . -104.73 114.18 28.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 74.5 111.085 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.539 ' N ' HD13 ' B' ' 31' ' ' ILE . 0.0 OUTLIER -121.59 115.19 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 74.049999999999997 111.169 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -131.27 122.05 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 44.140000000000001 111.126 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.74 -50.47 31.49 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 75.099999999999994 112.509 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.785 ' N ' HD13 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -158.49 155.93 29.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 52.25 110.924 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttp -128.1 120.84 28.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 73.319999999999993 110.858 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 63.8 t -137.06 112.83 11.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 74.140000000000001 111.101 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.38 28.62 73.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 70.430000000000007 112.456 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.03 -174.76 15.99 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 72.129999999999995 112.472 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.852 HG13 HG23 ' C' ' 39' ' ' VAL . 14.5 p -164.69 150.03 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.907 0.385 . . . . 74.329999999999998 111.103 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.753 ' HA ' HG22 ' C' ' 40' ' ' VAL . 13.8 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 72.549999999999997 111.125 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.814 0.34 . . . . 75.329999999999998 110.88 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.81 92.03 5.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 53.030000000000001 111.105 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.67 -28.12 31.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 71.129999999999995 110.892 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 4' ' ' PHE . . . . . 0.629 ' CE2' ' HB2' ' H' ' 30' ' ' ALA . 0.2 OUTLIER -162.54 114.12 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 71.510000000000005 110.902 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -131.34 108.58 9.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 63.520000000000003 110.874 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 34.5 t-80 -111.54 109.44 19.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 74.230000000000004 110.832 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -111.53 101.92 10.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 64.319999999999993 110.861 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 8' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' B' ' 8' ' ' SER . 7.7 t -148.58 176.02 10.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 63.200000000000003 110.873 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.66 -18.4 9.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.802 -0.713 . . . . 72.420000000000002 112.511 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -155.91 110.99 2.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.88 0.371 . . . . 65.340000000000003 110.895 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -100.97 119.12 38.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 63.530000000000001 110.898 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 30.2 t -128.17 113.91 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 70.209999999999994 111.106 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 66.6 m170 -120.28 118.56 30.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 71.200000000000003 110.841 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -127.5 117.06 21.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 61.329999999999998 110.882 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.67 131.98 55.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 74.140000000000001 110.931 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -128.86 116.28 19.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 62.329999999999998 110.879 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.739 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.3 mm? -117.95 104.96 11.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 65.549999999999997 110.952 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.463 ' CG1' ' HB2' ' C' ' 21' ' ' ALA . 41.5 t -102.71 110.06 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 72.540000000000006 111.145 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.5 ' HE1' HD12 ' C' ' 17' ' ' LEU . 10.5 m-30 -102.37 100.94 11.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 71.25 110.908 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 57.83 92.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 74.230000000000004 110.825 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.463 ' HB2' ' CG1' ' C' ' 18' ' ' VAL . . . -116.7 138.28 51.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 73.019999999999996 111.089 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.49 86.81 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 73.230000000000004 110.821 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.621 HG22 ' H ' ' C' ' 26' ' ' SER . 7.5 p -124.63 127.31 72.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 62.329999999999998 111.142 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.68 -34.12 35.54 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 72.530000000000001 112.467 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.621 ' H ' HG22 ' C' ' 24' ' ' VAL . 0.5 OUTLIER -178.85 138.43 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.915 0.388 . . . . 74.25 110.807 -179.766 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -101.33 99.81 10.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.511 . . . . 73.299999999999997 110.859 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.18 154.34 30.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 72.010000000000005 110.9 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.85 -128.3 28.9 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.756 . . . . 50.119999999999997 112.49 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.579 ' HB2' ' CE2' ' H' ' 4' ' ' PHE . . . -104.47 113.53 27.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.748 0.309 . . . . 74.430000000000007 111.11 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.561 HD13 ' N ' ' C' ' 31' ' ' ILE . 0.0 OUTLIER -119.79 113.09 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 60.509999999999998 111.128 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -129.72 121.74 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 60.509999999999998 111.118 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.41 ' C ' HD13 ' C' ' 34' ' ' LEU . . . -50.25 -51.23 31.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.735 . . . . 62.109999999999999 112.521 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.798 HD13 ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -156.64 154.81 30.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 54.030000000000001 110.88 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.5 ttp -127.82 119.46 25.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 63.340000000000003 110.898 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 72.7 t -137.57 112.01 9.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 75.340000000000003 111.127 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.4 30.05 75.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.707 -0.758 . . . . 72.439999999999998 112.537 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.29 -174.61 16.4 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.75 . . . . 60.109999999999999 112.507 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.866 HG13 HG23 ' D' ' 39' ' ' VAL . 14.6 p -164.42 150.24 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.922 0.391 . . . . 73.340000000000003 111.107 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.753 HG22 ' HA ' ' B' ' 40' ' ' VAL . 12.3 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 74.310000000000002 111.165 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.813 0.34 . . . . 74.349999999999994 110.874 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.91 91.95 5.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 72.319999999999993 111.11 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.92 -27.83 33.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 74.140000000000001 110.855 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 4' ' ' PHE . . . . . 0.642 ' CE2' ' HB2' ' I' ' 30' ' ' ALA . 0.2 OUTLIER -161.81 114.18 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 73.340000000000003 110.891 -179.869 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -130.4 108.32 9.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 74.5 110.913 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 34.3 t-80 -112.47 108.99 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 75.040000000000006 110.869 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -110.6 101.88 10.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 73.120000000000005 110.852 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 8' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' C' ' 8' ' ' SER . 7.7 t -149.29 174.52 12.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 73.219999999999999 110.849 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.15 -17.08 10.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.785 -0.721 . . . . 60.530000000000001 112.509 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -155.77 110.39 2.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 64.230000000000004 110.911 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -100.29 119.69 38.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 73.430000000000007 110.928 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 30.2 t -127.18 114.24 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 74.299999999999997 111.158 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 66.1 m170 -121.51 117.4 26.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 72.230000000000004 110.884 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -127.39 117.68 22.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 65.030000000000001 110.853 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.0 132.44 55.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 55.509999999999998 110.943 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.423 ' C ' HD22 ' D' ' 17' ' ' LEU . 12.3 tttp -127.18 115.68 19.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 72.010000000000005 110.874 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.686 HD13 ' HB2' ' C' ' 17' ' ' LEU . 4.3 mm? -120.58 103.92 9.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 72.209999999999994 110.887 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.536 ' CG1' ' HB2' ' D' ' 21' ' ' ALA . 40.0 t -102.92 112.01 34.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 61.149999999999999 111.155 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.519 ' HE1' HD12 ' D' ' 17' ' ' LEU . 9.4 m-30 -101.84 101.07 11.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 71.400000000000006 110.847 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 58.15 92.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 70.420000000000002 110.891 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 21' ' ' ALA . . . . . 0.536 ' HB2' ' CG1' ' D' ' 18' ' ' VAL . . . -116.79 139.52 50.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 44.409999999999997 111.082 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.82 85.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 62.119999999999997 110.872 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.602 HG22 ' H ' ' D' ' 26' ' ' SER . 7.5 p -125.39 126.7 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 73.310000000000002 111.121 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.21 -34.34 40.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 63.43 112.536 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 26' ' ' SER . . . . . 0.602 ' H ' HG22 ' D' ' 24' ' ' VAL . 0.5 OUTLIER -178.99 138.46 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 74.319999999999993 110.865 -179.782 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -99.58 99.99 10.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 72.409999999999997 110.918 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.93 154.26 29.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 74.040000000000006 110.878 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.66 -128.54 29.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 65.329999999999998 112.438 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.659 ' HB2' ' CE2' ' I' ' 4' ' ' PHE . . . -104.41 113.3 26.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 51.439999999999998 111.13 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.515 ' N ' HD13 ' D' ' 31' ' ' ILE . 0.0 OUTLIER -117.56 113.5 42.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 74.430000000000007 111.109 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -129.41 121.16 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 45.109999999999999 111.13 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 33' ' ' GLY . . . . . 0.487 ' C ' HD13 ' D' ' 34' ' ' LEU . . . -50.65 -51.87 31.47 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 61.450000000000003 112.485 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.776 ' N ' HD13 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -155.22 153.43 30.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 63.039999999999999 110.939 -179.886 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 2.6 mtp -128.33 118.53 23.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 73.409999999999997 110.892 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 76.9 t -138.18 111.53 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 53.039999999999999 111.093 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.88 30.3 76.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 74.420000000000002 112.476 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.23 -173.91 16.75 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.682 -0.771 . . . . 74.450000000000003 112.433 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.875 HG13 HG23 ' E' ' 39' ' ' VAL . 12.9 p -163.16 150.79 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.368 . . . . 71.140000000000001 111.125 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.73 HG22 ' HA ' ' C' ' 40' ' ' VAL . 12.7 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 45.409999999999997 111.099 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.822 0.344 . . . . 72.310000000000002 110.874 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.3 91.87 5.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 54.229999999999997 111.136 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 3' ' ' GLU . . . . . 0.407 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . 1.5 mp0 -53.7 -27.77 29.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 71.299999999999997 110.89 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 4' ' ' PHE . . . . . 0.638 ' CE2' ' HB2' ' J' ' 30' ' ' ALA . 0.2 OUTLIER -160.67 115.24 2.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 65.450000000000003 110.876 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -129.14 107.67 9.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 62.219999999999999 110.859 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 32.2 t-80 -112.73 108.76 17.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 74.030000000000001 110.863 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -108.68 101.1 10.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 51.43 110.877 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 7.5 t -152.34 169.79 21.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 75.349999999999994 110.865 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.54 -14.15 15.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 50.229999999999997 112.511 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -153.37 108.77 3.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.345 . . . . 73.209999999999994 110.92 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -101.1 120.81 40.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 61.030000000000001 110.874 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 30.0 t -125.4 114.34 39.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 52.549999999999997 111.137 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 64.8 m170 -122.82 115.82 22.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 70.340000000000003 110.887 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -128.5 120.39 26.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 75.310000000000002 110.828 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.74 133.61 54.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 72.420000000000002 110.934 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 16' ' ' LYS . . . . . 0.481 ' O ' HD22 ' E' ' 17' ' ' LEU . 11.3 tttp -125.64 115.76 20.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 71.239999999999995 110.898 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.641 HD13 ' HB2' ' D' ' 17' ' ' LEU . 4.5 mm? -123.16 104.04 8.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 70.420000000000002 110.899 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.56 ' CG1' ' HB2' ' E' ' 21' ' ' ALA . 40.1 t -102.04 114.75 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 64.439999999999998 111.111 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.466 ' HE1' HD12 ' E' ' 17' ' ' LEU . 9.3 m-30 -102.67 97.32 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 72.239999999999995 110.911 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 58.99 90.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 72.400000000000006 110.86 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 21' ' ' ALA . . . . . 0.56 ' HB2' ' CG1' ' E' ' 18' ' ' VAL . . . -114.99 139.59 49.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 65.0 111.13 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.67 85.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 63.329999999999998 110.856 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.584 HG22 ' H ' ' E' ' 26' ' ' SER . 7.6 p -124.11 124.58 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 72.310000000000002 111.137 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.26 -32.96 37.73 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.751 -0.738 . . . . 41.409999999999997 112.498 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 26' ' ' SER . . . . . 0.584 ' H ' HG22 ' E' ' 24' ' ' VAL . 0.5 OUTLIER -179.0 136.58 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 74.510000000000005 110.909 -179.75 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.532 ' OD1' HG21 ' E' ' 24' ' ' VAL . 22.6 m-20 -98.91 99.43 10.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 72.519999999999996 110.902 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -115.91 155.07 28.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 73.400000000000006 110.892 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.13 -130.63 29.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.745 . . . . 52.32 112.481 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.652 ' HB2' ' CE2' ' J' ' 4' ' ' PHE . . . -101.82 114.64 28.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.746 0.308 . . . . 71.109999999999999 111.107 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.473 HG22 HG13 ' D' ' 31' ' ' ILE . 0.0 OUTLIER -115.46 114.2 45.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 64.409999999999997 111.13 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -129.22 117.54 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 73.150000000000006 111.076 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 33' ' ' GLY . . . . . 0.59 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -51.82 -48.19 51.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.673 -0.775 . . . . 74.549999999999997 112.492 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.747 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -155.22 154.04 31.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 60.130000000000003 110.921 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.401 ' H ' HD22 ' D' ' 34' ' ' LEU . 2.7 mtp -130.5 118.1 20.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 64.030000000000001 110.866 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 58.5 t -142.62 111.02 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 63.450000000000003 111.127 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.28 30.59 78.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 64.019999999999996 112.475 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.2 -173.39 16.53 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.726 . . . . 71.329999999999998 112.435 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.875 HG23 HG13 ' D' ' 39' ' ' VAL . 12.1 p -162.14 150.72 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 55.210000000000001 111.158 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.695 HG22 ' HA ' ' D' ' 40' ' ' VAL . 15.4 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 74.349999999999994 111.118 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.864 0.364 . . . . 71.340000000000003 110.862 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.83 91.55 5.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 74.030000000000001 111.088 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.59 -29.67 38.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 70.420000000000002 110.908 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 4' ' ' PHE . . . . . 0.685 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -161.32 114.18 1.9 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 74.109999999999999 110.926 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -134.1 108.73 8.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 74.209999999999994 110.867 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -111.05 109.14 19.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 54.549999999999997 110.897 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -111.21 102.27 10.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 72.239999999999995 110.866 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 7.8 t -149.51 176.54 10.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 74.530000000000001 110.892 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.4 -19.3 8.95 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 62.109999999999999 112.498 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -156.02 110.93 2.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.822 0.344 . . . . 74.430000000000007 110.969 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -102.59 119.44 38.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 71.140000000000001 110.87 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 29.8 t -129.8 114.07 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 53.530000000000001 111.163 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 66.6 m170 -117.95 118.96 33.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 73.409999999999997 110.877 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -131.46 112.91 13.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 71.439999999999998 110.86 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 15' ' ' GLN . . . . . 0.43 ' HG3' HG12 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -119.52 133.51 55.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 72.310000000000002 110.893 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -133.9 115.65 14.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 75.049999999999997 110.912 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.68 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.3 mm? -113.12 110.13 19.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 74.120000000000005 110.922 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.541 ' CG1' ' HB2' ' F' ' 21' ' ' ALA . 39.2 t -105.44 111.68 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 62.409999999999997 111.178 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.429 ' HD2' HD12 ' G' ' 34' ' ' LEU . 14.2 m-30 -102.17 105.71 16.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 72.129999999999995 110.911 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 57.49 92.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 72.209999999999994 110.848 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 21' ' ' ALA . . . . . 0.541 ' HB2' ' CG1' ' F' ' 18' ' ' VAL . . . -114.68 138.35 50.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 75.030000000000001 111.099 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.55 85.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 63.119999999999997 110.858 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.609 HG22 ' H ' ' F' ' 26' ' ' SER . 7.7 p -123.08 129.69 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 65.019999999999996 111.141 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.04 -35.92 42.1 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.724 -0.75 . . . . 34.43 112.5 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 26' ' ' SER . . . . . 0.609 ' H ' HG22 ' F' ' 24' ' ' VAL . 0.5 OUTLIER 179.98 136.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.872 0.368 . . . . 63.340000000000003 110.873 -179.809 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -98.91 99.7 10.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 75.219999999999999 110.866 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.45 150.62 32.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 73.019999999999996 110.874 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.57 -131.89 29.43 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.718 -0.753 . . . . 43.530000000000001 112.517 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.657 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . . . -103.55 113.43 26.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.318 . . . . 73.019999999999996 111.134 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.497 HD13 ' N ' ' F' ' 31' ' ' ILE . 0.0 OUTLIER -123.67 119.16 56.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 65.109999999999999 111.131 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mt -132.49 122.36 47.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 72.530000000000001 111.164 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.95 -51.28 19.28 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 31.02 112.461 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.784 HD13 ' N ' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -158.85 158.86 34.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.79 0.329 . . . . 71.129999999999995 110.931 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttp -132.93 122.76 24.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 73.239999999999995 110.864 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 53.0 t -134.22 112.92 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 72.140000000000001 111.139 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.29 26.86 73.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 43.140000000000001 112.492 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.44 -173.74 15.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 64.439999999999998 112.454 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.756 HG13 HG23 ' G' ' 39' ' ' VAL . 12.1 p -164.85 151.85 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.353 . . . . 54.420000000000002 111.14 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.727 ' HA ' HG22 ' G' ' 40' ' ' VAL . 18.3 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 62.009999999999998 111.128 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.814 0.34 . . . . 73.400000000000006 110.853 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.54 91.48 5.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 61.409999999999997 111.115 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -52.7 -28.86 23.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 75.040000000000006 110.886 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 4' ' ' PHE . . . . . 0.596 ' CE2' ' HB2' ' B' ' 30' ' ' ALA . 0.3 OUTLIER -162.84 114.57 1.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 75.230000000000004 110.926 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -132.47 108.4 9.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 62.409999999999997 110.893 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 33.6 t-80 -110.43 109.8 20.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 73.200000000000003 110.882 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -111.68 101.49 9.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 75.540000000000006 110.845 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 8' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' H' ' 8' ' ' SER . 7.7 t -148.37 176.25 10.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 70.319999999999993 110.838 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.57 -18.81 9.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.731 . . . . 65.340000000000003 112.536 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -156.11 110.49 2.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.862 0.363 . . . . 75.400000000000006 110.944 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -100.92 118.94 37.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 64.030000000000001 110.859 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 30.6 t -128.66 114.06 31.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 60.409999999999997 111.158 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 67.3 m170 -119.2 119.45 34.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 75.510000000000005 110.845 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -128.89 116.33 19.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 73.030000000000001 110.879 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 15' ' ' GLN . . . . . 0.424 ' HG3' HG12 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -120.72 132.41 55.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 75.340000000000003 110.903 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -131.8 116.31 17.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 50.350000000000001 110.882 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.715 ' HB2' HD13 ' H' ' 17' ' ' LEU . 4.1 mm? -115.47 106.99 14.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 71.439999999999998 110.934 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.506 ' CG1' ' HB2' ' G' ' 21' ' ' ALA . 41.2 t -103.55 110.35 29.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.479 . . . . 73.349999999999994 111.105 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.488 ' HE1' HD12 ' G' ' 17' ' ' LEU . 12.6 m-30 -102.32 102.21 12.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 61.219999999999999 110.87 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 58.56 92.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 71.219999999999999 110.879 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 21' ' ' ALA . . . . . 0.506 ' HB2' ' CG1' ' G' ' 18' ' ' VAL . . . -115.3 138.72 50.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 64.010000000000005 111.103 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.07 86.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.432 . . . . 70.25 110.86 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.619 HG22 ' H ' ' G' ' 26' ' ' SER . 7.7 p -123.7 127.62 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 73.150000000000006 111.111 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.29 -34.34 40.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 74.299999999999997 112.488 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 26' ' ' SER . . . . . 0.619 ' H ' HG22 ' G' ' 24' ' ' VAL . 0.6 OUTLIER -179.05 137.45 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 54.43 110.857 -179.697 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -100.9 98.95 9.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 71.340000000000003 110.835 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.16 154.71 28.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 72.129999999999995 110.896 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.17 -129.42 31.86 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 74.040000000000006 112.488 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.623 ' HB2' ' CE2' ' B' ' 4' ' ' PHE . . . -104.02 113.84 27.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.322 . . . . 75.450000000000003 111.12 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.535 ' N ' HD13 ' G' ' 31' ' ' ILE . 0.0 OUTLIER -121.49 115.85 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 64.409999999999997 111.128 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -131.53 122.02 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 64.25 111.148 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.58 -51.08 28.93 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.715 -0.755 . . . . 44.520000000000003 112.502 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.796 ' N ' HD13 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -158.32 156.17 30.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.8 0.333 . . . . 53.340000000000003 110.921 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttp -128.43 120.73 27.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 62.32 110.895 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 66.4 t -136.79 112.26 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 73.310000000000002 111.101 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.43 28.94 73.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 34.109999999999999 112.535 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.11 -174.52 15.88 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 74.5 112.505 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.849 HG13 HG23 ' H' ' 39' ' ' VAL . 14.6 p -164.73 150.46 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.38 . . . . 74.319999999999993 111.102 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.727 HG22 ' HA ' ' F' ' 40' ' ' VAL . 13.6 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 53.509999999999998 111.103 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.856 0.36 . . . . 72.299999999999997 110.89 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.73 91.72 5.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 75.439999999999998 111.105 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.65 -29.07 36.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 65.439999999999998 110.925 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 4' ' ' PHE . . . . . 0.579 ' CE2' ' HB2' ' C' ' 30' ' ' ALA . 0.2 OUTLIER -161.85 114.75 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 74.030000000000001 110.894 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -131.45 108.56 9.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.430000000000007 110.859 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 35.4 t-80 -111.34 109.28 19.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 75.319999999999993 110.851 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -111.45 101.85 10.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 70.299999999999997 110.839 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 8' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' G' ' 8' ' ' SER . 7.6 t -148.64 175.84 10.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 64.340000000000003 110.854 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.64 -18.48 9.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 32.43 112.457 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -155.99 110.75 2.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 75.329999999999998 110.965 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -100.44 118.99 37.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 71.099999999999994 110.874 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 31.1 t -127.73 114.26 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 63.140000000000001 111.137 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 66.2 m170 -120.09 118.55 30.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 71.540000000000006 110.885 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -128.28 116.75 20.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 74.219999999999999 110.822 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.02 132.28 54.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 71.25 110.932 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -129.36 116.45 19.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 52.530000000000001 110.871 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.715 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.2 mm? -117.15 105.25 12.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 64.319999999999993 110.869 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.482 ' CG1' ' HB2' ' H' ' 21' ' ' ALA . 41.7 t -102.8 110.06 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 62.509999999999998 111.098 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.526 ' HE1' HD12 ' H' ' 17' ' ' LEU . 10.9 m-30 -102.1 101.1 11.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 74.239999999999995 110.853 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 57.88 91.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 63.399999999999999 110.897 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 21' ' ' ALA . . . . . 0.482 ' HB2' ' CG1' ' H' ' 18' ' ' VAL . . . -116.27 138.74 51.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 64.109999999999999 111.066 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.3 86.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 73.129999999999995 110.872 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 24' ' ' VAL . . . . . 0.62 HG22 ' H ' ' H' ' 26' ' ' SER . 7.5 p -124.21 126.98 73.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 64.140000000000001 111.141 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.05 -33.92 38.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.71 -0.757 . . . . 72.310000000000002 112.502 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 26' ' ' SER . . . . . 0.62 ' H ' HG22 ' H' ' 24' ' ' VAL . 0.5 OUTLIER -178.6 137.39 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 44.219999999999999 110.831 -179.759 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' H' H ' 27' ' ' ASN . . . . . 0.401 ' OD1' HG21 ' H' ' 24' ' ' VAL . 11.7 m-20 -101.15 98.98 9.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 75.219999999999999 110.892 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.32 155.35 27.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 72.439999999999998 110.924 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.23 -129.0 31.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 53.240000000000002 112.495 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 30' ' ' ALA . . . . . 0.629 ' HB2' ' CE2' ' C' ' 4' ' ' PHE . . . -104.0 113.56 27.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.719 0.295 . . . . 72.430000000000007 111.098 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.553 HD13 ' N ' ' H' ' 31' ' ' ILE . 0.0 OUTLIER -119.43 114.0 42.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 75.450000000000003 111.104 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -130.28 121.45 51.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 65.299999999999997 111.137 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 33' ' ' GLY . . . . . 0.423 ' C ' HD13 ' H' ' 34' ' ' LEU . . . -50.06 -51.81 28.84 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.742 -0.742 . . . . 71.019999999999996 112.537 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.8 HD13 ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -156.46 154.84 31.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.331 . . . . 74.510000000000005 110.928 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttp -127.99 119.39 25.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 62.030000000000001 110.92 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 71.8 t -137.27 112.07 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 70.019999999999996 111.149 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.7 30.41 77.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.783 -0.722 . . . . 73.510000000000005 112.495 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.3 -174.18 16.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 61.329999999999998 112.493 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.899 HG13 HG23 ' I' ' 39' ' ' VAL . 13.2 p -164.46 151.24 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 54.140000000000001 111.169 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' H' H ' 40' ' ' VAL . . . . . 0.727 HG22 ' HA ' ' G' ' 40' ' ' VAL . 13.6 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 73.219999999999999 111.102 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.848 0.356 . . . . 74.310000000000002 110.84 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.42 91.69 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 64.299999999999997 111.048 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.47 -28.91 33.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 71.120000000000005 110.891 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 4' ' ' PHE . . . . . 0.659 ' CE2' ' HB2' ' D' ' 30' ' ' ALA . 0.2 OUTLIER -161.79 114.84 1.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 73.430000000000007 110.854 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -130.36 108.38 9.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 63.100000000000001 110.823 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 35.2 t-80 -111.75 108.73 18.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 72.109999999999999 110.871 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -110.5 101.91 10.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 74.430000000000007 110.882 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 8' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' H' ' 8' ' ' SER . 7.7 t -149.41 174.49 12.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 62.549999999999997 110.857 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.82 -17.34 10.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 63.539999999999999 112.495 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -155.91 111.05 2.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.85 0.357 . . . . 72.540000000000006 110.93 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -100.42 119.81 39.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 60.340000000000003 110.867 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 31.7 t -127.12 114.26 36.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 71.549999999999997 111.124 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 65.9 m170 -121.56 117.92 27.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.168 -0.469 . . . . 73.209999999999994 110.807 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -128.72 117.74 21.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 60.350000000000001 110.839 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.11 132.06 54.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 75.25 110.9 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 16' ' ' LYS . . . . . 0.408 ' C ' HD22 ' I' ' 17' ' ' LEU . 12.6 tttp -127.07 116.22 20.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 72.140000000000001 110.908 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.704 HD13 ' HB2' ' H' ' 17' ' ' LEU . 4.2 mm? -119.19 104.23 10.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 73.219999999999999 110.937 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 18' ' ' VAL . . . . . 0.541 ' CG1' ' HB2' ' I' ' 21' ' ' ALA . 40.4 t -102.52 111.89 33.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 71.239999999999995 111.155 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 19' ' ' PHE . . . . . 0.49 ' HE1' HD12 ' I' ' 17' ' ' LEU . 10.0 m-30 -101.7 99.97 10.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 64.129999999999995 110.885 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 58.99 91.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 73.310000000000002 110.895 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 21' ' ' ALA . . . . . 0.541 ' HB2' ' CG1' ' I' ' 18' ' ' VAL . . . -117.19 139.31 50.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 71.450000000000003 111.095 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.61 86.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 73.150000000000006 110.87 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.605 HG22 ' H ' ' I' ' 26' ' ' SER . 7.1 p -126.02 126.19 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 63.520000000000003 111.129 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.89 -34.39 37.69 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.793 -0.718 . . . . 65.510000000000005 112.462 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 26' ' ' SER . . . . . 0.605 ' H ' HG22 ' I' ' 24' ' ' VAL . 0.5 OUTLIER -178.37 137.77 0.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.958 0.409 . . . . 73.150000000000006 110.84 -179.742 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' I' I ' 27' ' ' ASN . . . . . 0.4 ' OD1' HG21 ' I' ' 24' ' ' VAL . 13.8 m-20 -99.59 99.4 10.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 75.230000000000004 110.928 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.51 155.36 26.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 74.230000000000004 110.863 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.97 -130.32 33.04 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 63.420000000000002 112.455 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.642 ' HB2' ' CE2' ' D' ' 4' ' ' PHE . . . -103.08 113.49 27.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.734 0.302 . . . . 75.219999999999999 111.065 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.522 ' N ' HD13 ' I' ' 31' ' ' ILE . 0.0 OUTLIER -117.31 114.47 45.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 71.219999999999999 111.111 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -129.96 121.07 51.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 62.020000000000003 111.107 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 33' ' ' GLY . . . . . 0.499 ' C ' HD13 ' I' ' 34' ' ' LEU . . . -50.55 -52.56 28.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 72.409999999999997 112.47 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.777 ' N ' HD13 ' I' ' 34' ' ' LEU . 0.0 OUTLIER -154.9 153.68 31.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.786 0.327 . . . . 75.129999999999995 110.949 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.6 mtp -128.64 118.63 23.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 42.420000000000002 110.917 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 73.8 t -138.49 111.12 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 62.340000000000003 111.132 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.14 30.11 76.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.78 -0.724 . . . . 71.129999999999995 112.494 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.7 -173.55 16.88 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.757 . . . . 71.319999999999993 112.514 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 0.899 HG23 HG13 ' H' ' 39' ' ' VAL . 12.2 p -163.76 151.35 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.891 0.377 . . . . 74.349999999999994 111.087 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' I' I ' 40' ' ' VAL . . . . . 0.719 HG22 ' HA ' ' H' ' 40' ' ' VAL . 14.3 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 60.210000000000001 111.122 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.821 0.343 . . . . 74.430000000000007 110.822 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.8 91.67 5.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 53.450000000000003 111.089 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.05 -29.24 28.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 72.430000000000007 110.858 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' J' J ' 4' ' ' PHE . . . . . 0.652 ' CE2' ' HB2' ' E' ' 30' ' ' ALA . 0.2 OUTLIER -161.03 115.31 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 61.530000000000001 110.926 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -129.45 108.11 10.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 74.109999999999999 110.892 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -112.79 108.59 17.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 61.399999999999999 110.9 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -108.91 101.39 10.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 72.319999999999993 110.841 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 7.7 t -151.73 169.54 21.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 62.039999999999999 110.881 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.37 -15.05 14.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.803 -0.713 . . . . 55.530000000000001 112.482 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -154.25 109.08 3.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 74.420000000000002 110.943 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -99.58 120.56 39.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 63.5 110.881 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 31.0 t -125.16 114.19 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 54.350000000000001 111.105 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -122.68 116.69 24.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 71.140000000000001 110.809 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -128.54 119.5 24.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 75.010000000000005 110.859 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.26 133.27 54.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 75.310000000000002 110.918 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 16' ' ' LYS . . . . . 0.448 ' O ' HD22 ' J' ' 17' ' ' LEU . 12.1 tttp -126.94 115.81 19.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 71.420000000000002 110.883 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.637 HD13 ' HB2' ' I' ' 17' ' ' LEU . 4.4 mm? -122.29 104.24 9.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 64.329999999999998 110.913 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.552 ' CG1' ' HB2' ' J' ' 21' ' ' ALA . 39.1 t -102.0 114.92 42.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 73.420000000000002 111.143 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.471 ' HE1' HD12 ' J' ' 17' ' ' LEU . 9.6 m-30 -102.75 97.18 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 71.120000000000005 110.891 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 59.39 90.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 70.340000000000003 110.862 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' J' J ' 21' ' ' ALA . . . . . 0.552 ' HB2' ' CG1' ' J' ' 18' ' ' VAL . . . -116.09 140.53 49.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 44.329999999999998 111.089 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.44 85.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 71.140000000000001 110.905 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.604 HG22 ' H ' ' J' ' 26' ' ' SER . 7.6 p -125.12 124.76 68.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 74.510000000000005 111.109 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.03 -33.27 36.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.746 . . . . 64.150000000000006 112.498 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' J' J ' 26' ' ' SER . . . . . 0.604 ' H ' HG22 ' J' ' 24' ' ' VAL . 0.6 OUTLIER -178.94 135.89 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.872 0.367 . . . . 54.32 110.873 -179.706 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' J' J ' 27' ' ' ASN . . . . . 0.505 ' OD1' HG21 ' J' ' 24' ' ' VAL . 19.8 m-20 -97.91 99.0 10.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 61.310000000000002 110.863 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.93 155.47 26.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 74.299999999999997 110.877 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 29' ' ' GLY . . . . . 0.407 ' HA2' ' HA ' ' E' ' 3' ' ' GLU . . . 66.72 -132.26 31.8 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 42.450000000000003 112.442 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 0.638 ' HB2' ' CE2' ' E' ' 4' ' ' PHE . . . -100.55 114.37 27.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.752 0.31 . . . . 44.32 111.13 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.484 HG22 HG13 ' I' ' 31' ' ' ILE . 0.0 OUTLIER -115.0 115.57 49.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 73.349999999999994 111.121 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -130.04 118.32 43.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 71.450000000000003 111.152 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' J' J ' 33' ' ' GLY . . . . . 0.581 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -51.84 -49.5 47.75 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.752 . . . . 43.130000000000003 112.515 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.753 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -154.8 153.58 31.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.757 0.313 . . . . 73.129999999999995 110.969 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -130.69 117.71 19.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 74.140000000000001 110.902 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 73.9 t -143.16 111.05 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 54.210000000000001 111.086 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.61 30.29 77.06 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.721 -0.752 . . . . 74.010000000000005 112.491 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.12 -173.06 16.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.8 -0.714 . . . . 73.420000000000002 112.488 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.857 HG23 HG13 ' I' ' 39' ' ' VAL . 11.9 p -162.99 149.97 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 73.430000000000007 111.159 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.696 HG22 ' HA ' ' I' ' 40' ' ' VAL . 16.5 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 74.420000000000002 111.119 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.815 0.341 . . . . 64.200000000000003 110.889 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.32 84.46 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 25.420000000000002 111.08 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -52.99 -31.78 42.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 64.239999999999995 110.897 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.666 ' CE2' ' HB2' ' F' ' 30' ' ' ALA . 1.2 m-85 -156.4 113.16 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 71.019999999999996 110.872 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.99 108.31 6.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 73.439999999999998 110.855 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -112.43 131.22 55.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 73.530000000000001 110.872 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -135.47 101.56 4.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 74.420000000000002 110.832 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.6 m -145.35 176.44 9.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 41.149999999999999 110.852 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.35 -9.98 49.35 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.79 -0.719 . . . . 65.5 112.502 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.25 114.73 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.88 0.371 . . . . 74.019999999999996 110.956 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -97.77 120.12 37.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 61.350000000000001 110.897 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.3 t -127.13 125.33 66.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 64.150000000000006 111.156 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -137.85 118.75 14.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 70.409999999999997 110.844 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -136.08 133.34 37.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 73.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -122.9 133.31 54.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.349999999999994 110.938 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.555 ' O ' HD22 ' A' ' 17' ' ' LEU . 8.7 tptm -128.72 118.91 23.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 71.349999999999994 110.903 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.642 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.5 mm? -126.75 103.75 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 62.25 110.939 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.62 HG12 ' HB2' ' A' ' 21' ' ' ALA . 2.1 t -109.73 111.22 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 62.310000000000002 111.108 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.457 ' HE1' HD12 ' A' ' 17' ' ' LEU . 6.9 m-85 -103.32 141.12 36.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 75.310000000000002 110.901 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.705 ' HE1' HG22 ' A' ' 31' ' ' ILE . 17.2 m-85 62.64 36.18 13.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 72.519999999999996 110.898 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.62 ' HB2' HG12 ' A' ' 18' ' ' VAL . . . -87.6 125.92 34.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 54.130000000000003 111.051 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.36 72.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 62.420000000000002 110.808 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 p -139.36 139.95 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.310000000000002 111.108 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.79 -92.29 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 70.120000000000005 112.461 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.0 m -125.06 143.6 50.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 72.310000000000002 110.87 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 3.3 m-20 -100.13 99.48 10.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 62.549999999999997 110.91 -179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.39 168.59 10.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 74.340000000000003 110.866 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.31 -125.27 20.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 61.409999999999997 112.481 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.668 ' HB2' ' CE2' ' F' ' 4' ' ' PHE . . . -101.74 114.16 27.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.751 0.31 . . . . 33.43 111.108 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.709 HD12 ' O ' ' B' ' 30' ' ' ALA . 0.3 OUTLIER -129.25 117.8 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 62.25 111.124 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.649 HG21 ' HG3' ' A' ' 35' ' ' MET . 6.3 mt -133.98 119.19 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 62.119999999999997 111.111 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.01 -54.37 18.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 51.109999999999999 112.503 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.835 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -159.45 152.11 21.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.794 0.331 . . . . 71.349999999999994 110.951 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.649 ' HG3' HG21 ' A' ' 32' ' ' ILE . 10.9 mtp -134.53 127.96 32.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 63.200000000000003 110.884 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.979 HG11 HG21 ' F' ' 36' ' ' VAL . 45.2 t -130.16 119.03 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 74.420000000000002 111.142 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.31 25.21 64.5 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.711 -0.757 . . . . 65.420000000000002 112.516 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.24 157.48 22.01 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.767 -0.73 . . . . 42.409999999999997 112.512 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.659 HG22 HG12 ' B' ' 39' ' ' VAL . 12.0 m -123.8 177.74 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.842 0.353 . . . . 33.030000000000001 111.136 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.696 ' HA ' HG22 ' B' ' 40' ' ' VAL . 21.5 m . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 75.549999999999997 111.165 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.828 0.347 . . . . 65.349999999999994 110.853 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.37 84.38 2.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 64.209999999999994 111.078 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -52.54 -29.97 28.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 74.140000000000001 110.89 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.704 ' CE2' ' HB2' ' G' ' 30' ' ' ALA . 1.3 m-85 -157.74 112.24 2.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 65.519999999999996 110.905 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.43 107.38 7.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 75.420000000000002 110.885 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -112.55 130.55 55.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 70.049999999999997 110.858 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -134.99 101.49 4.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.310000000000002 110.82 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 10.5 m -144.65 176.12 9.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 75.519999999999996 110.897 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.65 -10.11 48.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.786 -0.721 . . . . 75.329999999999998 112.514 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -172.44 113.0 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 74.299999999999997 110.94 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -95.4 120.38 35.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 74.439999999999998 110.863 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 56.5 t -125.85 124.01 65.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 75.409999999999997 111.15 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -138.19 117.41 12.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 65.040000000000006 110.877 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -136.05 133.32 37.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 74.310000000000002 110.866 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -120.19 134.11 55.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 62.340000000000003 110.935 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.588 ' O ' HD22 ' B' ' 17' ' ' LEU . 8.7 tptm -124.75 118.92 27.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 73.349999999999994 110.915 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.642 HD13 ' HB2' ' A' ' 17' ' ' LEU . 4.5 mm? -127.74 103.72 7.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 74.040000000000006 110.912 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.844 HG12 ' HB2' ' B' ' 21' ' ' ALA . 1.7 t -110.76 112.99 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 72.109999999999999 111.175 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.49 ' CE1' HD12 ' B' ' 17' ' ' LEU . 4.6 m-85 -107.37 136.71 46.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 75.420000000000002 110.858 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.709 ' HE1' HG22 ' B' ' 31' ' ' ILE . 21.0 m-85 62.3 35.19 15.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 63.32 110.849 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.844 ' HB2' HG12 ' B' ' 18' ' ' VAL . . . -87.12 124.77 33.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 74.109999999999999 111.093 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.84 72.92 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 71.439999999999998 110.863 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 4.9 p -139.89 139.61 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 75.340000000000003 111.18 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.56 -91.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 30.309999999999999 112.53 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 27.0 m -124.12 143.6 50.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 70.25 110.83 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -102.02 99.92 10.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 71.109999999999999 110.925 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.77 169.77 8.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 75.439999999999998 110.888 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.76 -126.89 26.61 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.704 -0.76 . . . . 74.329999999999998 112.481 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.709 ' O ' HD12 ' A' ' 31' ' ' ILE . . . -101.96 113.32 26.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.754 0.311 . . . . 70.319999999999993 111.09 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.719 HD12 ' O ' ' C' ' 30' ' ' ALA . 0.2 OUTLIER -127.31 116.84 45.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 74.25 111.101 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.551 HG21 ' HG3' ' B' ' 35' ' ' MET . 5.6 mt -131.42 120.19 45.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 70.510000000000005 111.143 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.53 -55.53 16.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.684 -0.77 . . . . 54.039999999999999 112.505 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.845 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -155.58 151.14 27.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 74.040000000000006 110.939 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.551 ' HG3' HG21 ' B' ' 32' ' ' ILE . 10.1 mtp -131.91 123.21 26.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 71.510000000000005 110.875 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.851 HG11 HG11 ' G' ' 36' ' ' VAL . 44.6 t -130.2 117.68 41.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 62.310000000000002 111.151 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.34 26.43 61.7 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.771 -0.728 . . . . 70.209999999999994 112.464 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.37 157.15 21.62 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 70.400000000000006 112.483 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.749 HG22 HG12 ' C' ' 39' ' ' VAL . 10.4 m -123.55 177.37 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 73.239999999999995 111.163 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.703 ' HA ' HG22 ' C' ' 40' ' ' VAL . 16.8 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 72.209999999999994 111.104 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.808 0.337 . . . . 72.329999999999998 110.875 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.15 84.03 2.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 71.329999999999998 111.135 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -53.49 -28.6 31.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 75.109999999999999 110.884 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 4' ' ' PHE . . . . . 0.695 ' CE2' ' HB2' ' H' ' 30' ' ' ALA . 1.4 m-85 -157.41 112.46 2.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 74.549999999999997 110.919 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.59 106.75 7.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 72.430000000000007 110.914 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -113.04 131.13 55.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 73.409999999999997 110.865 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -135.43 101.52 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 62.210000000000001 110.879 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 10.4 m -144.24 175.78 9.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 61.229999999999997 110.88 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.68 -10.11 47.89 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.788 -0.72 . . . . 61.32 112.475 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -172.39 112.72 0.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.872 0.368 . . . . 74.299999999999997 110.935 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.95 120.36 35.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 74.150000000000006 110.926 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 56.9 t -125.06 123.59 65.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 50.219999999999999 111.102 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -138.26 116.64 11.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 75.129999999999995 110.839 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -135.31 134.87 40.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 71.219999999999999 110.84 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -121.44 134.62 55.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 62.130000000000003 110.903 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.619 ' O ' HD22 ' C' ' 17' ' ' LEU . 8.5 tptm -123.15 117.88 26.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 60.299999999999997 110.896 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.638 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.6 mm? -128.91 103.25 6.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 73.140000000000001 110.893 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.855 HG12 ' HB2' ' C' ' 21' ' ' ALA . 1.4 t -112.01 114.33 46.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 74.319999999999993 111.106 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.472 ' HE1' HD12 ' C' ' 17' ' ' LEU . 3.0 m-85 -107.89 136.2 48.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 72.319999999999993 110.897 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.711 ' HE1' HG22 ' C' ' 31' ' ' ILE . 21.9 m-85 60.87 35.56 19.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 71.430000000000007 110.919 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.855 ' HB2' HG12 ' C' ' 18' ' ' VAL . . . -87.49 124.75 33.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 72.010000000000005 111.103 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.0 73.46 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 63.140000000000001 110.891 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 5.7 p -140.18 139.17 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 75.230000000000004 111.164 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.8 -91.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 64.239999999999995 112.487 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 26.7 m -123.82 143.1 50.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 40.340000000000003 110.882 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -102.18 99.92 10.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.140000000000001 110.874 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.17 170.57 8.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 74.409999999999997 110.915 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.81 -127.79 28.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 73.129999999999995 112.453 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.719 ' O ' HD12 ' B' ' 31' ' ' ILE . . . -102.0 112.95 25.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.736 0.303 . . . . 60.039999999999999 111.089 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.714 HD12 ' O ' ' D' ' 30' ' ' ALA . 0.2 OUTLIER -126.63 116.29 44.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 64.319999999999993 111.12 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.575 HG21 ' HG3' ' C' ' 35' ' ' MET . 5.4 mt -130.35 119.78 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 74.340000000000003 111.099 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.87 -56.17 12.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 33.32 112.483 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.865 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -154.16 149.73 27.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.812 0.339 . . . . 73.420000000000002 110.925 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.575 ' HG3' HG21 ' C' ' 32' ' ' ILE . 10.3 mtp -130.41 122.69 28.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 72.329999999999998 110.889 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.933 HG11 HG11 ' H' ' 36' ' ' VAL . 47.5 t -131.58 117.87 36.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.267 -0.424 . . . . 73.439999999999998 111.089 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.12 27.2 57.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 53.439999999999998 112.524 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.53 157.06 21.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.742 -0.742 . . . . 72.349999999999994 112.531 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.791 HG22 HG12 ' D' ' 39' ' ' VAL . 9.0 m -123.32 177.16 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 62.119999999999997 111.17 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.728 ' HA ' HG22 ' D' ' 40' ' ' VAL . 16.7 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 74.129999999999995 111.138 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.821 0.343 . . . . 73.310000000000002 110.878 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.26 84.92 3.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 63.329999999999998 111.087 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.65 -27.47 27.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 53.329999999999998 110.855 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 4' ' ' PHE . . . . . 0.669 ' CE2' ' HB2' ' I' ' 30' ' ' ALA . 1.5 m-85 -156.92 112.82 2.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 71.319999999999993 110.887 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.56 107.18 8.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 65.230000000000004 110.905 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -114.39 131.21 56.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 70.430000000000007 110.855 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -134.67 101.57 4.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 73.409999999999997 110.858 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 10.0 m -144.39 174.67 10.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 71.239999999999995 110.853 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.02 -9.32 48.97 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.718 -0.753 . . . . 63.420000000000002 112.485 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -172.16 113.5 0.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 75.5 110.961 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.45 121.22 36.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 73.310000000000002 110.872 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 53.7 t -124.65 122.79 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 71.200000000000003 111.159 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -138.56 116.79 11.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 72.200000000000003 110.869 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -136.29 135.48 38.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 70.239999999999995 110.851 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -122.65 134.88 54.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 71.219999999999999 110.902 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.657 ' O ' HD22 ' D' ' 17' ' ' LEU . 8.6 tptm -121.81 116.7 24.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 75.010000000000005 110.829 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.657 HD22 ' O ' ' D' ' 16' ' ' LYS . 4.6 mm? -130.37 103.43 6.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 71.019999999999996 110.93 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.841 HG12 ' HB2' ' D' ' 21' ' ' ALA . 0.9 OUTLIER -112.91 117.1 54.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 71.420000000000002 111.094 179.867 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.477 ' HE1' HD12 ' D' ' 17' ' ' LEU . 1.9 m-85 -108.92 136.72 48.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 64.129999999999995 110.865 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.701 ' HE1' HG22 ' D' ' 31' ' ' ILE . 19.7 m-85 59.24 34.7 23.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 53.509999999999998 110.823 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 21' ' ' ALA . . . . . 0.841 ' HB2' HG12 ' D' ' 18' ' ' VAL . . . -88.33 125.4 34.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 74.519999999999996 111.113 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.71 72.37 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 64.129999999999995 110.804 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 p -140.15 138.01 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 54.43 111.11 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.23 -91.2 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 62.340000000000003 112.502 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 26.5 m -123.72 142.75 50.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 73.420000000000002 110.901 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -101.96 99.75 9.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 73.209999999999994 110.924 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.69 170.83 8.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 64.310000000000002 110.937 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.07 -127.83 29.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 71.150000000000006 112.489 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.714 ' O ' HD12 ' C' ' 31' ' ' ILE . . . -102.52 112.83 25.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.714 0.292 . . . . 72.129999999999995 111.097 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.701 HG22 ' HE1' ' D' ' 20' ' ' PHE . 0.2 OUTLIER -126.99 116.69 45.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 72.319999999999993 111.145 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.671 HG21 ' HG3' ' D' ' 35' ' ' MET . 5.3 mt -129.9 119.51 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 74.420000000000002 111.118 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.65 -57.48 9.47 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 45.219999999999999 112.506 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.867 HD22 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -152.56 147.65 26.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.864 0.364 . . . . 64.430000000000007 110.898 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.671 ' HG3' HG21 ' D' ' 32' ' ' ILE . 10.8 mtp -130.99 122.41 26.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 71.010000000000005 110.874 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.898 HG11 HG11 ' I' ' 36' ' ' VAL . 48.3 t -132.58 116.39 27.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 64.120000000000005 111.142 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.53 27.51 61.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 71.129999999999995 112.498 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.88 158.4 21.39 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 70.409999999999997 112.492 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.884 HG22 HG12 ' E' ' 39' ' ' VAL . 6.4 m -122.43 177.35 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.865 0.364 . . . . 73.049999999999997 111.112 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.74 ' HA ' HG22 ' E' ' 40' ' ' VAL . 17.7 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 73.219999999999999 111.116 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.833 0.349 . . . . 75.239999999999995 110.854 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.82 84.42 3.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 53.329999999999998 111.123 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 3' ' ' GLU . . . . . 0.402 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . 1.5 mp0 -53.13 -27.92 23.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 64.019999999999996 110.895 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 4' ' ' PHE . . . . . 0.599 ' CE2' ' HB2' ' J' ' 30' ' ' ALA . 1.6 m-85 -155.56 114.01 3.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 74.430000000000007 110.913 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.89 106.57 8.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 72.439999999999998 110.849 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -116.21 131.28 56.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 75.120000000000005 110.869 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -132.86 101.11 5.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 75.109999999999999 110.905 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 9.7 m -145.44 170.86 15.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 64.439999999999998 110.876 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.78 -8.51 51.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 55.32 112.477 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -170.99 112.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 75.420000000000002 110.943 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -96.19 121.65 38.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 73.510000000000005 110.887 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -123.49 122.74 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 72.010000000000005 111.078 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -139.31 115.38 10.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 60.409999999999997 110.866 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 31.0 m80 -136.21 135.93 39.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 73.219999999999999 110.9 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -122.56 138.45 54.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 72.439999999999998 110.887 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 16' ' ' LYS . . . . . 0.685 ' O ' HD22 ' E' ' 17' ' ' LEU . 8.2 tptm -122.67 114.85 21.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 73.329999999999998 110.843 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.685 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.5 mm? -130.68 105.64 7.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 50.210000000000001 110.903 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.81 HG12 ' HB2' ' E' ' 21' ' ' ALA . 0.2 OUTLIER -113.39 120.19 62.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 74.129999999999995 111.123 179.799 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.5 ' HE1' HD12 ' E' ' 17' ' ' LEU . 1.7 m-85 -110.85 134.84 52.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 73.439999999999998 110.836 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.622 ' HE1' HG22 ' E' ' 31' ' ' ILE . 22.4 m-85 57.01 35.3 26.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 74.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 21' ' ' ALA . . . . . 0.81 ' HB2' HG12 ' E' ' 18' ' ' VAL . . . -90.6 127.17 36.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 74.540000000000006 111.117 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.99 72.56 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 73.230000000000004 110.849 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 p -140.78 136.02 34.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 74.329999999999998 111.092 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.28 -90.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 63.520000000000003 112.45 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 25.1 m -124.72 140.95 52.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.947 0.403 . . . . 70.420000000000002 110.798 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -101.32 99.71 10.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 65.010000000000005 110.857 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.59 170.8 8.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 64.230000000000004 110.909 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.71 -128.62 33.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 42.25 112.501 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.694 ' O ' HD12 ' D' ' 31' ' ' ILE . . . -103.43 113.38 26.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 61.210000000000001 111.102 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.622 HG22 ' HE1' ' E' ' 20' ' ' PHE . 0.3 OUTLIER -128.26 116.75 43.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 75.319999999999993 111.132 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.654 HG21 ' HG3' ' E' ' 35' ' ' MET . 5.2 mt -126.16 120.61 57.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 52.329999999999998 111.128 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 33' ' ' GLY . . . . . 0.454 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -51.47 -54.23 25.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.751 . . . . 64.129999999999995 112.516 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.813 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -152.98 150.85 29.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 71.540000000000006 110.918 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.654 ' HG3' HG21 ' E' ' 32' ' ' ILE . 10.9 mtp -134.63 120.47 19.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 64.140000000000001 110.84 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.747 HG11 HG11 ' J' ' 36' ' ' VAL . 47.1 t -134.26 115.26 20.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 65.329999999999998 111.107 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.49 27.63 54.37 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 72.120000000000005 112.538 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.05 159.99 21.25 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 75.420000000000002 112.421 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.884 HG12 HG22 ' D' ' 39' ' ' VAL . 10.8 m -123.17 178.66 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.366 . . . . 63.240000000000002 111.14 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.74 HG22 ' HA ' ' D' ' 40' ' ' VAL . 18.2 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 71.400000000000006 111.14 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.824 0.345 . . . . 61.140000000000001 110.869 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.6 83.89 3.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 41.310000000000002 111.109 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -52.31 -31.69 34.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 70.409999999999997 110.884 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 4' ' ' PHE . . . . . 0.668 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 1.5 m-85 -156.69 114.53 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 74.319999999999993 110.838 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.06 108.31 7.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 74.420000000000002 110.887 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -112.14 130.47 55.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 73.049999999999997 110.861 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -135.02 101.85 5.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 65.439999999999998 110.878 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 10.6 m -145.3 176.01 9.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 73.409999999999997 110.861 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.19 -9.9 50.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 74.230000000000004 112.49 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.23 114.74 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.878 0.37 . . . . 72.019999999999996 110.941 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -97.28 119.89 36.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 74.329999999999998 110.874 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 53.7 t -126.75 125.2 66.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 63.210000000000001 111.139 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -137.59 118.58 14.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 61.329999999999998 110.854 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -136.57 132.67 35.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 63.229999999999997 110.862 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -122.78 133.4 54.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 75.230000000000004 110.937 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 16' ' ' LYS . . . . . 0.572 ' O ' HD22 ' F' ' 17' ' ' LEU . 8.7 tptm -128.43 119.05 24.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 73.510000000000005 110.904 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.631 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.5 mm? -126.95 103.38 7.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 74.439999999999998 110.92 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.625 HG12 ' HB2' ' F' ' 21' ' ' ALA . 2.1 t -109.75 111.74 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 75.140000000000001 111.142 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.443 ' HE1' HD12 ' F' ' 17' ' ' LEU . 7.0 m-85 -103.47 141.15 36.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 61.329999999999998 110.896 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 20' ' ' PHE . . . . . 0.707 ' HE1' HG22 ' F' ' 31' ' ' ILE . 17.1 m-85 62.63 35.78 14.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 75.319999999999993 110.923 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 21' ' ' ALA . . . . . 0.625 ' HB2' HG12 ' F' ' 18' ' ' VAL . . . -87.42 126.97 35.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 42.119999999999997 111.103 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.26 71.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 61.549999999999997 110.9 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 p -139.27 139.77 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 52.299999999999997 111.12 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.61 -92.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 72.340000000000003 112.444 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 26.8 m -124.05 142.63 51.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.911 0.386 . . . . 64.230000000000004 110.835 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 3.2 m120 -98.85 99.06 10.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 74.430000000000007 110.893 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.0 168.79 9.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 74.340000000000003 110.943 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.9 -127.29 23.79 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 73.099999999999994 112.51 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.666 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . . . -100.59 114.19 27.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.719 0.295 . . . . 72.310000000000002 111.126 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.707 HG22 ' HE1' ' F' ' 20' ' ' PHE . 0.2 OUTLIER -128.16 119.01 49.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 74.420000000000002 111.144 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' F' F ' 32' ' ' ILE . . . . . 0.628 HG21 ' HG3' ' F' ' 35' ' ' MET . 6.4 mt -134.32 118.65 27.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 65.150000000000006 111.134 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.61 -54.82 15.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 54.25 112.497 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.833 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -159.24 151.93 21.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.791 0.329 . . . . 73.200000000000003 110.922 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' F' F ' 35' ' ' MET . . . . . 0.628 ' HG3' HG21 ' F' ' 32' ' ' ILE . 11.0 mtp -134.06 127.18 31.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 70.230000000000004 110.881 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.979 HG21 HG11 ' A' ' 36' ' ' VAL . 45.8 t -129.99 119.18 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 64.400000000000006 111.135 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.58 25.57 63.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 62.100000000000001 112.499 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.89 157.03 21.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 51.200000000000003 112.501 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.655 HG22 HG12 ' G' ' 39' ' ' VAL . 11.8 m -123.58 177.46 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 73.209999999999994 111.156 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.721 ' HA ' HG22 ' G' ' 40' ' ' VAL . 20.0 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 75.349999999999994 111.147 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.816 0.341 . . . . 73.030000000000001 110.873 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.46 84.95 3.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 71.430000000000007 111.075 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -51.62 -30.6 22.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 71.239999999999995 110.904 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 4' ' ' PHE . . . . . 0.698 ' CE2' ' HB2' ' B' ' 30' ' ' ALA . 1.6 m-85 -157.46 113.94 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 73.319999999999993 110.846 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.62 107.44 7.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 73.109999999999999 110.866 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -112.17 129.95 56.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 63.329999999999998 110.862 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -134.71 101.62 5.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 74.030000000000001 110.866 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 10.4 m -144.68 175.84 9.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 72.129999999999995 110.878 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.79 -10.09 47.59 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.796 -0.716 . . . . 45.130000000000003 112.534 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -172.31 113.03 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.872 0.368 . . . . 73.540000000000006 110.924 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -94.87 120.08 34.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 52.229999999999997 110.901 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 56.6 t -125.54 123.73 65.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 75.219999999999999 111.142 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -138.29 117.85 13.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 73.420000000000002 110.835 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -136.8 133.26 35.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 75.310000000000002 110.835 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -120.31 133.89 55.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 73.209999999999994 110.892 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 16' ' ' LYS . . . . . 0.581 ' O ' HD22 ' G' ' 17' ' ' LEU . 8.6 tptm -124.61 118.61 26.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 71.319999999999993 110.889 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.632 ' HB2' HD13 ' H' ' 17' ' ' LEU . 4.5 mm? -127.71 103.74 7.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 41.119999999999997 110.89 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.832 HG12 ' HB2' ' G' ' 21' ' ' ALA . 1.7 t -110.99 113.4 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 74.150000000000006 111.124 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.476 ' CE1' HD12 ' G' ' 17' ' ' LEU . 4.4 m-85 -107.45 136.83 46.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 73.540000000000006 110.886 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 0.706 ' HE1' HG22 ' G' ' 31' ' ' ILE . 20.7 m-85 62.35 35.06 15.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 73.310000000000002 110.853 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 21' ' ' ALA . . . . . 0.832 ' HB2' HG12 ' G' ' 18' ' ' VAL . . . -87.25 125.56 34.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 71.409999999999997 111.109 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.73 72.47 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 53.229999999999997 110.875 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 5.3 p -139.69 139.7 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 72.129999999999995 111.126 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.63 -91.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 60.539999999999999 112.462 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 27.3 m -123.32 142.77 50.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 71.519999999999996 110.836 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -101.78 99.5 9.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 63.149999999999999 110.875 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.78 170.22 8.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 75.519999999999996 110.871 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.32 -128.07 26.75 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 51.43 112.503 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.704 ' HB2' ' CE2' ' B' ' 4' ' ' PHE . . . -101.22 113.71 27.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.747 0.308 . . . . 64.549999999999997 111.102 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.724 HD12 ' O ' ' H' ' 30' ' ' ALA . 0.2 OUTLIER -126.68 117.53 48.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 74.209999999999994 111.149 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.57 HG21 ' HG3' ' G' ' 35' ' ' MET . 5.8 mt -131.47 120.12 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 51.420000000000002 111.134 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.01 -55.67 17.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.782 -0.723 . . . . 72.120000000000005 112.469 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.861 HD22 ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -155.54 151.09 27.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.885 0.374 . . . . 73.549999999999997 110.895 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.57 ' HG3' HG21 ' G' ' 32' ' ' ILE . 9.8 mtp -131.59 122.94 26.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 64.25 110.909 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.851 HG11 HG11 ' B' ' 36' ' ' VAL . 43.7 t -130.59 118.02 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 62.140000000000001 111.1 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.77 26.27 60.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 63.130000000000003 112.479 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.15 157.12 21.54 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 73.340000000000003 112.528 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.724 HG22 HG12 ' H' ' 39' ' ' VAL . 9.4 m -123.79 177.72 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 74.230000000000004 111.165 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.727 ' HA ' HG22 ' H' ' 40' ' ' VAL . 17.3 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 61.420000000000002 111.168 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.794 0.331 . . . . 75.430000000000007 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.23 84.83 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 65.329999999999998 111.067 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -51.06 -30.83 16.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 63.530000000000001 110.856 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 4' ' ' PHE . . . . . 0.691 ' CE2' ' HB2' ' C' ' 30' ' ' ALA . 1.6 m-85 -157.4 114.27 2.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 74.400000000000006 110.847 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.99 107.28 8.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 74.310000000000002 110.829 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -112.55 129.84 56.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 74.409999999999997 110.856 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -134.58 101.64 5.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 74.129999999999995 110.923 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 10.2 m -144.48 175.4 10.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 60.420000000000002 110.862 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.58 -10.17 48.05 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.815 -0.707 . . . . 73.549999999999997 112.497 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -172.37 112.88 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.834 0.35 . . . . 72.109999999999999 110.887 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.32 120.22 34.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 53.520000000000003 110.878 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 58.5 t -124.76 123.49 65.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 74.129999999999995 111.124 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -138.64 117.43 12.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 63.32 110.869 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -136.26 135.08 38.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 73.319999999999993 110.893 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -121.47 134.61 55.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 72.340000000000003 110.932 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 16' ' ' LYS . . . . . 0.617 ' O ' HD22 ' H' ' 17' ' ' LEU . 8.4 tptm -123.36 117.32 24.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 73.219999999999999 110.931 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.632 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.6 mm? -128.93 103.25 6.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 71.430000000000007 110.956 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.838 HG12 ' HB2' ' H' ' 21' ' ' ALA . 1.4 t -112.34 114.48 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 75.299999999999997 111.155 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.467 ' HE1' HD12 ' H' ' 17' ' ' LEU . 2.9 m-85 -107.82 136.23 47.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 74.140000000000001 110.877 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 20' ' ' PHE . . . . . 0.708 ' HE1' HG22 ' H' ' 31' ' ' ILE . 21.5 m-85 60.91 35.33 19.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 72.140000000000001 110.903 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 21' ' ' ALA . . . . . 0.838 ' HB2' HG12 ' H' ' 18' ' ' VAL . . . -87.8 125.7 34.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 72.439999999999998 111.105 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.82 72.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 64.219999999999999 110.845 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 p -139.98 138.83 37.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 73.340000000000003 111.161 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.06 -91.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 73.239999999999995 112.482 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 26.7 m -123.26 142.36 51.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 72.219999999999999 110.835 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -101.99 99.61 9.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 64.310000000000002 110.93 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.44 171.0 7.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 53.240000000000002 110.875 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.67 -128.8 29.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.73 . . . . 72.120000000000005 112.435 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 30' ' ' ALA . . . . . 0.724 ' O ' HD12 ' G' ' 31' ' ' ILE . . . -101.42 113.17 26.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 73.219999999999999 111.142 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.728 HD12 ' O ' ' I' ' 30' ' ' ALA . 0.2 OUTLIER -126.4 117.15 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 73.120000000000005 111.112 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' H' H ' 32' ' ' ILE . . . . . 0.562 HG21 ' HG3' ' H' ' 35' ' ' MET . 5.5 mt -130.42 119.64 46.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 65.019999999999996 111.168 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.89 -56.78 10.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.741 . . . . 70.439999999999998 112.506 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.863 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -153.89 149.25 27.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 72.430000000000007 110.934 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' H' H ' 35' ' ' MET . . . . . 0.562 ' HG3' HG21 ' H' ' 32' ' ' ILE . 10.7 mtp -129.87 122.26 28.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 34.200000000000003 110.86 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.933 HG11 HG11 ' C' ' 36' ' ' VAL . 45.6 t -131.61 117.84 36.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 73.519999999999996 111.163 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.27 26.88 57.08 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 72.439999999999998 112.445 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.28 156.95 21.09 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.735 -0.745 . . . . 75.329999999999998 112.505 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.766 HG22 HG12 ' I' ' 39' ' ' VAL . 6.3 m -123.55 177.12 4.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 70.310000000000002 111.119 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' H' H ' 40' ' ' VAL . . . . . 0.739 ' HA ' HG22 ' I' ' 40' ' ' VAL . 17.0 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 74.129999999999995 111.088 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.818 0.342 . . . . 61.229999999999997 110.843 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.33 84.74 3.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 73.430000000000007 111.119 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -51.43 -30.49 19.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 74.409999999999997 110.866 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 4' ' ' PHE . . . . . 0.655 ' CE2' ' HB2' ' D' ' 30' ' ' ALA . 1.6 m-85 -157.28 114.13 3.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 75.040000000000006 110.892 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.02 107.68 8.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.230000000000004 110.883 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -113.53 130.17 56.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 72.120000000000005 110.853 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -134.16 101.81 5.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 72.109999999999999 110.883 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 10.2 m -145.05 174.68 10.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 73.099999999999994 110.857 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.48 -9.47 47.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.748 . . . . 63.109999999999999 112.532 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -172.22 113.12 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.857 0.36 . . . . 72.230000000000004 110.91 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -94.71 120.89 35.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 73.150000000000006 110.911 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 61.8 t -124.44 122.24 63.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 75.239999999999995 111.141 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -138.19 117.39 12.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.138 -0.483 . . . . 64.099999999999994 110.831 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -136.93 135.29 37.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 64.549999999999997 110.855 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -122.6 135.03 54.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 52.530000000000001 110.912 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 16' ' ' LYS . . . . . 0.671 ' O ' HD22 ' I' ' 17' ' ' LEU . 8.6 tptm -121.71 116.58 24.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 73.25 110.874 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.671 HD22 ' O ' ' I' ' 16' ' ' LYS . 4.6 mm? -130.44 103.13 6.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 63.219999999999999 110.947 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 18' ' ' VAL . . . . . 0.832 HG12 ' HB2' ' I' ' 21' ' ' ALA . 0.8 OUTLIER -113.03 117.41 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 73.129999999999995 111.144 179.871 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' I' I ' 19' ' ' PHE . . . . . 0.478 ' HE1' HD12 ' I' ' 17' ' ' LEU . 1.9 m-85 -109.08 136.38 48.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 75.310000000000002 110.915 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 20' ' ' PHE . . . . . 0.682 ' HE1' HG22 ' I' ' 31' ' ' ILE . 19.8 m-85 59.67 34.23 22.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 74.129999999999995 110.911 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 21' ' ' ALA . . . . . 0.832 ' HB2' HG12 ' I' ' 18' ' ' VAL . . . -88.38 126.36 35.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 50.329999999999998 111.069 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.31 72.44 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 74.549999999999997 110.883 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 p -140.49 137.72 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 71.299999999999997 111.154 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.28 -91.41 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 40.030000000000001 112.519 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 25.9 m -123.19 141.74 51.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.359 . . . . 74.040000000000006 110.86 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -101.61 99.49 9.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 63.509999999999998 110.884 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.38 171.4 7.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 45.32 110.918 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.96 -129.06 30.93 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 62.43 112.472 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.728 ' O ' HD12 ' H' ' 31' ' ' ILE . . . -101.7 113.27 26.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.76 0.314 . . . . 74.319999999999993 111.075 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.705 HD12 ' O ' ' J' ' 30' ' ' ALA . 0.2 OUTLIER -126.73 117.22 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 73.340000000000003 111.145 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' I' I ' 32' ' ' ILE . . . . . 0.669 HG21 ' HG3' ' I' ' 35' ' ' MET . 5.4 mt -129.75 119.26 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 70.219999999999999 111.114 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.85 -58.14 8.88 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 74.319999999999993 112.454 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.872 HD22 ' O ' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -152.29 147.61 26.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.793 0.33 . . . . 73.409999999999997 110.949 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' I' I ' 35' ' ' MET . . . . . 0.669 ' HG3' HG21 ' I' ' 32' ' ' ILE . 11.1 mtp -130.55 121.88 26.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 73.439999999999998 110.893 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.898 HG11 HG11 ' D' ' 36' ' ' VAL . 47.1 t -132.66 117.38 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 73.420000000000002 111.148 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.98 26.72 58.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 40.409999999999997 112.499 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.86 157.98 21.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.791 -0.719 . . . . 45.100000000000001 112.492 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 0.864 HG22 HG12 ' J' ' 39' ' ' VAL . 5.2 m -123.52 178.11 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.36 . . . . 64.120000000000005 111.143 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' I' I ' 40' ' ' VAL . . . . . 0.739 HG22 ' HA ' ' H' ' 40' ' ' VAL . 16.9 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 50.049999999999997 111.126 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.826 0.346 . . . . 74.329999999999998 110.841 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.12 83.49 3.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 61.32 111.072 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -51.74 -30.06 21.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 73.129999999999995 110.916 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' J' J ' 4' ' ' PHE . . . . . 0.627 ' CZ ' ' HB2' ' E' ' 30' ' ' ALA . 1.7 m-85 -157.55 114.61 2.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 75.140000000000001 110.875 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.98 107.34 8.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 63.119999999999997 110.883 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -115.73 130.48 56.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 73.140000000000001 110.867 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -132.78 101.55 5.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 74.200000000000003 110.857 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 10.2 m -145.66 170.6 16.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 70.5 110.824 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.01 -8.86 53.45 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.695 -0.764 . . . . 75.200000000000003 112.486 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -171.69 112.15 0.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.814 0.34 . . . . 72.010000000000005 110.912 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.32 121.68 37.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 73.099999999999994 110.915 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 57.2 t -123.61 122.6 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.239999999999995 111.134 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -139.07 116.21 11.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 71.540000000000006 110.871 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 30.4 m80 -136.84 135.66 38.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 74.120000000000005 110.873 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -122.63 138.34 54.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.540000000000006 110.906 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' J' J ' 16' ' ' LYS . . . . . 0.692 ' O ' HD22 ' J' ' 17' ' ' LEU . 8.2 tptm -122.53 114.87 21.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 73.200000000000003 110.892 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.692 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.5 mm? -130.67 105.48 7.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 71.5 110.892 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.772 HG12 ' HB2' ' J' ' 21' ' ' ALA . 0.2 OUTLIER -113.36 120.66 63.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 73.140000000000001 111.132 179.801 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.493 ' HE1' HD12 ' J' ' 17' ' ' LEU . 1.6 m-85 -111.21 134.27 52.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 62.219999999999999 110.898 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' J' J ' 20' ' ' PHE . . . . . 0.598 ' HE1' HG22 ' J' ' 31' ' ' ILE . 21.6 m-85 57.57 34.99 25.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 74.209999999999994 110.842 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' J' J ' 21' ' ' ALA . . . . . 0.772 ' HB2' HG12 ' J' ' 18' ' ' VAL . . . -90.89 128.33 36.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 70.450000000000003 111.082 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.49 73.14 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 74.439999999999998 110.825 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 p -141.63 136.03 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 62.409999999999997 111.182 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.4 -89.41 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 71.329999999999998 112.48 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 26.2 m -125.26 139.63 53.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 73.420000000000002 110.857 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -100.61 99.52 10.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 62.32 110.891 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.15 171.37 7.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 74.519999999999996 110.871 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' J' J ' 29' ' ' GLY . . . . . 0.402 ' HA2' ' HA ' ' E' ' 3' ' ' GLU . . . 51.78 -130.46 35.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 63.149999999999999 112.421 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 0.705 ' O ' HD12 ' I' ' 31' ' ' ILE . . . -102.67 113.07 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 63.240000000000002 111.107 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.598 HG22 ' HE1' ' J' ' 20' ' ' PHE . 0.3 OUTLIER -127.74 118.26 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 74.340000000000003 111.125 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' J' J ' 32' ' ' ILE . . . . . 0.637 HG21 ' HG3' ' J' ' 35' ' ' MET . 5.4 mt -126.16 120.45 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 71.150000000000006 111.144 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' J' J ' 33' ' ' GLY . . . . . 0.424 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -51.23 -54.72 22.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 73.519999999999996 112.481 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.831 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -152.9 150.57 29.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.348 . . . . 64.329999999999998 110.892 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' J' J ' 35' ' ' MET . . . . . 0.637 ' HG3' HG21 ' J' ' 32' ' ' ILE . 10.8 mtp -134.25 120.18 19.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 71.299999999999997 110.895 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.747 HG11 HG11 ' E' ' 36' ' ' VAL . 46.5 t -134.46 115.35 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 74.340000000000003 111.132 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.2 27.33 57.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 43.210000000000001 112.467 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.09 159.82 21.26 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 74.409999999999997 112.47 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.864 HG12 HG22 ' I' ' 39' ' ' VAL . 10.3 m -123.86 177.78 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.37 . . . . 12.01 111.13 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.732 HG22 ' HA ' ' I' ' 40' ' ' VAL . 18.2 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 75.299999999999997 111.117 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.83 0.347 . . . . 51.020000000000003 110.84 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.0 91.62 3.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 74.140000000000001 111.118 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.91 -38.73 83.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 63.219999999999999 110.865 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.687 ' CE1' ' HB2' ' F' ' 30' ' ' ALA . 4.7 m-85 -146.98 112.32 5.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 71.319999999999993 110.907 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.02 108.58 6.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 74.349999999999994 110.894 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -110.6 130.25 55.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 63.340000000000003 110.808 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -135.03 101.5 4.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 73.200000000000003 110.861 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' B' ' 8' ' ' SER . 54.9 p -148.8 177.38 9.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 74.239999999999995 110.883 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.97 -10.58 45.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 41.200000000000003 112.521 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.38 115.43 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 73.400000000000006 110.919 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -107.19 120.66 42.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 61.399999999999999 110.864 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 36.8 t -132.88 113.99 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 61.039999999999999 111.107 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 67.4 m170 -114.0 126.35 55.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 70.239999999999995 110.853 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -136.53 119.22 16.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 63.399999999999999 110.881 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.412 ' HB3' HG11 ' F' ' 39' ' ' VAL . 0.0 OUTLIER -131.43 133.67 45.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 74.219999999999999 110.941 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.569 ' HD3' HG13 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -129.84 116.59 18.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 72.530000000000001 110.885 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.466 HD12 ' HE1' ' A' ' 19' ' ' PHE . 3.8 mm? -112.86 112.59 24.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 72.329999999999998 110.92 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.726 HG12 ' CG2' ' B' ' 18' ' ' VAL . 27.6 m -115.88 120.53 65.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 74.400000000000006 111.107 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.466 ' HE1' HD12 ' A' ' 17' ' ' LEU . 9.4 m-30 -102.99 114.98 29.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 72.209999999999994 110.87 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.464 ' CE2' HG22 ' A' ' 31' ' ' ILE . 14.6 m-30 50.44 74.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 64.420000000000002 110.888 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.75 130.86 39.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 71.120000000000005 111.064 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 63.09 88.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.019999999999996 110.854 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.583 ' CG1' HG23 ' B' ' 24' ' ' VAL . 10.7 p -126.13 137.28 58.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 74.329999999999998 111.187 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.07 -45.68 96.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.758 . . . . 73.540000000000006 112.497 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 m -166.97 133.71 2.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.364 . . . . 71.0 110.842 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.405 ' OD1' HG21 ' A' ' 31' ' ' ILE . 24.0 m-20 -102.08 101.21 11.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 62.109999999999999 110.909 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.81 159.55 20.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 61.350000000000001 110.895 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.95 -130.64 42.41 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 72.310000000000002 112.505 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.679 ' HB2' ' CE1' ' F' ' 4' ' ' PHE . . . -101.76 114.4 28.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.761 0.315 . . . . 53.240000000000002 111.097 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.864 HD13 HG23 ' B' ' 31' ' ' ILE . 0.2 OUTLIER -121.5 111.61 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 71.0 111.114 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -128.5 111.26 23.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 62.049999999999997 111.106 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -45.21 -52.39 8.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.753 -0.737 . . . . 43.009999999999998 112.446 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.808 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -158.27 155.4 28.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.775 0.322 . . . . 74.400000000000006 110.928 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -133.62 126.06 30.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 53.25 110.931 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.498 HG11 HG11 ' F' ' 36' ' ' VAL . 3.2 p -134.49 111.64 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 60.340000000000003 111.138 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.63 18.49 70.13 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.724 . . . . 71.450000000000003 112.469 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.46 -165.19 27.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 33.439999999999998 112.522 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.741 HG13 HG23 ' B' ' 39' ' ' VAL . 6.8 p -168.57 142.84 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.881 0.372 . . . . 64.120000000000005 111.154 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.622 HG12 HG22 ' B' ' 40' ' ' VAL . 31.8 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 55.109999999999999 111.133 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.793 0.33 . . . . 73.530000000000001 110.921 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.81 91.62 3.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 53.350000000000001 111.09 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -59.27 -37.21 77.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 64.540000000000006 110.887 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.686 ' CE1' ' HB2' ' G' ' 30' ' ' ALA . 5.7 m-85 -148.34 111.89 5.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 64.450000000000003 110.882 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.73 108.32 7.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 73.530000000000001 110.853 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -110.97 129.39 55.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 53.5 110.875 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -134.38 101.19 4.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 60.5 110.853 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' C' ' 8' ' ' SER . 55.0 p -148.9 176.82 10.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 71.230000000000004 110.85 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.32 -10.98 43.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.684 -0.77 . . . . 74.340000000000003 112.498 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.44 113.88 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 53.299999999999997 110.897 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -104.74 120.33 41.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 71.310000000000002 110.88 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 36.1 t -131.37 113.87 24.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 72.420000000000002 111.136 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 67.5 m170 -114.53 126.36 54.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 70.439999999999998 110.848 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -136.61 120.03 16.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 73.140000000000001 110.8 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.06 133.13 45.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 71.310000000000002 110.923 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.479 ' HD3' HG13 ' B' ' 18' ' ' VAL . 0.1 OUTLIER -126.85 118.73 25.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 74.099999999999994 110.917 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.52 HD12 ' HE1' ' B' ' 19' ' ' PHE . 3.4 mm? -117.58 111.73 19.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 61.240000000000002 110.944 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.726 ' CG2' HG12 ' A' ' 18' ' ' VAL . 29.4 m -117.43 120.98 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 73.450000000000003 111.131 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.52 ' HE1' HD12 ' B' ' 17' ' ' LEU . 5.1 m-30 -101.86 116.65 33.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 72.439999999999998 110.855 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.664 ' CE2' HG22 ' B' ' 31' ' ' ILE . 13.9 m-30 50.64 73.22 0.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 75.140000000000001 110.929 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.49 131.32 37.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 43.539999999999999 111.092 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.61 88.18 0.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 63.130000000000003 110.888 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.605 ' CG1' HG23 ' C' ' 24' ' ' VAL . 12.4 p -127.25 135.6 63.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 51.030000000000001 111.159 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.87 -44.5 97.35 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 74.209999999999994 112.46 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 9.4 m -166.59 133.75 2.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.908 0.385 . . . . 74.409999999999997 110.835 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -102.47 101.1 11.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 72.230000000000004 110.871 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.1 160.05 20.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 63.119999999999997 110.876 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.88 -131.12 39.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 71.239999999999995 112.468 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.689 ' O ' HD12 ' A' ' 31' ' ' ILE . . . -101.79 114.19 28.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.74 0.305 . . . . 62.329999999999998 111.123 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.864 HG23 HD13 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -122.31 111.37 30.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 53.32 111.154 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 mt -127.03 112.97 30.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 65.0 111.146 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.2 -54.26 6.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.763 . . . . 54.509999999999998 112.501 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.816 ' N ' HD13 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -155.09 153.65 31.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.344 . . . . 63.329999999999998 110.873 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.8 mtp -128.13 122.44 31.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 65.450000000000003 110.861 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.451 ' O ' HG13 ' B' ' 36' ' ' VAL . 3.4 p -137.0 111.61 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 75.019999999999996 111.124 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.64 18.67 66.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 52.520000000000003 112.488 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.09 -165.55 27.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.7 -0.762 . . . . 75.340000000000003 112.454 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.76 HG13 HG23 ' C' ' 39' ' ' VAL . 6.9 p -168.15 141.53 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.917 0.389 . . . . 63.009999999999998 111.104 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.622 HG22 HG12 ' A' ' 40' ' ' VAL . 24.3 m . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 72.310000000000002 111.139 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.837 0.351 . . . . 60.25 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.29 92.02 3.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 62.100000000000001 111.116 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -59.93 -36.21 76.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 72.299999999999997 110.927 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 4' ' ' PHE . . . . . 0.689 ' CE1' ' HB2' ' H' ' 30' ' ' ALA . 5.6 m-85 -148.29 111.87 5.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 74.310000000000002 110.888 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.26 107.87 8.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 75.430000000000007 110.867 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -112.27 128.75 56.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 72.420000000000002 110.864 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -133.71 101.58 5.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 74.230000000000004 110.847 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 8' ' ' SER . . . . . 0.441 ' O ' ' HA ' ' D' ' 8' ' ' SER . 54.8 p -148.78 176.38 10.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 75.129999999999995 110.838 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.73 -10.83 42.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 63.5 112.485 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.47 113.6 0.28 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.817 0.341 . . . . 73.230000000000004 110.941 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -105.02 120.7 42.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 71.420000000000002 110.851 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 38.3 t -131.99 114.16 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 74.439999999999998 111.127 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -114.14 126.78 55.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 74.239999999999995 110.872 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -136.29 120.35 17.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 61.509999999999998 110.863 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 15' ' ' GLN . . . . . 0.405 ' NE2' HD23 ' C' ' 17' ' ' LEU . 0.0 OUTLIER -131.76 132.87 44.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 64.319999999999993 110.939 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.92 119.31 28.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 71.140000000000001 110.877 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.498 HD12 ' HE1' ' C' ' 19' ' ' PHE . 3.7 mm? -119.41 111.01 17.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 73.409999999999997 110.879 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.717 ' CG2' HG12 ' B' ' 18' ' ' VAL . 26.8 m -117.87 121.5 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 74.120000000000005 111.162 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.498 ' HE1' HD12 ' C' ' 17' ' ' LEU . 4.0 m-30 -101.77 115.04 29.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 75.140000000000001 110.91 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.724 ' CE2' HG22 ' C' ' 31' ' ' ILE . 13.0 m-30 51.77 73.11 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 65.040000000000006 110.884 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.64 130.81 38.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 43.340000000000003 111.095 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.49 87.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 75.200000000000003 110.875 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.608 ' CG1' HG23 ' D' ' 24' ' ' VAL . 12.9 p -126.94 135.78 62.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 74.219999999999999 111.115 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.87 -44.89 96.76 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.702 -0.761 . . . . 73.129999999999995 112.468 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 9.6 m -166.5 133.7 2.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 73.439999999999998 110.852 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -102.48 101.02 11.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 74.400000000000006 110.847 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.93 160.22 19.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 72.430000000000007 110.922 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.42 -131.26 38.19 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 71.349999999999994 112.471 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.708 ' O ' HD12 ' B' ' 31' ' ' ILE . . . -101.86 113.61 26.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 52.520000000000003 111.061 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.806 HG23 HD13 ' B' ' 31' ' ' ILE . 0.2 OUTLIER -122.69 111.46 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 72.409999999999997 111.086 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mt -126.15 113.3 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 63.119999999999997 111.157 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -43.61 -55.0 5.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.8 -0.714 . . . . 74.040000000000006 112.482 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.828 ' N ' HD13 ' C' ' 34' ' ' LEU . 0.0 OUTLIER -153.54 152.58 31.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 72.530000000000001 110.922 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -127.96 121.2 29.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 73.230000000000004 110.849 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.443 ' O ' HG13 ' C' ' 36' ' ' VAL . 3.3 p -138.08 112.4 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 70.340000000000003 111.168 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.89 19.29 65.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 41.43 112.498 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.84 -165.17 28.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 32.030000000000001 112.506 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.76 HG23 HG13 ' B' ' 39' ' ' VAL . 6.5 p -167.88 141.11 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.914 0.388 . . . . 70.239999999999995 111.111 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.608 HG22 HG12 ' B' ' 40' ' ' VAL . 25.0 m . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 73.409999999999997 111.137 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.787 0.327 . . . . 75.209999999999994 110.836 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.35 91.99 3.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 70.5 111.085 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -59.64 -35.81 75.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 63.399999999999999 110.889 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 4' ' ' PHE . . . . . 0.672 ' CE1' ' HB2' ' I' ' 30' ' ' ALA . 5.8 m-85 -148.31 111.63 4.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 75.540000000000006 110.9 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.54 107.58 8.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 75.099999999999994 110.87 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -113.58 128.2 56.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 75.120000000000005 110.896 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -132.73 101.59 5.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 71.299999999999997 110.882 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 8' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' C' ' 8' ' ' SER . 55.0 p -148.74 175.41 11.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 65.439999999999998 110.905 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.91 -10.53 42.71 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.807 -0.711 . . . . 72.439999999999998 112.525 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.28 113.88 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.354 . . . . 65.430000000000007 110.923 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -106.48 121.17 43.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 74.310000000000002 110.922 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 38.8 t -132.6 114.41 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 50.399999999999999 111.137 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -114.1 126.54 55.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 75.200000000000003 110.889 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -135.3 121.4 20.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 64.129999999999995 110.895 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 15' ' ' GLN . . . . . 0.421 ' NE2' HD23 ' D' ' 17' ' ' LEU . 0.0 OUTLIER -132.55 133.22 43.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 73.150000000000006 110.918 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.6 118.95 28.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 74.420000000000002 110.912 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.479 HD12 ' HE1' ' D' ' 19' ' ' PHE . 3.6 mm? -120.68 110.56 16.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 74.340000000000003 110.924 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.692 HG12 ' CG2' ' E' ' 18' ' ' VAL . 27.4 m -117.67 122.57 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 71.230000000000004 111.148 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.479 ' HE1' HD12 ' D' ' 17' ' ' LEU . 3.1 m-30 -102.16 112.94 25.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 74.340000000000003 110.903 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.763 ' CE2' HG22 ' D' ' 31' ' ' ILE . 13.7 m-30 52.67 72.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 65.219999999999999 110.866 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.54 130.4 38.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 44.310000000000002 111.079 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.49 87.31 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 73.450000000000003 110.819 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.641 ' CG1' HG23 ' E' ' 24' ' ' VAL . 12.5 p -126.83 135.73 62.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 75.049999999999997 111.151 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.47 -45.03 96.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 70.239999999999995 112.467 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 9.5 m -166.4 133.3 2.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.865 0.364 . . . . 72.540000000000006 110.832 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -102.41 100.5 10.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 72.530000000000001 110.902 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.96 160.53 19.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 74.129999999999995 110.92 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.85 -131.34 36.82 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.736 -0.745 . . . . 74.310000000000002 112.513 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.733 ' O ' HD12 ' C' ' 31' ' ' ILE . . . -101.84 113.54 26.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.72 0.295 . . . . 72.310000000000002 111.121 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.763 HG22 ' CE2' ' D' ' 20' ' ' PHE . 0.2 OUTLIER -122.99 111.44 29.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 74.340000000000003 111.128 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mt -125.44 114.01 37.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 73.010000000000005 111.095 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.33 -55.98 5.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 72.129999999999995 112.475 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.823 ' N ' HD13 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -151.42 151.97 32.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.766 0.317 . . . . 74.409999999999997 110.936 -179.887 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 3.0 mtp -128.52 119.93 25.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 60.140000000000001 110.888 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.448 ' O ' HG13 ' D' ' 36' ' ' VAL . 3.2 p -138.36 111.6 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 74.040000000000006 111.112 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.14 19.78 66.4 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 71.030000000000001 112.499 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.45 -165.18 28.46 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.692 -0.766 . . . . 64.430000000000007 112.431 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.743 HG23 HG13 ' C' ' 39' ' ' VAL . 6.3 p -168.15 141.88 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.868 0.366 . . . . 52.420000000000002 111.115 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.525 HG22 HG12 ' C' ' 40' ' ' VAL . 25.8 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 75.140000000000001 111.123 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.875 0.369 . . . . 74.409999999999997 110.815 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.01 91.54 3.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 61.299999999999997 111.081 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -58.53 -35.36 72.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 54.409999999999997 110.882 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 4' ' ' PHE . . . . . 0.655 ' CE1' ' HB2' ' J' ' 30' ' ' ALA . 5.5 m-85 -148.89 113.37 5.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 73.450000000000003 110.901 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.75 106.49 8.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 63.140000000000001 110.851 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -114.31 128.34 56.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 70.200000000000003 110.905 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -131.34 100.67 5.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 64.140000000000001 110.917 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 8' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' D' ' 8' ' ' SER . 54.8 p -149.54 170.86 17.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 43.219999999999999 110.863 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.94 -9.21 49.59 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.727 -0.749 . . . . 43.420000000000002 112.526 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -171.02 111.97 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 64.129999999999995 110.91 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -109.29 120.5 42.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 65.409999999999997 110.896 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 34.1 t -132.16 116.72 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 73.319999999999993 111.102 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 66.4 m170 -114.54 126.47 54.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 73.120000000000005 110.828 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -133.02 123.13 25.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 75.129999999999995 110.818 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -133.87 134.22 42.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 64.349999999999994 110.89 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 16' ' ' LYS . . . . . 0.4 ' O ' HD22 ' E' ' 17' ' ' LEU . 0.1 OUTLIER -123.96 117.27 24.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 74.239999999999995 110.911 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.419 HD13 ' CB ' ' D' ' 17' ' ' LEU . 3.8 mm? -120.82 107.38 12.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 51.32 110.89 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.692 ' CG2' HG12 ' D' ' 18' ' ' VAL . 30.9 m -114.23 124.36 70.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 70.549999999999997 111.128 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -102.68 112.92 25.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 73.319999999999993 110.898 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.774 ' CE2' HG22 ' E' ' 31' ' ' ILE . 14.6 m-30 51.89 71.93 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 65.319999999999993 110.87 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.31 131.07 38.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 75.099999999999994 111.099 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.1 87.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 61.329999999999998 110.864 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.641 HG23 ' CG1' ' D' ' 24' ' ' VAL . 14.1 p -127.42 135.15 64.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 63.210000000000001 111.137 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.75 -45.09 96.47 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 63.039999999999999 112.479 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 9.4 m -166.38 132.52 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 73.040000000000006 110.873 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -102.1 100.02 10.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 71.140000000000001 110.883 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.94 161.26 18.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 65.109999999999999 110.88 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.5 -131.53 35.01 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 73.230000000000004 112.48 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.738 ' O ' HD12 ' D' ' 31' ' ' ILE . . . -101.57 113.65 26.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.312 . . . . 70.430000000000007 111.122 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.774 HG22 ' CE2' ' E' ' 20' ' ' PHE . 0.2 OUTLIER -122.05 110.36 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 43.43 111.125 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -121.72 110.79 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 75.420000000000002 111.156 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 33' ' ' GLY . . . . . 0.544 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -44.09 -52.15 7.07 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 72.329999999999998 112.473 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.763 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -152.23 152.85 32.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.813 0.339 . . . . 72.109999999999999 110.93 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.1 mtp -130.33 119.38 22.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 72.439999999999998 110.921 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.452 ' O ' HG13 ' E' ' 36' ' ' VAL . 3.5 p -141.98 112.09 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 65.310000000000002 111.132 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.23 19.49 61.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.784 -0.722 . . . . 54.420000000000002 112.468 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.6 -165.64 29.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.686 -0.768 . . . . 63.32 112.498 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.726 HG23 HG13 ' D' ' 39' ' ' VAL . 6.8 p -167.82 141.85 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 72.439999999999998 111.161 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.503 HG22 HG12 ' D' ' 40' ' ' VAL . 28.0 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 72.319999999999993 111.123 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.833 0.349 . . . . 75.510000000000005 110.875 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.59 91.05 3.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 75.209999999999994 111.082 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.77 -39.84 78.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 43.200000000000003 110.881 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 4' ' ' PHE . . . . . 0.679 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 5.3 m-85 -147.31 113.42 5.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 75.209999999999994 110.905 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.14 108.72 6.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 72.129999999999995 110.877 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -110.13 129.72 55.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 62.420000000000002 110.847 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -134.76 101.82 5.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 71.019999999999996 110.817 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 8' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' G' ' 8' ' ' SER . 54.9 p -148.72 177.08 9.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 75.209999999999994 110.838 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.34 -10.18 45.53 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 63.409999999999997 112.465 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.36 115.46 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.885 0.374 . . . . 71.040000000000006 110.926 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -106.54 120.25 41.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 64.200000000000003 110.91 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 38.8 t -132.56 113.95 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 74.540000000000006 111.117 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 66.9 m170 -114.45 127.04 55.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 73.109999999999999 110.9 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -137.15 119.32 15.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 74.109999999999999 110.839 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 15' ' ' GLN . . . . . 0.435 ' HB3' HG11 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -131.6 133.18 44.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 74.129999999999995 110.894 -179.905 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' F' F ' 16' ' ' LYS . . . . . 0.56 ' HD3' HG13 ' F' ' 18' ' ' VAL . 0.1 OUTLIER -130.24 116.62 18.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 74.120000000000005 110.87 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.462 HD12 ' HE1' ' F' ' 19' ' ' PHE . 3.7 mm? -113.16 112.78 24.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 73.430000000000007 110.903 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.726 HG12 ' CG2' ' G' ' 18' ' ' VAL . 27.5 m -115.95 120.66 65.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 52.009999999999998 111.159 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.462 ' HE1' HD12 ' F' ' 17' ' ' LEU . 9.6 m-30 -102.79 115.21 30.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 71.420000000000002 110.886 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 20' ' ' PHE . . . . . 0.466 ' CE2' HG22 ' F' ' 31' ' ' ILE . 14.4 m-30 50.46 74.08 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 72.230000000000004 110.866 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.01 130.71 40.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 72.430000000000007 111.106 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.66 88.12 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 60.5 110.872 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.585 ' CG1' HG23 ' G' ' 24' ' ' VAL . 9.4 p -125.98 137.0 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 71.549999999999997 111.144 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.65 -45.5 96.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 42.539999999999999 112.5 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 10.1 m -166.34 133.0 2.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.845 0.355 . . . . 53.130000000000003 110.893 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -100.33 99.82 10.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 72.209999999999994 110.893 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.44 160.09 19.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 63.219999999999999 110.917 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.38 -132.58 44.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.701 -0.761 . . . . 55.020000000000003 112.538 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.687 ' HB2' ' CE1' ' A' ' 4' ' ' PHE . . . -100.61 114.18 27.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.308 . . . . 52.340000000000003 111.099 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.854 HD13 HG23 ' G' ' 31' ' ' ILE . 0.2 OUTLIER -120.53 113.23 39.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 72.030000000000001 111.14 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 mt -130.3 110.81 19.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 53.009999999999998 111.118 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.78 -53.1 7.42 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 42.520000000000003 112.482 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.8 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -158.52 154.84 27.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 64.099999999999994 110.891 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -133.39 125.52 29.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 71.409999999999997 110.911 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.498 HG11 HG11 ' A' ' 36' ' ' VAL . 3.3 p -134.52 112.24 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 51.219999999999999 111.149 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.39 17.77 70.83 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.667 -0.778 . . . . 73.25 112.485 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.91 -165.11 26.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 64.230000000000004 112.486 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.754 HG13 HG23 ' G' ' 39' ' ' VAL . 7.7 p -168.96 144.31 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.382 . . . . 63.420000000000002 111.1 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.504 HG12 HG22 ' G' ' 40' ' ' VAL . 28.6 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 65.230000000000004 111.138 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.841 0.353 . . . . 72.510000000000005 110.865 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.33 90.67 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 73.329999999999998 111.084 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.89 -39.89 78.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 64.340000000000003 110.9 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 4' ' ' PHE . . . . . 0.673 ' CZ ' ' HB2' ' B' ' 30' ' ' ALA . 5.7 m-85 -147.87 113.02 5.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 63.119999999999997 110.868 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.47 108.65 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 75.310000000000002 110.838 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -110.78 128.97 55.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 72.530000000000001 110.898 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -134.1 101.62 5.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 74.239999999999995 110.843 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 8' ' ' SER . . . . . 0.431 ' O ' ' HA ' ' H' ' 8' ' ' SER . 55.6 p -148.83 176.32 10.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 64.340000000000003 110.823 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.31 -10.72 44.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 54.310000000000002 112.459 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.4 113.74 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.811 0.339 . . . . 70.230000000000004 110.889 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -103.98 119.98 40.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 73.150000000000006 110.882 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 37.6 t -131.04 113.71 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 61.119999999999997 111.139 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -114.56 127.14 55.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 74.010000000000005 110.911 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -137.5 119.72 15.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 75.120000000000005 110.855 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.99 132.93 45.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 74.5 110.893 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 16' ' ' LYS . . . . . 0.471 ' HD3' HG13 ' G' ' 18' ' ' VAL . 0.1 OUTLIER -127.4 118.03 23.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 72.129999999999995 110.932 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.517 HD12 ' HE1' ' G' ' 19' ' ' PHE . 3.3 mm? -117.24 111.92 20.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 71.439999999999998 110.946 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.726 ' CG2' HG12 ' F' ' 18' ' ' VAL . 30.3 m -117.54 121.17 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 71.319999999999993 111.13 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.517 ' HE1' HD12 ' G' ' 17' ' ' LEU . 5.0 m-30 -101.94 116.51 32.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 65.409999999999997 110.874 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 0.673 ' CE2' HG22 ' G' ' 31' ' ' ILE . 13.8 m-30 51.15 73.28 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 71.129999999999995 110.899 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.68 131.2 37.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 62.25 111.118 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.78 88.56 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 74.530000000000001 110.871 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.597 ' CG1' HG23 ' H' ' 24' ' ' VAL . 12.2 p -127.35 135.67 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 72.120000000000005 111.143 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.18 -44.32 97.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.756 . . . . 73.010000000000005 112.524 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 11.4 m -166.38 133.04 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 51.219999999999999 110.852 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -101.08 100.17 10.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 71.409999999999997 110.864 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.54 160.05 19.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 72.25 110.895 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.47 -132.91 41.73 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 62.310000000000002 112.503 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.7 ' O ' HD12 ' F' ' 31' ' ' ILE . . . -100.6 114.21 27.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 71.219999999999999 111.085 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.854 HG23 HD13 ' F' ' 31' ' ' ILE . 0.1 OUTLIER -121.86 112.07 33.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 75.329999999999998 111.174 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 mt -127.49 112.8 29.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 64.400000000000006 111.111 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 33' ' ' GLY . . . . . 0.401 ' HA3' ' HB3' ' G' ' 19' ' ' PHE . . . -44.17 -54.84 6.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 73.540000000000006 112.492 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.82 ' N ' HD13 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -154.94 153.51 31.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 70.549999999999997 110.89 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -128.24 122.41 31.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 44.350000000000001 110.853 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.438 ' O ' HG13 ' G' ' 36' ' ' VAL . 3.5 p -137.14 112.62 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 63.009999999999998 111.122 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.23 18.35 64.95 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 34.119999999999997 112.459 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.23 -165.46 27.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.741 . . . . 74.430000000000007 112.47 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.769 HG13 HG23 ' H' ' 39' ' ' VAL . 6.9 p -168.77 142.83 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.897 0.38 . . . . 72.150000000000006 111.09 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.504 HG22 HG12 ' F' ' 40' ' ' VAL . 25.5 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 74.0 111.106 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.756 0.313 . . . . 65.219999999999999 110.869 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.89 91.23 3.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 72.439999999999998 111.152 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.9 -38.83 76.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 73.239999999999995 110.921 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 4' ' ' PHE . . . . . 0.673 ' CZ ' ' HB2' ' C' ' 30' ' ' ALA . 5.6 m-85 -147.91 113.12 5.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 62.520000000000003 110.856 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.45 108.19 8.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 62.140000000000001 110.859 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -111.73 128.35 56.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 74.430000000000007 110.871 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -133.35 101.63 5.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 71.430000000000007 110.848 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 8' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' G' ' 8' ' ' SER . 54.7 p -148.68 175.97 10.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 70.239999999999995 110.856 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.67 -10.61 43.26 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.775 -0.726 . . . . 74.219999999999999 112.507 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.36 113.59 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 72.120000000000005 110.948 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -104.29 120.16 40.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 65.239999999999995 110.925 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 37.1 t -131.33 114.06 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 70.510000000000005 111.109 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -114.49 127.03 55.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 72.219999999999999 110.846 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -136.95 120.21 16.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 65.530000000000001 110.839 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.59 132.89 44.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 61.009999999999998 110.939 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.53 118.26 25.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 72.439999999999998 110.903 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.502 HD12 ' HE1' ' H' ' 19' ' ' PHE . 3.6 mm? -118.74 111.33 18.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 71.230000000000004 110.892 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.716 ' CG2' HG12 ' G' ' 18' ' ' VAL . 30.9 m -118.02 121.68 67.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 75.310000000000002 111.17 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.502 ' HE1' HD12 ' H' ' 17' ' ' LEU . 4.0 m-30 -101.83 114.69 28.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 72.120000000000005 110.888 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 20' ' ' PHE . . . . . 0.738 ' CE2' HG22 ' H' ' 31' ' ' ILE . 13.2 m-30 52.43 72.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 73.010000000000005 110.897 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.49 131.06 37.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 74.450000000000003 111.086 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.29 88.09 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 62.329999999999998 110.855 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 24' ' ' VAL . . . . . 0.623 ' CG1' HG23 ' I' ' 24' ' ' VAL . 12.6 p -126.9 135.26 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 62.43 111.156 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.86 -44.47 97.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 75.340000000000003 112.462 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 10.4 m -166.38 132.81 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 53.210000000000001 110.888 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -100.82 99.97 10.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 73.519999999999996 110.93 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.5 160.23 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 61.450000000000003 110.832 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.07 -133.48 39.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 61.100000000000001 112.483 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 30' ' ' ALA . . . . . 0.714 ' O ' HD12 ' G' ' 31' ' ' ILE . . . -100.53 113.78 26.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.765 0.317 . . . . 60.109999999999999 111.081 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.825 HG23 HD13 ' G' ' 31' ' ' ILE . 0.1 OUTLIER -121.96 112.72 36.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 70.129999999999995 111.116 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mt -126.91 113.08 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 75.409999999999997 111.162 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -43.67 -55.75 5.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 50.520000000000003 112.496 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.823 ' N ' HD13 ' H' ' 34' ' ' LEU . 0.0 OUTLIER -153.22 152.37 31.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.806 0.336 . . . . 44.420000000000002 110.916 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -127.39 120.97 29.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 72.239999999999995 110.901 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.442 ' O ' HG13 ' H' ' 36' ' ' VAL . 3.4 p -137.76 112.19 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 54.539999999999999 111.103 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.93 18.83 64.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.792 -0.718 . . . . 43.219999999999999 112.474 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.51 -165.65 28.46 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.727 -0.749 . . . . 72.239999999999995 112.48 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.769 HG23 HG13 ' G' ' 39' ' ' VAL . 6.4 p -168.54 142.33 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.348 . . . . 64.420000000000002 111.142 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' H' H ' 40' ' ' VAL . . . . . 0.475 HG12 HG22 ' I' ' 40' ' ' VAL . 26.3 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 74.510000000000005 111.127 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.838 0.351 . . . . 72.299999999999997 110.892 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.83 91.29 3.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 53.25 111.106 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.68 -38.56 75.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 72.349999999999994 110.866 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 4' ' ' PHE . . . . . 0.678 ' CZ ' ' HB2' ' D' ' 30' ' ' ALA . 5.5 m-85 -148.03 113.02 5.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 74.430000000000007 110.858 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.05 108.01 9.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 65.129999999999995 110.861 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -112.95 127.78 56.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 63.329999999999998 110.848 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -132.49 101.69 5.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 73.030000000000001 110.9 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 8' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' H' ' 8' ' ' SER . 54.8 p -148.91 175.03 11.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.030000000000001 110.833 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.85 -10.3 43.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 53.420000000000002 112.506 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.34 113.78 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 75.129999999999995 110.899 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -105.43 120.88 42.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 62.530000000000001 110.924 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 38.8 t -131.85 114.06 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 70.109999999999999 111.132 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 67.3 m170 -114.24 126.73 55.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 60.530000000000001 110.848 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -136.16 120.97 18.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 75.150000000000006 110.869 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.35 133.07 43.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 72.519999999999996 110.862 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.03 118.46 27.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 75.430000000000007 110.905 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.436 HD12 ' HE1' ' I' ' 19' ' ' PHE . 3.6 mm? -120.35 110.74 16.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 54.109999999999999 110.896 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 18' ' ' VAL . . . . . 0.692 HG12 ' CG2' ' J' ' 18' ' ' VAL . 27.2 m -117.69 122.76 70.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 73.319999999999993 111.133 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 19' ' ' PHE . . . . . 0.436 ' HE1' HD12 ' I' ' 17' ' ' LEU . 3.1 m-30 -102.15 113.05 25.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 72.120000000000005 110.893 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 20' ' ' PHE . . . . . 0.773 ' CE2' HG22 ' I' ' 31' ' ' ILE . 13.7 m-30 52.9 72.11 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 75.319999999999993 110.846 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.82 130.8 38.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 71.200000000000003 111.07 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.32 87.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 55.219999999999999 110.885 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.663 ' CG1' HG23 ' J' ' 24' ' ' VAL . 11.9 p -127.11 135.35 63.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 61.130000000000003 111.083 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.17 -44.8 97.22 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.743 -0.741 . . . . 70.209999999999994 112.466 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 9.5 m -166.52 132.78 2.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 74.420000000000002 110.876 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -100.83 99.84 10.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 75.409999999999997 110.897 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.57 160.36 19.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 65.530000000000001 110.94 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.77 -133.24 37.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 73.129999999999995 112.476 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.731 ' O ' HD12 ' H' ' 31' ' ' ILE . . . -100.57 113.7 26.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 51.200000000000003 111.111 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.773 HG22 ' CE2' ' I' ' 20' ' ' PHE . 0.1 OUTLIER -122.08 112.53 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 72.519999999999996 111.165 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mt -126.2 113.33 33.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 72.219999999999999 111.134 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 33' ' ' GLY . . . . . 0.406 ' C ' HD13 ' I' ' 34' ' ' LEU . . . -44.13 -56.79 5.15 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.727 -0.749 . . . . 42.130000000000003 112.463 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.819 ' N ' HD13 ' I' ' 34' ' ' LEU . 0.0 OUTLIER -151.26 151.56 32.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 74.140000000000001 110.908 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 3.0 mtp -127.87 120.17 27.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 74.420000000000002 110.861 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.443 ' O ' HG13 ' I' ' 36' ' ' VAL . 3.2 p -138.58 111.52 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 64.239999999999995 111.135 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.46 19.33 66.59 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.716 -0.754 . . . . 64.010000000000005 112.451 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.26 -165.36 28.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 75.019999999999996 112.476 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 0.758 HG23 HG13 ' H' ' 39' ' ' VAL . 6.2 p -168.65 142.51 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.37 . . . . 72.340000000000003 111.145 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' I' I ' 40' ' ' VAL . . . . . 0.517 HG12 HG22 ' J' ' 40' ' ' VAL . 27.1 m . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 70.329999999999998 111.159 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.867 0.365 . . . . 74.299999999999997 110.838 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.23 91.2 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 62.229999999999997 111.116 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -57.7 -37.88 74.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 73.129999999999995 110.93 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' J' J ' 4' ' ' PHE . . . . . 0.669 ' CZ ' ' HB2' ' E' ' 30' ' ' ALA . 5.1 m-85 -148.35 114.07 5.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 75.450000000000003 110.874 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.16 107.24 8.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 44.229999999999997 110.837 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -113.69 127.27 55.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 63.420000000000002 110.892 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -130.64 101.33 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 74.099999999999994 110.853 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 55.1 p -150.16 170.22 19.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 62.039999999999999 110.887 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.87 -8.98 50.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 62.039999999999999 112.492 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -170.94 111.56 0.37 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.875 0.369 . . . . 73.150000000000006 110.919 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -107.76 120.37 42.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.51 . . . . 62.43 110.88 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 33.5 t -131.57 116.34 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 72.219999999999999 111.175 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 67.3 m170 -114.52 126.61 55.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 74.430000000000007 110.863 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -133.6 122.32 23.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 72.209999999999994 110.848 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -133.06 133.62 43.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 75.310000000000002 110.9 -179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.47 116.12 21.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 63.219999999999999 110.874 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.423 HD13 ' CB ' ' I' ' 17' ' ' LEU . 3.8 mm? -120.37 107.87 13.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 62.530000000000001 110.934 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.692 ' CG2' HG12 ' I' ' 18' ' ' VAL . 30.8 m -114.54 124.19 70.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 71.010000000000005 111.125 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' J' ' 19' ' ' PHE . 2.5 m-30 -102.57 112.67 25.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 75.5 110.866 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' J' J ' 20' ' ' PHE . . . . . 0.805 ' CE2' HG22 ' J' ' 31' ' ' ILE . 14.7 m-30 52.26 71.87 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 70.540000000000006 110.901 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.74 131.5 39.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 63.32 111.123 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.78 87.17 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 60.200000000000003 110.901 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.663 HG23 ' CG1' ' I' ' 24' ' ' VAL . 12.9 p -127.83 135.2 63.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 43.420000000000002 111.139 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.11 -45.05 96.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 50.119999999999997 112.483 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 8.6 m -166.88 132.17 2.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.92 0.39 . . . . 73.099999999999994 110.816 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 -100.61 99.81 10.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 64.040000000000006 110.891 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.49 161.24 18.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 75.099999999999994 110.894 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.17 -133.61 36.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 71.439999999999998 112.5 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 0.73 ' O ' HD12 ' I' ' 31' ' ' ILE . . . -100.32 113.72 26.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.744 0.306 . . . . 54.0 111.06 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.805 HG22 ' CE2' ' J' ' 20' ' ' PHE . 0.2 OUTLIER -121.75 112.42 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 74.420000000000002 111.168 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 mt -122.94 111.1 28.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 70.239999999999995 111.13 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' J' J ' 33' ' ' GLY . . . . . 0.549 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -43.83 -53.25 6.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 53.109999999999999 112.495 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.761 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -151.78 152.97 33.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.821 0.343 . . . . 61.509999999999998 110.89 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 3.1 mtp -129.76 119.52 23.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 64.310000000000002 110.906 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.448 ' O ' HG13 ' J' ' 36' ' ' VAL . 3.4 p -142.37 111.67 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 71.209999999999994 111.128 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.77 19.55 63.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 72.219999999999999 112.507 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.88 -165.55 29.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.728 -0.749 . . . . 74.010000000000005 112.467 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.734 HG23 HG13 ' I' ' 39' ' ' VAL . 6.5 p -168.29 141.74 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 64.519999999999996 111.127 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.517 HG22 HG12 ' I' ' 40' ' ' VAL . 27.7 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 60.32 111.151 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.84 0.353 . . . . 71.349999999999994 110.857 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.13 78.44 1.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 62.520000000000003 111.112 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -53.78 -34.14 58.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 61.109999999999999 110.878 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.727 ' CE1' ' HB2' ' F' ' 30' ' ' ALA . 2.1 m-85 -150.82 112.49 4.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 55.130000000000003 110.898 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -137.81 108.03 6.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 73.230000000000004 110.861 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.27 130.01 55.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 63.340000000000003 110.897 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -135.75 100.69 4.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 63.450000000000003 110.861 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' B' ' 8' ' ' SER . 2.8 p -156.03 127.86 7.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 75.430000000000007 110.776 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.07 -26.64 12.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 33.439999999999998 112.481 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -146.03 109.24 4.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.846 0.355 . . . . 73.319999999999993 110.968 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -109.69 119.51 39.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 63.439999999999998 110.897 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' VAL . . . . . 0.568 HG23 HG13 ' B' ' 12' ' ' VAL . 3.7 p -139.33 125.53 23.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 55.219999999999999 111.136 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -125.15 112.86 16.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 63.009999999999998 110.868 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -116.35 126.91 54.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 64.349999999999994 110.829 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -124.75 132.79 53.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 74.120000000000005 110.947 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.481 ' O ' HD22 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -134.45 117.68 16.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 55.530000000000001 110.895 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.613 ' HB2' HD13 ' B' ' 17' ' ' LEU . 3.5 mm? -121.7 114.97 21.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 72.349999999999994 110.897 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.569 ' CG1' ' HB2' ' A' ' 21' ' ' ALA . 90.5 t -109.49 112.6 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 74.439999999999998 111.135 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.578 ' HE1' HD12 ' A' ' 17' ' ' LEU . 13.0 m-30 -102.69 106.16 16.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 73.219999999999999 110.863 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 59.04 91.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 70.140000000000001 110.898 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.569 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . . . -117.48 143.43 46.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 53.409999999999997 111.122 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.7 t0 53.06 71.83 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 70.400000000000006 110.867 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.563 HG22 ' H ' ' A' ' 26' ' ' SER . 8.0 p -112.61 129.3 68.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 54.420000000000002 111.12 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.02 -36.39 42.98 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.8 -0.714 . . . . 62.43 112.498 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' SER . . . . . 0.563 ' H ' HG22 ' A' ' 24' ' ' VAL . 0.4 OUTLIER 179.86 140.14 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.927 0.394 . . . . 73.329999999999998 110.809 -179.758 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -98.59 103.86 15.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 72.140000000000001 110.865 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.6 155.62 25.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 72.510000000000005 110.916 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.83 -136.81 50.45 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.774 -0.727 . . . . 44.530000000000001 112.449 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.747 ' HB2' ' CE2' ' F' ' 4' ' ' PHE . . . -96.84 111.57 23.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.734 0.302 . . . . 72.530000000000001 111.07 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.69 HG13 HG22 ' B' ' 31' ' ' ILE . 0.0 OUTLIER -122.58 117.64 52.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 61.32 111.138 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.411 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 3.4 mt -132.92 118.86 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 73.219999999999999 111.118 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.05 -49.95 7.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 34.200000000000003 112.478 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.811 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -158.6 155.98 29.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 55.32 110.914 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 16.0 mtp -131.68 122.81 26.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 75.430000000000007 110.904 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.573 HG21 HG11 ' F' ' 36' ' ' VAL . 81.1 t -134.26 114.87 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 63.310000000000002 111.11 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.51 16.59 55.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 74.349999999999994 112.497 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.61 -174.39 22.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.688 -0.768 . . . . 72.099999999999994 112.479 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.908 HG13 HG23 ' B' ' 39' ' ' VAL . 13.2 p -155.93 149.39 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 65.310000000000002 111.132 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.725 ' HA ' HG22 ' B' ' 40' ' ' VAL . 18.1 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 63.520000000000003 111.13 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.77 0.319 . . . . 63.539999999999999 110.875 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.3 79.29 1.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 75.319999999999993 111.087 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -53.16 -31.13 41.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 74.120000000000005 110.831 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.677 ' CE2' ' HB2' ' G' ' 30' ' ' ALA . 2.9 m-85 -153.8 112.87 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 72.420000000000002 110.914 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -135.7 108.73 7.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 72.420000000000002 110.906 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.41 131.1 55.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 71.25 110.851 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -136.22 101.69 4.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.319999999999993 110.836 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.411 ' O ' ' HA ' ' C' ' 8' ' ' SER . 2.8 p -156.55 127.2 6.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 63.130000000000003 110.835 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.93 -26.69 11.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 74.219999999999999 112.508 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.35 107.08 3.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 73.409999999999997 110.935 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -108.04 119.59 39.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 64.549999999999997 110.873 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.575 HG23 HG13 ' C' ' 12' ' ' VAL . 3.5 p -137.25 126.12 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 75.310000000000002 111.15 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -123.66 112.92 17.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 65.019999999999996 110.867 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -116.06 126.25 53.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 72.340000000000003 110.812 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -124.26 132.62 53.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 72.200000000000003 110.924 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.507 ' O ' HD22 ' B' ' 17' ' ' LEU . 0.1 OUTLIER -130.67 117.88 20.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 72.439999999999998 110.891 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.658 ' HB2' HD13 ' C' ' 17' ' ' LEU . 3.9 mm? -122.05 111.86 17.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 73.140000000000001 110.88 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.534 ' CG1' ' HB2' ' B' ' 21' ' ' ALA . 93.1 t -108.42 111.42 35.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 75.450000000000003 111.144 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.538 ' HE1' HD12 ' B' ' 17' ' ' LEU . 10.3 m-30 -102.88 104.61 14.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 73.420000000000002 110.903 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 58.81 91.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 75.519999999999996 110.865 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.534 ' HB2' ' CG1' ' B' ' 18' ' ' VAL . . . -117.93 143.89 45.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 74.230000000000004 111.083 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 18.6 t0 52.49 72.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 73.25 110.878 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.589 HG22 ' H ' ' B' ' 26' ' ' SER . 8.1 p -113.54 127.94 70.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 75.040000000000006 111.115 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.13 -34.35 46.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.795 -0.717 . . . . 60.020000000000003 112.472 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.589 ' H ' HG22 ' B' ' 24' ' ' VAL . 0.4 OUTLIER -179.59 140.51 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.91 0.386 . . . . 63.530000000000001 110.835 -179.742 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -99.18 102.01 13.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 71.340000000000003 110.892 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.13 159.57 19.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 73.099999999999994 110.919 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.34 -133.15 51.45 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.745 -0.741 . . . . 63.219999999999999 112.468 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.667 ' HB2' ' CE2' ' G' ' 4' ' ' PHE . . . -99.31 112.21 24.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.782 0.325 . . . . 74.140000000000001 111.087 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.777 HG13 HG22 ' C' ' 31' ' ' ILE . 0.0 OUTLIER -118.77 114.13 43.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 50.109999999999999 111.121 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.411 ' O ' ' HA ' ' A' ' 32' ' ' ILE . 3.4 mt -131.35 118.33 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 61.520000000000003 111.128 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.42 -49.12 20.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 44.100000000000001 112.544 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.803 ' N ' HD13 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -157.93 154.08 27.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.759 0.314 . . . . 75.25 110.979 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 8.8 mtp -128.69 121.49 28.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 75.319999999999993 110.895 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.647 HG21 HG11 ' G' ' 36' ' ' VAL . 90.5 t -136.3 114.0 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 74.439999999999998 111.14 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.78 17.51 42.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 42.409999999999997 112.483 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.71 -174.8 23.05 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.723 -0.751 . . . . 51.240000000000002 112.471 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.921 HG13 HG23 ' C' ' 39' ' ' VAL . 13.3 p -156.13 151.07 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 70.310000000000002 111.147 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.725 HG22 ' HA ' ' A' ' 40' ' ' VAL . 14.5 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 61.409999999999997 111.136 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.803 0.335 . . . . 73.409999999999997 110.833 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.55 79.73 1.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 62.020000000000003 111.132 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 -52.93 -31.12 38.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 74.129999999999995 110.93 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 4' ' ' PHE . . . . . 0.61 ' CE2' ' HB2' ' H' ' 30' ' ' ALA . 3.1 m-85 -152.69 113.1 4.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 72.530000000000001 110.925 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -134.62 108.96 8.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 74.439999999999998 110.846 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.01 130.84 55.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 72.209999999999994 110.866 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -135.64 102.15 5.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 73.349999999999994 110.827 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 8' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' B' ' 8' ' ' SER . 2.8 p -156.23 127.18 6.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 72.299999999999997 110.864 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.8 -27.16 12.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 65.519999999999996 112.499 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.82 107.12 3.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.864 0.364 . . . . 71.549999999999997 110.974 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -107.58 119.93 40.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 72.430000000000007 110.909 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.596 HG23 HG13 ' D' ' 12' ' ' VAL . 3.7 p -136.39 126.71 40.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 74.340000000000003 111.128 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -122.76 113.01 18.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 70.530000000000001 110.873 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -115.48 125.76 53.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 75.140000000000001 110.824 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -125.48 132.52 52.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 74.420000000000002 110.938 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.515 ' O ' HD22 ' C' ' 17' ' ' LEU . 0.1 OUTLIER -129.02 119.06 23.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 45.329999999999998 110.915 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.658 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.2 mm? -123.27 110.05 14.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 72.230000000000004 110.957 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' C' ' 21' ' ' ALA . 93.9 t -107.98 111.18 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 54.399999999999999 111.081 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.543 ' HE1' HD12 ' C' ' 17' ' ' LEU . 8.5 m-30 -102.6 104.4 14.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 74.319999999999993 110.867 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 56.42 91.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 75.5 110.882 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.479 ' HB2' ' CG1' ' C' ' 18' ' ' VAL . . . -118.77 144.06 46.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 64.530000000000001 111.051 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 18.6 t0 52.82 72.56 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 64.439999999999998 110.852 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.601 HG22 ' H ' ' C' ' 26' ' ' SER . 8.0 p -113.91 127.75 71.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 51.539999999999999 111.158 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.63 -33.86 42.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 75.340000000000003 112.503 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.601 ' H ' HG22 ' C' ' 24' ' ' VAL . 0.4 OUTLIER -179.34 139.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.352 . . . . 70.230000000000004 110.884 -179.756 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -99.17 100.65 11.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 55.240000000000002 110.848 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.34 159.74 19.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 73.400000000000006 110.883 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.26 -131.49 52.08 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 31.010000000000002 112.49 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.645 ' HB2' ' CE2' ' H' ' 4' ' ' PHE . . . -99.69 112.09 24.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.749 0.309 . . . . 63.310000000000002 111.078 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.815 HG13 HG22 ' D' ' 31' ' ' ILE . 0.0 OUTLIER -116.71 111.93 37.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 73.140000000000001 111.118 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.61 117.84 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 73.25 111.102 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.23 -49.04 31.97 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.676 -0.773 . . . . 71.239999999999995 112.51 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.814 ' N ' HD13 ' C' ' 34' ' ' LEU . 0.0 OUTLIER -156.81 152.93 27.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 72.310000000000002 110.931 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 11.3 mtp -128.37 119.79 25.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 74.200000000000003 110.868 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.664 HG11 HG21 ' H' ' 36' ' ' VAL . 91.0 t -137.3 113.93 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 64.209999999999994 111.12 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.9 18.19 38.97 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 71.219999999999999 112.451 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -105.73 -174.49 23.86 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 44.450000000000003 112.49 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.921 HG23 HG13 ' B' ' 39' ' ' VAL . 12.0 p -156.32 152.1 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 65.450000000000003 111.118 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.69 HG22 ' HA ' ' B' ' 40' ' ' VAL . 14.0 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 62.32 111.178 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.802 0.334 . . . . 75.0 110.853 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.99 79.78 1.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 74.109999999999999 111.121 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 3' ' ' GLU . . . . . 0.4 ' HA ' ' HA2' ' I' ' 29' ' ' GLY . 17.5 mp0 -52.56 -31.72 37.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 60.439999999999998 110.913 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 4' ' ' PHE . . . . . 0.641 ' CE2' ' HB2' ' I' ' 30' ' ' ALA . 3.1 m-85 -152.35 112.88 4.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 74.299999999999997 110.833 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -133.11 108.57 8.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 71.239999999999995 110.913 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.82 129.93 56.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 65.019999999999996 110.889 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -134.21 101.93 5.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 54.32 110.899 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 8' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' C' ' 8' ' ' SER . 2.8 p -156.27 127.24 6.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 54.350000000000001 110.871 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.9 -26.76 19.28 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.71 -0.757 . . . . 74.409999999999997 112.467 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.96 106.86 3.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.812 0.339 . . . . 54.32 110.942 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -108.23 120.65 42.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 74.430000000000007 110.872 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 12' ' ' VAL . . . . . 0.623 HG23 HG13 ' E' ' 12' ' ' VAL . 4.2 p -136.42 127.08 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 74.099999999999994 111.142 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -122.03 113.08 19.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 75.409999999999997 110.853 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -115.23 125.59 53.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 72.150000000000006 110.871 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -127.0 132.76 50.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 73.25 110.897 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.557 ' O ' HD22 ' D' ' 17' ' ' LEU . 0.1 OUTLIER -126.74 120.65 29.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 75.129999999999995 110.899 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.612 ' HB2' HD13 ' E' ' 17' ' ' LEU . 4.2 mm? -124.75 108.91 12.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 75.239999999999995 110.903 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.48 ' CG1' ' HB2' ' D' ' 21' ' ' ALA . 92.6 t -108.03 111.5 36.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 71.200000000000003 111.125 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.529 ' HE1' HD12 ' D' ' 17' ' ' LEU . 7.9 m-30 -102.22 102.8 13.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 75.340000000000003 110.867 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 56.87 91.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 74.409999999999997 110.895 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 21' ' ' ALA . . . . . 0.48 ' HB2' ' CG1' ' D' ' 18' ' ' VAL . . . -118.89 144.28 46.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 54.439999999999998 111.064 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 18.8 t0 52.9 72.77 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 71.549999999999997 110.854 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.594 HG22 ' H ' ' D' ' 26' ' ' SER . 8.2 p -115.16 127.6 72.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 52.119999999999997 111.138 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.5 -33.76 48.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 71.409999999999997 112.484 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 26' ' ' SER . . . . . 0.594 ' H ' HG22 ' D' ' 24' ' ' VAL . 0.4 OUTLIER -179.23 139.65 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.893 0.378 . . . . 55.119999999999997 110.879 -179.753 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.457 ' CG ' HG21 ' D' ' 31' ' ' ILE . 17.2 m-20 -99.47 100.64 11.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 73.439999999999998 110.906 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.06 160.28 19.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 74.400000000000006 110.886 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.76 -131.27 51.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.795 -0.717 . . . . 53.340000000000003 112.455 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.647 ' HB2' ' CE2' ' I' ' 4' ' ' PHE . . . -99.03 111.26 23.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.322 . . . . 33.130000000000003 111.117 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.815 HG22 HG13 ' C' ' 31' ' ' ILE . 0.0 OUTLIER -114.04 111.41 35.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 63.299999999999997 111.144 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.5 117.55 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 53.520000000000003 111.128 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 33' ' ' GLY . . . . . 0.471 ' C ' HD13 ' D' ' 34' ' ' LEU . . . -50.66 -49.73 39.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.762 . . . . 74.329999999999998 112.5 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.811 ' N ' HD13 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -154.62 151.86 29.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 74.5 110.96 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 11.9 mtp -129.02 118.65 22.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 73.099999999999994 110.884 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.643 HG11 HG21 ' I' ' 36' ' ' VAL . 84.4 t -138.1 112.73 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 55.43 111.084 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.75 17.69 43.14 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.749 . . . . 41.340000000000003 112.478 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.26 -174.32 26.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.666 -0.778 . . . . 64.530000000000001 112.491 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.864 HG23 HG13 ' C' ' 39' ' ' VAL . 13.2 p -156.54 151.03 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 60.229999999999997 111.167 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.678 HG22 ' HA ' ' C' ' 40' ' ' VAL . 15.1 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 74.150000000000006 111.141 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.832 0.349 . . . . 73.129999999999995 110.844 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.98 79.91 1.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 74.049999999999997 111.055 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 3' ' ' GLU . . . . . 0.421 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . 17.6 mp0 -52.6 -32.17 40.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 72.409999999999997 110.848 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 4' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' J' ' 30' ' ' ALA . 2.9 m-85 -151.65 114.3 4.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 65.25 110.841 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -132.61 107.37 8.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 73.329999999999998 110.896 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.35 127.2 56.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 72.319999999999993 110.869 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -130.37 101.07 5.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 72.010000000000005 110.885 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -156.75 127.62 6.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 74.400000000000006 110.841 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.84 -25.04 43.55 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.75 . . . . 72.540000000000006 112.494 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.34 103.77 3.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 75.109999999999999 110.922 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -109.36 120.98 44.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 61.25 110.862 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 12' ' ' VAL . . . . . 0.623 HG13 HG23 ' D' ' 12' ' ' VAL . 5.5 p -136.28 128.75 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 74.430000000000007 111.137 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -120.68 113.63 20.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 72.040000000000006 110.884 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 1.7 m80 -114.15 126.91 55.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 73.109999999999999 110.875 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -130.06 133.14 46.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 53.200000000000003 110.922 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 16' ' ' LYS . . . . . 0.613 ' O ' HD22 ' E' ' 17' ' ' LEU . 0.1 OUTLIER -127.71 120.44 27.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 62.219999999999999 110.906 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.613 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.0 mm? -125.71 112.96 16.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 64.230000000000004 110.897 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 87.9 t -107.77 113.05 42.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 74.349999999999994 111.153 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.526 ' HE1' HD12 ' E' ' 17' ' ' LEU . 9.3 m-30 -102.37 98.82 8.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 74.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 53.79 90.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 73.219999999999999 110.831 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.6 144.86 45.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 64.030000000000001 111.11 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 19.0 t0 52.7 72.35 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 72.409999999999997 110.882 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.605 HG22 ' H ' ' E' ' 26' ' ' SER . 7.7 p -113.87 126.67 71.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 74.409999999999997 111.121 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.6 -33.59 34.0 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.691 -0.766 . . . . 74.519999999999996 112.514 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 26' ' ' SER . . . . . 0.605 ' H ' HG22 ' E' ' 24' ' ' VAL . 0.4 OUTLIER -179.56 138.27 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 74.25 110.907 -179.743 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.509 ' CG ' HG21 ' E' ' 31' ' ' ILE . 24.7 m-20 -99.14 99.7 10.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 63.549999999999997 110.925 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.28 160.27 19.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 73.310000000000002 110.873 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.45 -133.38 51.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 55.43 112.517 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.622 ' HB2' ' CZ ' ' J' ' 4' ' ' PHE . . . -95.49 112.35 24.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.743 0.306 . . . . 62.219999999999999 111.075 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.736 HG22 HG13 ' D' ' 31' ' ' ILE . 0.0 OUTLIER -112.8 111.94 38.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 72.120000000000005 111.151 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.39 114.6 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 63.039999999999999 111.155 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 33' ' ' GLY . . . . . 0.563 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -50.89 -47.55 47.46 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.734 -0.746 . . . . 51.140000000000001 112.475 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.769 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -153.99 152.02 30.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.336 . . . . 74.430000000000007 110.94 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.407 ' H ' HD22 ' D' ' 34' ' ' LEU . 10.7 mtp -130.46 117.26 19.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 62.450000000000003 110.848 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.565 HG11 HG21 ' J' ' 36' ' ' VAL . 95.6 t -141.44 111.31 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 74.030000000000001 111.151 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.47 17.96 42.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 75.200000000000003 112.508 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.02 -173.49 25.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 51.340000000000003 112.471 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.832 HG23 HG13 ' D' ' 39' ' ' VAL . 11.8 p -156.28 151.86 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.871 0.367 . . . . 72.409999999999997 111.136 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.617 HG22 ' HA ' ' D' ' 40' ' ' VAL . 17.8 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 71.25 111.125 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.857 0.361 . . . . 71.530000000000001 110.875 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.95 78.32 1.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 74.329999999999998 111.133 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -53.51 -33.77 55.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 63.140000000000001 110.913 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 4' ' ' PHE . . . . . 0.747 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 2.2 m-85 -150.81 112.95 4.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 74.019999999999996 110.884 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -138.21 108.31 6.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 75.010000000000005 110.896 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.92 130.13 55.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 75.400000000000006 110.885 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -135.63 101.14 4.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 73.549999999999997 110.879 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 8' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' G' ' 8' ' ' SER . 2.8 p -155.92 127.5 7.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 43.039999999999999 110.876 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.17 -26.61 13.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 71.329999999999998 112.476 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -145.24 109.19 4.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.805 0.336 . . . . 73.150000000000006 110.937 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -109.35 119.5 39.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 75.510000000000005 110.844 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.59 HG23 HG13 ' G' ' 12' ' ' VAL . 4.2 p -138.96 126.15 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 44.020000000000003 111.113 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -124.82 113.13 17.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 65.340000000000003 110.904 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -116.98 125.84 52.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 75.349999999999994 110.843 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -124.8 132.79 53.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 71.049999999999997 110.882 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 16' ' ' LYS . . . . . 0.511 ' O ' HD22 ' F' ' 17' ' ' LEU . 0.1 OUTLIER -135.15 118.18 16.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 74.030000000000001 110.946 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.594 ' HB2' HD13 ' G' ' 17' ' ' LEU . 3.7 mm? -122.53 114.19 20.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 71.109999999999999 110.937 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.571 ' CG1' ' HB2' ' F' ' 21' ' ' ALA . 88.2 t -108.95 113.15 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 42.310000000000002 111.12 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.536 ' HE1' HD12 ' F' ' 17' ' ' LEU . 12.9 m-30 -103.16 106.22 16.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 74.430000000000007 110.892 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 58.78 91.58 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 74.209999999999994 110.828 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 21' ' ' ALA . . . . . 0.571 ' HB2' ' CG1' ' F' ' 18' ' ' VAL . . . -117.44 144.0 45.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 42.340000000000003 111.11 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 18.7 t0 52.75 72.04 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 63.25 110.931 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.561 HG22 ' H ' ' F' ' 26' ' ' SER . 8.1 p -112.53 129.27 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 70.219999999999999 111.105 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.03 -35.78 49.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 63.130000000000003 112.493 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 26' ' ' SER . . . . . 0.561 ' H ' HG22 ' F' ' 24' ' ' VAL . 0.4 OUTLIER -179.84 138.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.363 . . . . 61.009999999999998 110.846 -179.74 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -97.9 102.26 13.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 71.319999999999993 110.867 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.02 156.84 22.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 64.239999999999995 110.871 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.51 -138.24 48.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 52.130000000000003 112.457 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.727 ' HB2' ' CE1' ' A' ' 4' ' ' PHE . . . -95.21 111.5 23.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.736 0.303 . . . . 62.210000000000001 111.116 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.703 HG13 HG22 ' G' ' 31' ' ' ILE . 0.0 OUTLIER -122.38 117.34 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 71.150000000000006 111.097 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -132.94 117.72 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 73.010000000000005 111.122 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 33' ' ' GLY . . . . . 0.406 ' HA3' ' HB3' ' F' ' 19' ' ' PHE . . . -42.92 -49.93 6.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 72.540000000000006 112.473 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.789 ' N ' HD13 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -159.58 156.11 27.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 75.409999999999997 110.911 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 13.6 mtp -131.17 122.46 26.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 64.099999999999994 110.852 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.573 HG11 HG21 ' A' ' 36' ' ' VAL . 70.8 t -134.17 114.46 19.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 75.239999999999995 111.165 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.03 16.64 53.33 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.746 . . . . 72.219999999999999 112.477 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.89 -174.4 22.86 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 52.219999999999999 112.493 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.888 HG13 HG23 ' G' ' 39' ' ' VAL . 12.4 p -155.26 150.23 11.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.933 0.397 . . . . 61.409999999999997 111.119 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.705 ' HA ' HG22 ' G' ' 40' ' ' VAL . 21.0 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 63.020000000000003 111.162 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.798 0.332 . . . . 71.120000000000005 110.85 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.75 78.18 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 60.210000000000001 111.128 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -53.8 -34.19 58.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 75.400000000000006 110.889 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 4' ' ' PHE . . . . . 0.667 ' CE2' ' HB2' ' B' ' 30' ' ' ALA . 3.1 m-85 -154.38 113.48 3.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 75.239999999999995 110.877 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -135.73 108.92 7.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 74.030000000000001 110.841 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.88 130.5 55.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 75.209999999999994 110.851 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -135.57 101.66 4.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 74.420000000000002 110.867 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 8' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' H' ' 8' ' ' SER . 2.8 p -156.68 126.89 6.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 74.010000000000005 110.88 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.11 -26.87 13.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 33.009999999999998 112.482 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -146.93 106.96 3.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.828 0.347 . . . . 73.150000000000006 110.944 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -107.63 119.75 40.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 64.019999999999996 110.843 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 12' ' ' VAL . . . . . 0.59 HG13 HG23 ' F' ' 12' ' ' VAL . 4.1 p -137.16 126.44 36.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 73.299999999999997 111.112 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -123.99 113.09 17.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 75.329999999999998 110.857 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -116.33 125.74 52.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 64.430000000000007 110.858 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -123.76 132.93 53.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 75.219999999999999 110.895 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 16' ' ' LYS . . . . . 0.504 ' O ' HD22 ' G' ' 17' ' ' LEU . 0.1 OUTLIER -131.23 117.72 19.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 73.319999999999993 110.904 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.678 ' HB2' HD13 ' H' ' 17' ' ' LEU . 3.9 mm? -122.18 111.56 17.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 73.420000000000002 110.897 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.547 ' CG1' ' HB2' ' G' ' 21' ' ' ALA . 92.2 t -108.46 111.1 34.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 74.150000000000006 111.166 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.532 ' HE1' HD12 ' G' ' 17' ' ' LEU . 10.3 m-30 -102.52 104.31 14.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 71.420000000000002 110.915 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 58.83 91.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 62.0 110.823 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 21' ' ' ALA . . . . . 0.547 ' HB2' ' CG1' ' G' ' 18' ' ' VAL . . . -117.41 144.37 45.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 74.519999999999996 111.1 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 18.6 t0 52.38 72.78 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.540000000000006 110.909 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.583 HG22 ' H ' ' G' ' 26' ' ' SER . 8.0 p -113.06 127.65 70.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 54.329999999999998 111.161 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.79 -34.22 50.61 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.688 -0.768 . . . . 64.510000000000005 112.452 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 26' ' ' SER . . . . . 0.583 ' H ' HG22 ' G' ' 24' ' ' VAL . 0.4 OUTLIER -178.56 139.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 71.299999999999997 110.882 -179.74 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -99.51 100.28 11.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 73.219999999999999 110.867 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.78 160.45 18.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 73.340000000000003 110.864 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.67 -134.05 51.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 61.340000000000003 112.508 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.677 ' HB2' ' CE2' ' B' ' 4' ' ' PHE . . . -98.46 112.21 24.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.766 0.317 . . . . 72.310000000000002 111.133 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.781 HG13 HG22 ' H' ' 31' ' ' ILE . 0.0 OUTLIER -118.87 113.76 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 74.310000000000002 111.137 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.91 118.03 40.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 73.109999999999999 111.155 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.48 -49.08 21.36 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 74.439999999999998 112.532 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.809 ' N ' HD13 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -158.24 153.99 26.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 73.319999999999993 110.89 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 8.7 mtp -128.31 120.98 28.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 74.400000000000006 110.867 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.647 HG11 HG21 ' B' ' 36' ' ' VAL . 96.4 t -136.18 113.6 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 73.140000000000001 111.137 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.89 18.01 45.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 75.519999999999996 112.484 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.26 -174.67 23.42 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 44.149999999999999 112.533 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.916 HG13 HG23 ' H' ' 39' ' ' VAL . 14.5 p -156.93 151.23 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 61.229999999999997 111.152 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.705 HG22 ' HA ' ' F' ' 40' ' ' VAL . 16.4 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 72.299999999999997 111.099 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.801 0.334 . . . . 43.25 110.902 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.35 79.04 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 73.319999999999993 111.064 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -52.46 -33.73 45.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 63.149999999999999 110.912 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 4' ' ' PHE . . . . . 0.645 ' CE2' ' HB2' ' C' ' 30' ' ' ALA . 3.2 m-85 -153.4 113.92 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 73.319999999999993 110.908 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -134.8 108.92 8.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 64.209999999999994 110.853 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.83 130.17 55.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 55.520000000000003 110.93 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -134.96 101.87 5.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 75.439999999999998 110.84 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 8' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' G' ' 8' ' ' SER . 2.8 p -156.42 127.19 6.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 72.409999999999997 110.845 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.2 -26.99 13.96 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 64.030000000000001 112.481 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.8 106.62 3.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.882 0.372 . . . . 63.43 110.888 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -106.99 119.85 40.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 65.310000000000002 110.868 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.588 HG23 HG13 ' I' ' 12' ' ' VAL . 4.1 p -136.84 126.59 38.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 72.430000000000007 111.172 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -123.79 113.22 18.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 72.010000000000005 110.895 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -115.81 125.36 52.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 72.129999999999995 110.809 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -124.31 132.68 53.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 63.350000000000001 110.851 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 16' ' ' LYS . . . . . 0.513 ' O ' HD22 ' H' ' 17' ' ' LEU . 0.1 OUTLIER -128.8 118.86 23.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 70.25 110.904 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.678 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.2 mm? -123.13 109.92 14.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 74.019999999999996 110.897 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.496 ' CG1' ' HB2' ' H' ' 21' ' ' ALA . 92.0 t -107.9 110.94 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 71.120000000000005 111.152 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.527 ' HE1' HD12 ' H' ' 17' ' ' LEU . 8.7 m-30 -102.3 104.01 14.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 71.25 110.882 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 57.23 91.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 60.049999999999997 110.828 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 21' ' ' ALA . . . . . 0.496 ' HB2' ' CG1' ' H' ' 18' ' ' VAL . . . -118.36 144.15 46.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 54.409999999999997 111.091 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 18.7 t0 52.64 72.78 0.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 74.430000000000007 110.853 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 24' ' ' VAL . . . . . 0.595 HG22 ' H ' ' H' ' 26' ' ' SER . 7.7 p -113.43 127.45 70.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 75.510000000000005 111.117 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.76 -33.74 49.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 63.229999999999997 112.457 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 26' ' ' SER . . . . . 0.595 ' H ' HG22 ' H' ' 24' ' ' VAL . 0.4 OUTLIER -178.35 138.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 62.439999999999998 110.9 -179.731 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -99.67 99.6 10.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 74.129999999999995 110.86 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.93 160.96 18.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 74.239999999999995 110.91 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.8 -132.79 52.73 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 74.219999999999999 112.52 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 30' ' ' ALA . . . . . 0.61 ' HB2' ' CE2' ' C' ' 4' ' ' PHE . . . -98.88 111.73 24.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.743 0.306 . . . . 73.230000000000004 111.093 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.818 HG13 HG22 ' I' ' 31' ' ' ILE . 0.0 OUTLIER -116.02 111.97 37.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 72.349999999999994 111.124 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.46 117.27 38.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 75.5 111.128 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 33' ' ' GLY . . . . . 0.41 ' C ' HD13 ' H' ' 34' ' ' LEU . . . -48.99 -49.27 29.88 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 65.540000000000006 112.449 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.815 ' N ' HD13 ' H' ' 34' ' ' LEU . 0.0 OUTLIER -156.62 152.76 27.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.777 0.322 . . . . 65.420000000000002 110.936 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 10.5 mtp -128.03 119.3 25.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 62.539999999999999 110.88 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.664 HG21 HG11 ' C' ' 36' ' ' VAL . 93.6 t -137.18 113.69 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 55.009999999999998 111.149 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.45 17.69 40.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 53.549999999999997 112.517 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.81 -174.71 24.69 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 61.140000000000001 112.45 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.916 HG23 HG13 ' G' ' 39' ' ' VAL . 12.4 p -157.08 152.3 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 53.149999999999999 111.114 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' H' H ' 40' ' ' VAL . . . . . 0.697 HG22 ' HA ' ' G' ' 40' ' ' VAL . 14.4 m . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 74.120000000000005 111.15 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.881 0.372 . . . . 74.510000000000005 110.903 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.02 79.08 1.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 71.450000000000003 111.101 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -52.97 -33.21 50.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 73.239999999999995 110.887 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 4' ' ' PHE . . . . . 0.647 ' CE2' ' HB2' ' D' ' 30' ' ' ALA . 3.1 m-85 -151.88 113.92 4.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 75.239999999999995 110.854 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -133.75 108.52 8.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 73.030000000000001 110.836 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.69 130.31 55.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 65.409999999999997 110.865 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -134.53 101.74 5.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 71.120000000000005 110.847 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 8' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' H' ' 8' ' ' SER . 2.8 p -156.5 126.98 6.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 74.310000000000002 110.883 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.6 -26.93 17.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 63.020000000000003 112.5 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.73 106.76 3.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.814 0.34 . . . . 74.040000000000006 110.979 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -107.71 120.09 41.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 75.129999999999995 110.876 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 12' ' ' VAL . . . . . 0.608 HG23 HG13 ' J' ' 12' ' ' VAL . 4.1 p -136.69 126.42 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 72.010000000000005 111.139 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -122.95 113.38 19.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 62.539999999999999 110.847 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -115.25 125.76 53.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 74.140000000000001 110.849 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -125.84 132.76 52.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 62.200000000000003 110.896 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 16' ' ' LYS . . . . . 0.573 ' O ' HD22 ' I' ' 17' ' ' LEU . 0.1 OUTLIER -126.99 120.37 28.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 73.120000000000005 110.911 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.628 HD13 ' HB2' ' H' ' 17' ' ' LEU . 4.2 mm? -124.9 109.44 13.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 63.149999999999999 110.892 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 18' ' ' VAL . . . . . 0.492 ' CG1' ' HB2' ' I' ' 21' ' ' ALA . 91.2 t -107.95 111.82 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 72.439999999999998 111.13 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 19' ' ' PHE . . . . . 0.513 ' HE1' HD12 ' I' ' 17' ' ' LEU . 8.1 m-30 -102.17 102.9 13.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 74.310000000000002 110.855 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 56.45 91.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 74.5 110.857 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 21' ' ' ALA . . . . . 0.492 ' HB2' ' CG1' ' I' ' 18' ' ' VAL . . . -118.42 144.35 46.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 70.430000000000007 111.077 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 18.7 t0 53.0 72.9 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 72.319999999999993 110.868 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.595 HG22 ' H ' ' I' ' 26' ' ' SER . 7.6 p -114.5 126.97 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 64.049999999999997 111.158 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.88 -33.53 50.08 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 35.439999999999998 112.497 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 26' ' ' SER . . . . . 0.595 ' H ' HG22 ' I' ' 24' ' ' VAL . 0.4 OUTLIER -178.43 138.16 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 55.340000000000003 110.864 -179.73 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' I' I ' 27' ' ' ASN . . . . . 0.427 ' CG ' HG21 ' I' ' 31' ' ' ILE . 16.5 m-20 -99.46 99.75 10.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 74.400000000000006 110.906 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.8 160.9 18.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 71.340000000000003 110.886 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 29' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' D' ' 3' ' ' GLU . . . 58.94 -132.33 52.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 73.129999999999995 112.499 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.641 ' HB2' ' CE2' ' D' ' 4' ' ' PHE . . . -98.61 110.98 23.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.739 0.304 . . . . 71.340000000000003 111.132 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.818 HG22 HG13 ' H' ' 31' ' ' ILE . 0.0 OUTLIER -113.44 111.58 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 74.340000000000003 111.102 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -130.27 116.74 37.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 74.420000000000002 111.162 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 33' ' ' GLY . . . . . 0.478 ' C ' HD13 ' I' ' 34' ' ' LEU . . . -50.03 -49.98 34.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 61.299999999999997 112.501 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.785 ' N ' HD13 ' I' ' 34' ' ' LEU . 0.0 OUTLIER -154.73 151.84 29.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.843 0.354 . . . . 74.209999999999994 110.918 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 12.0 mtp -128.71 118.36 22.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.030000000000001 110.901 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.643 HG21 HG11 ' D' ' 36' ' ' VAL . 83.9 t -137.81 112.91 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 73.439999999999998 111.167 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.46 17.73 41.21 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 61.439999999999998 112.513 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.83 -174.29 26.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.794 -0.717 . . . . 22.219999999999999 112.486 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 0.875 HG23 HG13 ' H' ' 39' ' ' VAL . 12.7 p -157.2 151.97 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 74.019999999999996 111.152 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' I' I ' 40' ' ' VAL . . . . . 0.673 HG22 ' HA ' ' H' ' 40' ' ' VAL . 14.9 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 70.219999999999999 111.139 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.826 0.346 . . . . 64.209999999999994 110.905 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.55 79.0 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 61.119999999999997 111.123 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -52.6 -33.35 45.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 71.439999999999998 110.916 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' J' J ' 4' ' ' PHE . . . . . 0.622 ' CZ ' ' HB2' ' E' ' 30' ' ' ALA . 2.8 m-85 -151.3 114.69 4.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 53.240000000000002 110.888 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -133.44 107.99 8.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 75.430000000000007 110.824 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.21 127.25 56.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 72.239999999999995 110.896 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -130.31 101.33 5.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 73.530000000000001 110.921 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -156.93 127.6 6.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 72.230000000000004 110.878 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.33 -25.96 42.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 64.409999999999997 112.476 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.35 104.37 3.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 64.129999999999995 110.916 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -108.93 121.23 44.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 74.209999999999994 110.905 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' J' J ' 12' ' ' VAL . . . . . 0.608 HG13 HG23 ' I' ' 12' ' ' VAL . 5.0 p -137.02 127.12 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 63.310000000000002 111.133 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -121.16 113.57 20.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 52.119999999999997 110.838 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 1.8 m80 -114.24 127.12 55.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 73.430000000000007 110.911 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -128.3 133.09 48.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 71.430000000000007 110.942 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' J' J ' 16' ' ' LYS . . . . . 0.615 ' O ' HD22 ' J' ' 17' ' ' LEU . 0.1 OUTLIER -127.11 120.27 28.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 75.530000000000001 110.889 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.615 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.1 mm? -125.78 112.26 15.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 71.129999999999995 110.879 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 91.9 t -107.55 113.17 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 65.340000000000003 111.11 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.533 ' HE1' HD12 ' J' ' 17' ' ' LEU . 9.1 m-30 -102.28 99.29 9.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 75.510000000000005 110.834 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 54.13 90.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 73.099999999999994 110.884 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.36 145.27 45.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 71.310000000000002 111.068 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 18.9 t0 52.25 72.49 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 73.540000000000006 110.901 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.596 HG22 ' H ' ' J' ' 26' ' ' SER . 7.8 p -114.13 126.26 71.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 45.109999999999999 111.145 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.39 -33.66 32.55 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 74.140000000000001 112.447 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' J' J ' 26' ' ' SER . . . . . 0.596 ' H ' HG22 ' J' ' 24' ' ' VAL . 0.4 OUTLIER -179.47 137.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.949 0.404 . . . . 64.219999999999999 110.812 -179.752 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' J' J ' 27' ' ' ASN . . . . . 0.481 ' CG ' HG21 ' J' ' 31' ' ' ILE . 26.6 m-20 -98.95 99.09 10.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 71.200000000000003 110.83 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.08 160.39 18.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 73.120000000000005 110.895 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' J' J ' 29' ' ' GLY . . . . . 0.421 ' HA2' ' HA ' ' E' ' 3' ' ' GLU . . . 60.14 -134.84 50.51 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 41.240000000000002 112.438 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 0.589 ' HB2' ' CZ ' ' E' ' 4' ' ' PHE . . . -94.46 111.65 23.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 71.329999999999998 111.082 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.758 HG22 HG13 ' I' ' 31' ' ' ILE . 0.0 OUTLIER -112.36 112.76 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 71.230000000000004 111.098 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.52 114.25 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 73.5 111.145 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' J' J ' 33' ' ' GLY . . . . . 0.566 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -50.64 -47.66 45.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.758 -0.734 . . . . 71.200000000000003 112.494 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.775 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -154.35 152.05 29.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.847 0.356 . . . . 74.519999999999996 110.892 -179.905 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 10.4 mtp -130.27 117.05 19.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 75.450000000000003 110.907 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.565 HG21 HG11 ' E' ' 36' ' ' VAL . 91.7 t -141.28 111.7 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 72.540000000000006 111.139 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.29 18.18 41.68 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.762 -0.733 . . . . 64.230000000000004 112.514 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.44 -173.77 26.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.69 -0.766 . . . . 62.409999999999997 112.503 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.822 HG23 HG13 ' I' ' 39' ' ' VAL . 12.3 p -156.6 151.82 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 61.219999999999999 111.188 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.645 HG22 ' HA ' ' I' ' 40' ' ' VAL . 17.5 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 72.230000000000004 111.084 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.788 0.328 . . . . 73.129999999999995 110.893 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.78 89.06 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 72.329999999999998 111.081 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -52.01 -31.21 28.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 44.240000000000002 110.834 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.736 ' CE2' ' HB2' ' F' ' 30' ' ' ALA . 1.6 m-85 -157.64 113.87 2.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 71.109999999999999 110.86 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -133.54 108.72 8.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 72.430000000000007 110.834 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -110.64 125.65 53.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 62.219999999999999 110.844 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -132.12 101.69 5.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 71.319999999999993 110.833 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' B' ' 8' ' ' SER . 21.9 m -148.15 176.56 10.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 70.230000000000004 110.85 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.77 -8.97 38.75 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.821 -0.704 . . . . 61.030000000000001 112.497 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -172.36 110.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 73.400000000000006 110.903 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -101.29 122.43 43.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 72.319999999999993 110.874 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 20.7 t -138.79 113.8 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 52.240000000000002 111.159 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.4 m170 -108.72 133.85 52.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 72.349999999999994 110.836 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 27.2 m80 -137.79 112.61 8.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 62.200000000000003 110.878 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.95 133.95 49.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 63.130000000000003 110.901 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -127.97 117.41 21.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 73.150000000000006 110.888 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.498 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.0 mm? -118.21 111.08 18.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 75.140000000000001 110.944 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.732 HG12 ' CG2' ' B' ' 18' ' ' VAL . 35.8 m -115.89 120.48 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 72.340000000000003 111.152 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.41 ' HD2' HD12 ' B' ' 34' ' ' LEU . 11.0 m-85 -111.72 100.97 9.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 51.210000000000001 110.918 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 62.3 65.95 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 72.409999999999997 110.924 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.08 133.1 42.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 73.519999999999996 111.106 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 61.21 77.91 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 75.109999999999999 110.894 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.418 HG11 ' ND2' ' A' ' 27' ' ' ASN . 40.8 t -112.25 147.87 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 75.230000000000004 111.157 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.93 -47.31 9.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.789 -0.72 . . . . 71.319999999999993 112.477 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -161.43 121.55 2.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.882 0.373 . . . . 64.329999999999998 110.866 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.418 ' ND2' HG11 ' A' ' 24' ' ' VAL . 18.7 m120 -96.94 100.15 11.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 75.140000000000001 110.853 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.46 139.76 49.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 72.530000000000001 110.897 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.78 -140.75 22.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 61.310000000000002 112.491 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.724 ' HB2' ' CE2' ' F' ' 4' ' ' PHE . . . -102.2 113.85 27.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.341 . . . . 71.450000000000003 111.053 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.535 HD13 ' C ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -128.23 122.66 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 54.439999999999998 111.131 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -136.05 115.03 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 51.140000000000001 111.129 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.76 -45.67 8.94 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 64.209999999999994 112.525 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.816 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -168.54 146.61 4.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 73.439999999999998 110.906 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.3 ttp -129.78 127.2 39.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 74.120000000000005 110.904 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.797 HG11 HG21 ' F' ' 36' ' ' VAL . 62.6 t -132.42 114.02 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 63.340000000000003 111.154 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.59 6.07 83.98 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.731 . . . . 52.509999999999998 112.483 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.35 -170.17 43.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 64.340000000000003 112.499 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.919 HG13 HG23 ' B' ' 39' ' ' VAL . 7.1 p -168.71 146.16 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.356 . . . . 74.340000000000003 111.175 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.43 HG12 HG22 ' B' ' 40' ' ' VAL . 34.0 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 75.530000000000001 111.082 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.78 0.324 . . . . 73.519999999999996 110.875 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.82 88.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 52.350000000000001 111.111 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -52.91 -30.27 33.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 73.230000000000004 110.886 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.701 ' CE2' ' HB2' ' G' ' 30' ' ' ALA . 2.0 m-85 -158.31 113.64 2.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 71.129999999999995 110.887 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.6 tpt85 -130.86 108.74 10.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 75.540000000000006 110.842 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -109.89 125.64 53.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 73.129999999999995 110.879 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -132.48 101.21 5.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 75.310000000000002 110.915 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' C' ' 8' ' ' SER . 21.9 m -147.68 176.06 10.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 71.099999999999994 110.842 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.72 -8.89 39.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 63.109999999999999 112.468 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -172.36 109.81 0.23 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.827 0.346 . . . . 73.510000000000005 110.976 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -99.95 121.58 41.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 74.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.3 t -137.68 113.99 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 73.140000000000001 111.168 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -108.94 133.54 52.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 63.409999999999997 110.862 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -136.38 113.33 10.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 62.420000000000002 110.892 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.7 133.31 49.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 74.329999999999998 110.946 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.449 ' O ' HD22 ' B' ' 17' ' ' LEU . 7.3 tptm -126.51 117.81 23.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 62.020000000000003 110.908 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.5 ' HB2' HD13 ' C' ' 17' ' ' LEU . 3.6 mm? -120.7 111.44 17.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 74.430000000000007 110.936 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.732 ' CG2' HG12 ' A' ' 18' ' ' VAL . 27.5 m -117.73 119.8 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 65.230000000000004 111.081 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.443 ' CE1' HD12 ' B' ' 17' ' ' LEU . 5.7 m-85 -110.35 101.09 9.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 60.299999999999997 110.873 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 61.71 66.41 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 62.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.63 133.21 41.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 73.030000000000001 111.12 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 60.09 78.51 0.27 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 55.520000000000003 110.871 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 42.5 t -112.43 148.22 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 73.019999999999996 111.109 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.17 -46.78 8.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 74.049999999999997 112.477 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -160.73 121.99 2.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.858 0.361 . . . . 73.519999999999996 110.872 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -97.0 99.86 11.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 73.25 110.881 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.13 143.38 45.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 73.219999999999999 110.896 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.59 -138.82 21.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 53.020000000000003 112.479 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.689 ' HB2' ' CE2' ' G' ' 4' ' ' PHE . . . -102.97 113.28 26.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.825 0.345 . . . . 54.240000000000002 111.075 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.512 HD13 ' C ' ' B' ' 30' ' ' ALA . 0.0 OUTLIER -125.68 120.18 56.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 60.43 111.123 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -134.07 112.31 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 62.030000000000001 111.151 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.75 -44.66 8.64 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 21.23 112.473 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.87 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -165.37 149.08 8.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.79 0.329 . . . . 74.129999999999995 110.949 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.5 ttp -130.77 126.09 35.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 72.340000000000003 110.861 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.859 HG11 HG21 ' G' ' 36' ' ' VAL . 72.5 t -136.12 113.94 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 74.349999999999994 111.174 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.91 7.45 66.19 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 74.239999999999995 112.499 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.01 -170.93 45.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 53.329999999999998 112.495 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.934 HG13 HG23 ' C' ' 39' ' ' VAL . 7.2 p -168.82 145.85 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 62.509999999999998 111.125 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.482 HG12 HG22 ' C' ' 40' ' ' VAL . 33.9 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 74.420000000000002 111.095 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.787 0.327 . . . . 75.120000000000005 110.854 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.73 89.13 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 73.409999999999997 111.085 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.411 ' HA ' ' HA2' ' H' ' 29' ' ' GLY . 4.9 mp0 -52.61 -31.14 35.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 72.230000000000004 110.881 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 4' ' ' PHE . . . . . 0.659 ' CE2' ' HB2' ' H' ' 30' ' ' ALA . 2.3 m-85 -157.84 113.82 2.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 75.430000000000007 110.892 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -129.75 108.98 10.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 74.120000000000005 110.87 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 35.9 t60 -110.42 124.52 51.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 75.319999999999993 110.873 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -131.36 101.48 5.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 71.329999999999998 110.865 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 8' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' B' ' 8' ' ' SER . 22.0 m -147.93 175.71 10.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 75.5 110.863 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.01 -8.62 38.82 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.773 -0.727 . . . . 64.400000000000006 112.477 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -172.18 110.22 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.341 . . . . 72.409999999999997 110.934 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -100.08 121.9 42.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 73.400000000000006 110.917 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -138.1 114.13 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 70.549999999999997 111.144 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 56.9 m170 -109.17 132.98 53.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 75.409999999999997 110.879 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -135.38 113.78 11.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 74.510000000000005 110.83 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.08 133.33 49.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 64.450000000000003 110.902 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.496 ' O ' HD22 ' C' ' 17' ' ' LEU . 7.4 tptm -125.69 117.7 24.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 72.409999999999997 110.892 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.5 HD13 ' HB2' ' B' ' 17' ' ' LEU . 3.9 mm? -122.26 111.15 16.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 75.420000000000002 110.917 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.702 ' CG2' HG12 ' B' ' 18' ' ' VAL . 27.5 m -118.31 119.99 63.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 74.209999999999994 111.163 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.466 ' HE1' HD12 ' C' ' 17' ' ' LEU . 4.0 m-85 -109.2 100.58 9.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 75.209999999999994 110.885 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 61.11 66.89 0.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 74.129999999999995 110.901 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.69 132.62 42.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 71.430000000000007 111.089 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 60.51 78.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 71.420000000000002 110.874 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 41.6 t -112.36 148.54 15.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 52.140000000000001 111.097 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.08 -46.47 8.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.68 -0.771 . . . . 74.450000000000003 112.497 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -160.47 121.74 3.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.874 0.369 . . . . 54.140000000000001 110.825 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 70.7 m-20 -96.76 100.06 11.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 63.240000000000002 110.868 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.49 144.32 45.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 73.129999999999995 110.909 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.33 -138.01 20.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 70.420000000000002 112.535 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.657 ' HB2' ' CE2' ' H' ' 4' ' ' PHE . . . -102.63 113.24 26.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 63.219999999999999 111.114 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.511 HD13 ' C ' ' C' ' 30' ' ' ALA . 0.0 OUTLIER -124.81 119.25 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 73.200000000000003 111.101 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -133.37 113.34 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 73.099999999999994 111.125 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.407 ' HA3' ' HB3' ' C' ' 19' ' ' PHE . . . -47.4 -45.62 22.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 70.420000000000002 112.489 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.888 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -162.46 147.81 12.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.784 0.325 . . . . 71.430000000000007 110.926 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.9 ttp -129.3 124.17 33.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 63.409999999999997 110.841 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.859 HG21 HG11 ' H' ' 36' ' ' VAL . 80.6 t -136.81 113.33 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 61.43 111.105 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.68 8.03 62.62 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.766 -0.731 . . . . 65.409999999999997 112.521 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.97 -171.68 45.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 52.32 112.5 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.934 HG23 HG13 ' B' ' 39' ' ' VAL . 7.2 p -168.39 145.92 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 61.439999999999998 111.158 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.482 HG22 HG12 ' B' ' 40' ' ' VAL . 33.8 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.530000000000001 111.134 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.775 0.321 . . . . 72.340000000000003 110.838 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.2 89.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 71.409999999999997 111.115 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 3' ' ' GLU . . . . . 0.411 ' HA ' ' HA2' ' I' ' 29' ' ' GLY . 4.8 mp0 -52.62 -30.87 33.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 53.43 110.838 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 4' ' ' PHE . . . . . 0.687 ' CE2' ' HB2' ' I' ' 30' ' ' ALA . 2.0 m-85 -157.87 114.01 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 75.010000000000005 110.9 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 4.6 tpt85 -128.68 108.78 10.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 71.5 110.837 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -110.58 123.94 50.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 53.25 110.853 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -130.64 101.42 5.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 74.439999999999998 110.836 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 8' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' C' ' 8' ' ' SER . 22.2 m -148.44 174.49 12.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 64.540000000000006 110.841 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.95 -7.85 40.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 54.530000000000001 112.495 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -172.11 110.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 75.510000000000005 110.905 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -100.13 122.02 42.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 70.329999999999998 110.877 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -137.92 114.34 11.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 73.450000000000003 111.147 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -109.36 133.96 52.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.140000000000001 110.853 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 27.6 m80 -135.86 114.34 11.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 73.340000000000003 110.84 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.64 133.3 48.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 72.239999999999995 110.925 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.54 ' O ' HD22 ' D' ' 17' ' ' LEU . 7.3 tptm -124.88 116.72 22.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 72.209999999999994 110.92 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.54 HD22 ' O ' ' D' ' 16' ' ' LYS . 4.0 mm? -123.73 110.31 14.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 74.420000000000002 110.875 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.686 ' CG2' HG12 ' C' ' 18' ' ' VAL . 30.9 m -118.74 120.89 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 61.130000000000003 111.112 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.475 ' HE1' HD12 ' D' ' 17' ' ' LEU . 2.4 m-85 -108.41 100.49 9.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 64.209999999999994 110.892 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 61.29 67.87 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 73.140000000000001 110.848 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.52 132.69 42.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 50.310000000000002 111.098 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 60.73 78.26 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 64.140000000000001 110.863 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 46.0 t -112.83 147.03 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 73.450000000000003 111.114 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.84 -46.39 8.51 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 43.229999999999997 112.513 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -160.42 121.68 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 53.020000000000003 110.905 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -96.57 99.73 11.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 72.109999999999999 110.88 -179.941 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.28 145.2 43.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 74.400000000000006 110.909 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.04 -137.54 20.07 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 73.319999999999993 112.482 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.66 ' HB2' ' CE2' ' I' ' 4' ' ' PHE . . . -103.31 112.97 26.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 72.430000000000007 111.114 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.508 ' N ' HD13 ' D' ' 31' ' ' ILE . 0.0 OUTLIER -123.29 119.01 56.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 73.219999999999999 111.158 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -131.53 111.92 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 73.140000000000001 111.136 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 33' ' ' GLY . . . . . 0.431 ' HA3' ' HB3' ' D' ' 19' ' ' PHE . . . -48.08 -43.27 24.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.757 . . . . 72.450000000000003 112.519 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.89 HD22 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -163.27 147.08 10.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 73.519999999999996 110.864 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 3.2 ttp -130.48 122.97 28.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 75.420000000000002 110.907 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.856 HG21 HG11 ' I' ' 36' ' ' VAL . 74.1 t -136.77 113.26 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 54.43 111.104 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.46 8.92 60.48 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 63.340000000000003 112.509 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.55 -172.28 46.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 61.340000000000003 112.522 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.899 HG23 HG13 ' C' ' 39' ' ' VAL . 7.1 p -167.36 146.24 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 70.140000000000001 111.14 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.436 HG22 HG12 ' C' ' 40' ' ' VAL . 34.0 m . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 74.530000000000001 111.079 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.884 0.373 . . . . 73.409999999999997 110.891 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.47 88.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 75.010000000000005 111.068 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 3' ' ' GLU . . . . . 0.417 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . 5.2 mp0 -52.25 -30.89 29.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 60.240000000000002 110.904 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 4' ' ' PHE . . . . . 0.622 ' CE2' ' HB2' ' J' ' 30' ' ' ALA . 2.1 m-85 -157.72 115.0 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 63.140000000000001 110.899 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 tpt85 -128.07 108.17 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 63.32 110.864 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -111.16 123.34 50.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 72.230000000000004 110.887 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -128.82 100.96 5.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 74.150000000000006 110.878 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 22.6 m -150.02 170.88 17.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 63.439999999999998 110.811 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.27 -7.02 44.12 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 53.420000000000002 112.414 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -170.02 108.68 0.38 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.87 0.367 . . . . 74.209999999999994 110.904 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -101.12 121.45 41.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 74.299999999999997 110.872 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 21.3 t -137.77 115.57 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 55.210000000000001 111.098 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -108.89 134.26 51.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 75.439999999999998 110.836 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -133.81 113.96 12.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 73.310000000000002 110.843 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.9 133.12 46.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 75.230000000000004 110.901 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 16' ' ' LYS . . . . . 0.538 ' O ' HD22 ' E' ' 17' ' ' LEU . 7.3 tptm -124.96 115.72 21.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 74.019999999999996 110.934 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.538 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.2 mm? -124.41 110.06 14.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 72.439999999999998 110.912 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.665 ' CG2' HG12 ' D' ' 18' ' ' VAL . 27.5 m -119.38 124.35 72.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 72.030000000000001 111.12 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' E' ' 19' ' ' PHE . 1.7 m-85 -109.5 99.29 8.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 44.210000000000001 110.892 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 62.81 69.69 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 73.319999999999993 110.845 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.36 133.18 43.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 44.310000000000002 111.129 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 59.71 79.63 0.22 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 64.409999999999997 110.885 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.407 HG11 ' OD1' ' E' ' 27' ' ' ASN . 48.6 t -114.11 147.5 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 65.040000000000006 111.103 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.73 -46.14 8.05 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.685 -0.769 . . . . 55.43 112.474 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -161.21 122.98 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 75.109999999999999 110.868 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.407 ' OD1' HG11 ' E' ' 24' ' ' VAL . 77.8 m-20 -96.72 99.94 11.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 73.099999999999994 110.893 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.32 145.31 44.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 72.329999999999998 110.9 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.08 -139.47 22.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 44.219999999999999 112.486 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.634 ' HB2' ' CE2' ' J' ' 4' ' ' PHE . . . -98.95 113.44 25.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.759 0.314 . . . . 64.129999999999995 111.144 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.445 ' N ' HD13 ' E' ' 31' ' ' ILE . 0.0 OUTLIER -121.71 121.37 64.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 62.140000000000001 111.119 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 mt -133.1 110.64 15.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 71.420000000000002 111.125 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 33' ' ' GLY . . . . . 0.405 ' HA3' ' HB3' ' E' ' 19' ' ' PHE . . . -51.96 -37.95 45.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 55.409999999999997 112.443 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.709 HD22 ' O ' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -166.89 144.59 4.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.873 0.368 . . . . 53.240000000000002 110.876 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ttp -131.03 122.37 26.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 70.0 110.868 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.858 HG21 HG11 ' J' ' 36' ' ' VAL . 69.2 t -137.9 112.0 8.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 74.219999999999999 111.113 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.59 9.39 58.54 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.743 -0.741 . . . . 63.25 112.524 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -87.48 -171.33 47.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.724 . . . . 70.230000000000004 112.475 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.847 HG23 HG13 ' D' ' 39' ' ' VAL . 7.6 p -167.38 146.89 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 73.439999999999998 111.153 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.422 HG22 ' HA ' ' D' ' 40' ' ' VAL . 34.0 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 72.530000000000001 111.131 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.796 0.331 . . . . 72.549999999999997 110.854 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.06 88.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 54.439999999999998 111.102 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -52.67 -31.33 36.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 64.230000000000004 110.91 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 4' ' ' PHE . . . . . 0.724 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 1.7 m-85 -155.95 114.04 3.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 75.519999999999996 110.908 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 -132.48 108.55 9.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 72.099999999999994 110.862 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -110.39 124.89 52.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 55.210000000000001 110.845 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -131.38 101.65 5.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 74.319999999999993 110.907 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 23.1 m -148.37 176.31 10.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 64.430000000000007 110.872 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.72 -8.97 38.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 63.329999999999998 112.514 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -172.33 111.0 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.871 0.367 . . . . 73.049999999999997 110.898 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -101.17 122.44 43.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.504 . . . . 65.409999999999997 110.859 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 19.4 t -138.89 113.87 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 65.299999999999997 111.125 179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 57.8 m170 -108.58 133.75 52.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 72.310000000000002 110.849 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 27.5 m80 -137.5 112.05 8.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 71.299999999999997 110.896 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.46 133.48 49.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 70.409999999999997 110.922 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -127.75 117.34 21.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 72.200000000000003 110.904 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.484 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.0 mm? -118.32 111.05 18.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 74.040000000000006 110.896 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.731 HG12 ' CG2' ' G' ' 18' ' ' VAL . 35.7 m -115.9 120.53 65.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 51.299999999999997 111.142 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.407 ' HD2' HD12 ' G' ' 34' ' ' LEU . 11.1 m-85 -111.69 101.09 9.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 73.540000000000006 110.889 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 62.33 65.83 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 74.319999999999993 110.89 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.83 133.11 41.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 75.519999999999996 111.092 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 61.51 78.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 70.409999999999997 110.88 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.455 HG11 ' ND2' ' F' ' 27' ' ' ASN . 43.4 t -112.66 147.66 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 61.020000000000003 111.125 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.65 -47.43 8.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.788 -0.72 . . . . 22.510000000000002 112.447 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.5 m -160.63 120.99 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 63.009999999999998 110.871 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 27' ' ' ASN . . . . . 0.455 ' ND2' HG11 ' F' ' 24' ' ' VAL . 18.3 m120 -96.93 99.51 11.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 60.140000000000001 110.908 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.53 140.72 48.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 74.409999999999997 110.893 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.69 -141.13 22.44 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 52.310000000000002 112.459 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.736 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . . . -101.74 113.37 26.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 54.299999999999997 111.105 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.522 HD13 ' C ' ' F' ' 30' ' ' ALA . 0.0 OUTLIER -127.89 123.25 60.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 54.329999999999998 111.157 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -137.15 114.51 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 75.450000000000003 111.129 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.34 -45.69 8.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 72.010000000000005 112.52 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.821 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -168.7 146.48 3.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.821 0.343 . . . . 74.510000000000005 110.943 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 3.4 ttp -129.55 126.78 39.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 64.040000000000006 110.887 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.797 HG21 HG11 ' A' ' 36' ' ' VAL . 60.9 t -131.81 114.09 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 73.239999999999995 111.144 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.85 6.41 81.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 62.020000000000003 112.47 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.19 -170.66 43.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.732 . . . . 33.109999999999999 112.481 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.932 HG13 HG23 ' G' ' 39' ' ' VAL . 7.1 p -168.92 146.19 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 70.019999999999996 111.145 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.486 HG12 HG22 ' G' ' 40' ' ' VAL . 33.9 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 75.420000000000002 111.148 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.841 0.353 . . . . 74.209999999999994 110.9 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.83 88.9 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 75.319999999999993 111.128 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -52.62 -31.35 36.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 53.530000000000001 110.918 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 4' ' ' PHE . . . . . 0.689 ' CE2' ' HB2' ' B' ' 30' ' ' ALA . 2.1 m-85 -157.82 114.04 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 75.450000000000003 110.889 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 tpt85 -130.56 109.0 10.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 74.219999999999999 110.899 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -109.96 124.79 52.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 63.409999999999997 110.805 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -131.43 101.38 5.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 72.319999999999993 110.878 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 8' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' H' ' 8' ' ' SER . 22.5 m -148.11 175.74 10.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 63.530000000000001 110.884 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.63 -8.57 39.93 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 53.100000000000001 112.492 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -172.68 110.24 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.89 0.376 . . . . 75.319999999999993 110.927 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -100.23 121.76 41.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 63.229999999999997 110.906 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 21.3 t -137.76 113.98 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 64.230000000000004 111.136 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 57.6 m170 -108.71 133.36 52.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 75.129999999999995 110.843 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 27.4 m80 -136.19 113.25 10.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 71.400000000000006 110.824 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.5 133.1 49.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 65.319999999999993 110.905 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 16' ' ' LYS . . . . . 0.459 ' O ' HD22 ' G' ' 17' ' ' LEU . 7.2 tptm -126.44 117.67 23.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 74.109999999999999 110.877 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.484 HD13 ' HB2' ' F' ' 17' ' ' LEU . 3.6 mm? -120.86 111.05 17.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 74.109999999999999 110.924 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.731 ' CG2' HG12 ' F' ' 18' ' ' VAL . 28.2 m -117.53 119.76 62.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 70.209999999999994 111.106 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.449 ' CE1' HD12 ' G' ' 17' ' ' LEU . 5.7 m-85 -110.26 101.17 9.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 71.209999999999994 110.866 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 61.74 66.18 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 72.120000000000005 110.894 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.58 132.79 41.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 52.43 111.128 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 60.98 78.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 74.030000000000001 110.875 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.436 HG11 ' ND2' ' G' ' 27' ' ' ASN . 43.4 t -113.38 147.86 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 75.519999999999996 111.113 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.55 -46.99 8.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 23.309999999999999 112.5 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 4.7 m -159.85 121.45 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 74.129999999999995 110.849 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 27' ' ' ASN . . . . . 0.436 ' ND2' HG11 ' G' ' 24' ' ' VAL . 17.3 m120 -97.22 99.49 10.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 65.129999999999995 110.869 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.08 144.29 44.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 75.230000000000004 110.913 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.57 -139.18 22.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.703 -0.761 . . . . 71.129999999999995 112.51 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.701 ' HB2' ' CE2' ' B' ' 4' ' ' PHE . . . -102.79 113.23 26.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.785 0.326 . . . . 50.119999999999997 111.074 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.504 HD13 ' C ' ' G' ' 30' ' ' ALA . 0.0 OUTLIER -125.67 120.67 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 72.310000000000002 111.139 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -134.53 112.1 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 62.299999999999997 111.134 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 33' ' ' GLY . . . . . 0.403 ' HA3' ' HB3' ' G' ' 19' ' ' PHE . . . -44.77 -44.95 8.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.728 -0.749 . . . . 31.309999999999999 112.476 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.879 HD22 ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -165.11 149.07 8.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.781 0.324 . . . . 73.140000000000001 110.904 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 2.5 ttp -130.44 126.02 35.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 73.439999999999998 110.863 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.859 HG21 HG11 ' B' ' 36' ' ' VAL . 74.7 t -136.06 113.8 14.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 73.409999999999997 111.131 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.44 7.7 64.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 73.200000000000003 112.53 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.1 -171.2 45.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.689 -0.767 . . . . 74.239999999999995 112.442 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.932 HG23 HG13 ' F' ' 39' ' ' VAL . 7.1 p -169.07 146.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 65.420000000000002 111.146 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.486 HG22 HG12 ' F' ' 40' ' ' VAL . 34.0 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 52.409999999999997 111.157 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.768 0.318 . . . . 72.439999999999998 110.84 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.29 88.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 64.510000000000005 111.083 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -52.14 -31.63 31.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 70.129999999999995 110.857 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 4' ' ' PHE . . . . . 0.657 ' CE2' ' HB2' ' C' ' 30' ' ' ALA . 2.2 m-85 -157.42 114.1 2.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 74.140000000000001 110.91 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -129.71 108.95 10.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 75.109999999999999 110.883 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -110.16 124.35 51.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 62.240000000000002 110.869 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -131.21 101.55 5.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 73.019999999999996 110.886 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 8' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' G' ' 8' ' ' SER . 21.7 m -147.98 175.44 10.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 74.219999999999999 110.855 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.72 -8.46 39.93 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.701 -0.761 . . . . 73.430000000000007 112.468 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -172.39 110.24 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.372 . . . . 54.539999999999999 110.909 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -99.89 122.12 42.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.136 -0.483 . . . . 64.430000000000007 110.932 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -138.39 114.19 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 71.439999999999998 111.093 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -109.22 133.22 53.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 71.120000000000005 110.876 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 27.8 m80 -135.56 113.92 11.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 71.049999999999997 110.867 180.0 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.72 133.23 49.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 73.430000000000007 110.934 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 16' ' ' LYS . . . . . 0.502 ' O ' HD22 ' H' ' 17' ' ' LEU . 7.3 tptm -125.55 117.11 22.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 62.130000000000003 110.851 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.502 HD22 ' O ' ' H' ' 16' ' ' LYS . 3.9 mm? -122.19 111.25 16.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 72.129999999999995 110.884 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.7 ' CG2' HG12 ' G' ' 18' ' ' VAL . 27.5 m -118.7 120.26 63.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 73.409999999999997 111.138 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.471 ' HE1' HD12 ' H' ' 17' ' ' LEU . 3.9 m-85 -109.45 100.58 9.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 75.430000000000007 110.842 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 61.11 67.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 73.129999999999995 110.852 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.8 132.53 42.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 74.219999999999999 111.055 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 60.73 79.01 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 53.32 110.875 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 41.9 t -112.85 148.21 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 74.450000000000003 111.118 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.21 -46.51 8.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 31.440000000000001 112.493 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -159.81 121.35 3.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.835 0.35 . . . . 72.140000000000001 110.876 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 70.6 m-20 -97.22 99.39 10.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 73.109999999999999 110.87 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.04 145.38 43.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 41.399999999999999 110.876 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 29' ' ' GLY . . . . . 0.411 ' HA2' ' HA ' ' C' ' 3' ' ' GLU . . . 78.1 -138.51 21.41 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.724 -0.751 . . . . 54.43 112.483 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 30' ' ' ALA . . . . . 0.659 ' HB2' ' CE2' ' C' ' 4' ' ' PHE . . . -102.46 112.94 25.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.729 0.299 . . . . 64.25 111.132 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.503 HD13 ' C ' ' H' ' 30' ' ' ALA . 0.0 OUTLIER -124.42 119.58 56.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 74.450000000000003 111.08 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -133.59 113.06 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 72.010000000000005 111.083 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 33' ' ' GLY . . . . . 0.415 ' HA3' ' HB3' ' H' ' 19' ' ' PHE . . . -47.38 -45.47 22.15 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.765 -0.731 . . . . 44.240000000000002 112.454 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.899 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -162.61 147.61 12.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.827 0.346 . . . . 65.129999999999995 110.943 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 3.0 ttp -129.27 123.65 32.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 71.099999999999994 110.917 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.859 HG11 HG21 ' C' ' 36' ' ' VAL . 80.4 t -136.4 113.79 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 73.540000000000006 111.122 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.3 8.14 61.68 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 51.009999999999998 112.46 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.72 -171.96 46.27 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.713 -0.756 . . . . 71.310000000000002 112.485 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.92 HG23 HG13 ' G' ' 39' ' ' VAL . 7.2 p -168.74 146.09 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 73.540000000000006 111.177 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' H' H ' 40' ' ' VAL . . . . . 0.45 HG22 HG12 ' G' ' 40' ' ' VAL . 33.9 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 71.549999999999997 111.127 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.852 0.358 . . . . 71.340000000000003 110.891 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.82 88.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 61.450000000000003 111.127 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -52.14 -31.37 30.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 71.239999999999995 110.906 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 4' ' ' PHE . . . . . 0.66 ' CE2' ' HB2' ' D' ' 30' ' ' ALA . 2.1 m-85 -157.5 114.16 2.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 73.219999999999999 110.943 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -128.95 108.7 10.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 72.420000000000002 110.888 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -110.52 123.93 50.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 74.140000000000001 110.846 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -130.72 101.47 5.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 64.129999999999995 110.846 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 8' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' H' ' 8' ' ' SER . 21.3 m -148.39 174.6 11.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 73.200000000000003 110.813 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.75 -8.11 40.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.765 -0.731 . . . . 72.239999999999995 112.49 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -172.13 110.32 0.26 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.876 0.37 . . . . 75.409999999999997 110.905 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -99.77 122.04 42.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.491 . . . . 75.040000000000006 110.852 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 21.3 t -137.99 114.27 10.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 63.43 111.1 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 57.6 m170 -109.41 133.91 52.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 71.140000000000001 110.846 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -135.61 114.31 11.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 71.329999999999998 110.83 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.4 133.16 48.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 73.439999999999998 110.88 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 16' ' ' LYS . . . . . 0.546 ' O ' HD22 ' I' ' 17' ' ' LEU . 7.3 tptm -124.92 116.45 22.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 74.439999999999998 110.937 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.546 HD22 ' O ' ' I' ' 16' ' ' LYS . 4.0 mm? -123.68 110.38 14.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 75.319999999999993 110.914 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 18' ' ' VAL . . . . . 0.692 ' CG2' HG12 ' H' ' 18' ' ' VAL . 31.3 m -118.83 120.86 65.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 73.519999999999996 111.108 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 19' ' ' PHE . . . . . 0.467 ' HE1' HD12 ' I' ' 17' ' ' LEU . 2.4 m-85 -108.46 100.44 9.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 72.019999999999996 110.883 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 61.43 68.22 0.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 51.420000000000002 110.854 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.84 132.98 42.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 42.450000000000003 111.091 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 60.43 79.09 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 61.039999999999999 110.831 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 43.3 t -113.66 147.34 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 65.140000000000001 111.187 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.5 -46.49 7.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 61.210000000000001 112.527 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 4.7 m -159.65 121.18 3.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 55.109999999999999 110.846 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 73.1 m-20 -97.04 99.19 10.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 74.109999999999999 110.893 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.4 146.48 42.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 63.149999999999999 110.869 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 29' ' ' GLY . . . . . 0.411 ' HA2' ' HA ' ' D' ' 3' ' ' GLU . . . 77.79 -137.95 20.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.791 -0.719 . . . . 71.340000000000003 112.463 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.687 ' HB2' ' CE2' ' D' ' 4' ' ' PHE . . . -103.11 112.85 25.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.76 0.314 . . . . 53.5 111.15 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.508 ' N ' HD13 ' I' ' 31' ' ' ILE . 0.0 OUTLIER -123.13 119.82 58.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 71.530000000000001 111.115 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -132.36 111.86 18.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 74.150000000000006 111.13 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 33' ' ' GLY . . . . . 0.416 ' HA3' ' HB3' ' I' ' 19' ' ' PHE . . . -48.39 -43.07 26.77 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 51.229999999999997 112.499 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.894 HD22 ' O ' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -163.6 146.95 10.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 64.530000000000001 110.896 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 3.1 ttp -130.12 122.96 29.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 70.420000000000002 110.901 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.856 HG11 HG21 ' D' ' 36' ' ' VAL . 71.3 t -137.18 113.61 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 64.129999999999995 111.139 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.38 8.77 59.95 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.727 . . . . 73.140000000000001 112.444 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.0 -173.36 46.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 72.030000000000001 112.494 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 0.909 HG23 HG13 ' H' ' 39' ' ' VAL . 7.2 p -167.34 146.51 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 64.230000000000004 111.111 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' I' I ' 40' ' ' VAL . . . . . 0.427 ' HA ' HG22 ' J' ' 40' ' ' VAL . 34.1 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 75.150000000000006 111.101 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.791 0.329 . . . . 73.319999999999993 110.879 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.82 88.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 75.109999999999999 111.053 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -51.96 -31.5 29.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.46 . . . . 71.530000000000001 110.953 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' J' J ' 4' ' ' PHE . . . . . 0.634 ' CE2' ' HB2' ' E' ' 30' ' ' ALA . 2.1 m-85 -157.88 115.04 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 75.129999999999995 110.867 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 4.4 tpt85 -128.6 108.55 10.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 73.299999999999997 110.849 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -111.0 123.06 49.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 75.109999999999999 110.857 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -128.88 101.12 5.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 73.129999999999995 110.832 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 23.8 m -149.52 170.4 18.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 71.040000000000006 110.845 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.41 -7.06 46.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 61.420000000000002 112.466 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -170.51 108.4 0.33 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.856 0.36 . . . . 72.0 110.951 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -100.18 121.16 41.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 74.099999999999994 110.857 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 21.3 t -137.73 115.01 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 65.349999999999994 111.12 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 57.5 m170 -108.46 134.72 50.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 61.439999999999998 110.882 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 27.3 m80 -134.34 113.75 12.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 74.530000000000001 110.867 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.69 132.96 46.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 71.030000000000001 110.935 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' J' J ' 16' ' ' LYS . . . . . 0.54 ' O ' HD22 ' J' ' 17' ' ' LEU . 7.2 tptm -124.92 115.77 21.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 74.209999999999994 110.917 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.54 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.2 mm? -124.52 109.89 13.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 75.519999999999996 110.891 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.679 ' CG2' HG12 ' I' ' 18' ' ' VAL . 26.4 m -119.3 124.48 73.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 73.400000000000006 111.122 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' J' ' 19' ' ' PHE . 1.6 m-85 -109.89 99.25 8.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 73.120000000000005 110.895 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 62.82 70.06 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 74.319999999999993 110.89 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.05 132.83 44.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 74.409999999999997 111.117 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 60.12 79.76 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 73.200000000000003 110.84 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.404 HG11 ' OD1' ' J' ' 27' ' ' ASN . 47.4 t -114.48 147.79 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 62.219999999999999 111.144 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.07 -46.48 7.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 73.420000000000002 112.484 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 4.5 m -160.35 121.86 3.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 73.519999999999996 110.855 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' J' J ' 27' ' ' ASN . . . . . 0.404 ' OD1' HG11 ' J' ' 24' ' ' VAL . 76.4 m-20 -96.65 99.25 10.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 64.209999999999994 110.911 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.05 146.7 42.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 63.43 110.885 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' J' J ' 29' ' ' GLY . . . . . 0.417 ' HA2' ' HA ' ' E' ' 3' ' ' GLU . . . 77.53 -140.56 24.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 73.430000000000007 112.538 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 0.622 ' HB2' ' CE2' ' E' ' 4' ' ' PHE . . . -98.4 112.91 24.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 72.230000000000004 111.108 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.439 ' N ' HD13 ' J' ' 31' ' ' ILE . 0.0 OUTLIER -121.44 121.96 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 61.530000000000001 111.101 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 mt -132.91 110.38 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 64.349999999999994 111.133 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' J' J ' 33' ' ' GLY . . . . . 0.401 ' HA3' ' HB3' ' J' ' 19' ' ' PHE . . . -51.83 -36.85 42.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.746 . . . . 52.5 112.509 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.719 HD22 ' O ' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -168.23 144.7 3.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.76 0.314 . . . . 74.299999999999997 110.932 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 3.5 ttp -130.51 121.69 26.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 62.310000000000002 110.903 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.858 HG11 HG21 ' E' ' 36' ' ' VAL . 78.4 t -138.27 111.7 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 63.340000000000003 111.163 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.29 9.02 60.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 61.439999999999998 112.485 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.41 -170.78 45.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.789 -0.719 . . . . 64.010000000000005 112.465 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.843 HG23 HG13 ' I' ' 39' ' ' VAL . 7.6 p -167.96 147.02 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.389 . . . . 73.120000000000005 111.117 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.427 HG22 ' HA ' ' I' ' 40' ' ' VAL . 34.2 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 74.219999999999999 111.11 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.821 0.343 . . . . 61.329999999999998 110.857 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.08 91.72 7.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 73.219999999999999 111.12 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' GLU . . . . . 0.551 ' HB3' ' HA2' ' F' ' 29' ' ' GLY . 3.4 mm-40 -56.32 -40.41 74.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 74.310000000000002 110.93 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -169.92 116.34 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 72.519999999999996 110.892 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -103.51 108.28 19.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 71.310000000000002 110.873 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -109.29 114.91 28.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 74.219999999999999 110.806 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -135.16 100.76 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 61.329999999999998 110.847 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.488 ' O ' ' HA ' ' B' ' 8' ' ' SER . 80.0 p -147.91 127.91 13.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 64.439999999999998 110.871 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.57 -21.5 21.38 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.746 -0.74 . . . . 44.43 112.452 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -159.74 111.56 2.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 71.319999999999993 110.9 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -109.65 119.68 40.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 63.210000000000001 110.867 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.6 t -138.19 134.9 44.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 74.140000000000001 111.109 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -130.51 112.71 13.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 74.230000000000004 110.824 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -117.04 126.46 52.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 71.129999999999995 110.852 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.557 ' HG3' HG12 ' F' ' 39' ' ' VAL . 0.0 OUTLIER -130.09 133.48 46.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 61.310000000000002 110.892 -179.922 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.506 ' C ' HD22 ' A' ' 17' ' ' LEU . 8.7 tttp -126.4 125.04 41.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 73.409999999999997 110.881 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.662 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.5 mm? -124.22 103.09 8.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 74.549999999999997 110.935 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.696 HG12 ' HB2' ' A' ' 21' ' ' ALA . 2.1 t -109.61 111.22 35.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 61.200000000000003 111.158 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.446 ' HD2' HD12 ' B' ' 34' ' ' LEU . 7.4 m-85 -102.94 138.83 39.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 73.519999999999996 110.812 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.645 ' CE1' HG22 ' A' ' 31' ' ' ILE . 16.7 m-85 62.02 39.97 12.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 74.310000000000002 110.906 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.696 ' HB2' HG12 ' A' ' 18' ' ' VAL . . . -91.35 121.91 33.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 72.239999999999995 111.083 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 60.49 75.49 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 65.209999999999994 110.878 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.641 ' CG1' HG23 ' B' ' 24' ' ' VAL . 4.0 p -129.28 142.64 43.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 72.150000000000006 111.112 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.91 -48.48 78.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 73.310000000000002 112.495 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.07 141.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 61.219999999999999 110.883 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ASN . . . . . 0.528 ' OD1' HG21 ' A' ' 31' ' ' ILE . 93.9 m-20 -101.22 107.83 19.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 54.32 110.869 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.81 159.92 18.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 52.43 110.916 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.93 -128.94 22.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 64.140000000000001 112.471 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.16 113.79 26.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.323 . . . . 62.130000000000003 111.065 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.645 HG22 ' CE1' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -128.42 124.81 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 71.140000000000001 111.145 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 mt -134.78 116.56 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 73.430000000000007 111.15 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.408 ' N ' ' CZ ' ' A' ' 20' ' ' PHE . . . -47.46 -53.08 12.97 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.719 -0.753 . . . . 64.129999999999995 112.458 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.828 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -159.01 153.31 23.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 74.409999999999997 110.926 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.1 mtp -132.98 131.32 40.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 62.43 110.851 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 1.085 HG11 HG21 ' F' ' 36' ' ' VAL . 50.6 t -121.11 115.61 47.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 72.030000000000001 111.143 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 54.18 27.89 40.44 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 41.32 112.497 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.97 -177.55 17.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.787 -0.721 . . . . 61.5 112.501 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.56 HG12 ' HG3' ' F' ' 15' ' ' GLN . 8.0 p -148.96 136.26 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.377 . . . . 53.020000000000003 111.139 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.456 ' C ' HG22 ' B' ' 40' ' ' VAL . 22.0 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 61.530000000000001 111.095 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.821 0.343 . . . . 33.32 110.872 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 2' ' ' ALA . . . . . 0.404 ' HB1' ' HG2' ' B' ' 5' ' ' ARG . . . -88.61 95.46 10.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 73.209999999999994 111.091 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 3' ' ' GLU . . . . . 0.513 ' HB3' ' HA2' ' G' ' 29' ' ' GLY . 4.4 mm-40 -54.28 -32.89 57.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 70.310000000000002 110.935 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -168.45 118.91 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 74.209999999999994 110.877 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 5' ' ' ARG . . . . . 0.404 ' HG2' ' HB1' ' B' ' 2' ' ' ALA . 5.7 mmt85 -105.46 107.89 19.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 71.430000000000007 110.828 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -108.69 116.24 31.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 70.140000000000001 110.862 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -131.98 100.98 5.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 65.219999999999999 110.884 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.513 ' O ' ' HA ' ' C' ' 8' ' ' SER . 79.5 p -148.0 126.43 12.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 75.109999999999999 110.86 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.88 -20.93 21.43 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.776 -0.726 . . . . 74.129999999999995 112.492 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 10' ' ' TYR . . . . . 0.406 ' HD1' HG23 ' B' ' 12' ' ' VAL . 0.9 OUTLIER -161.29 109.04 1.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.89 0.376 . . . . 71.400000000000006 110.961 -179.839 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -106.9 120.2 41.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 65.519999999999996 110.894 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 12' ' ' VAL . . . . . 0.406 HG23 ' HD1' ' B' ' 10' ' ' TYR . 41.3 t -137.3 135.57 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 74.430000000000007 111.131 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -131.33 112.8 13.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 75.420000000000002 110.834 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -115.61 128.44 55.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 61.25 110.865 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.574 ' HG3' HG12 ' G' ' 39' ' ' VAL . 0.0 OUTLIER -128.94 134.3 48.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 53.509999999999998 110.905 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.571 ' O ' HD22 ' B' ' 17' ' ' LEU . 8.3 tttp -124.2 125.79 45.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 65.209999999999994 110.926 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.669 ' HB2' HD13 ' C' ' 17' ' ' LEU . 4.6 mm? -127.6 102.15 6.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 71.420000000000002 110.946 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.854 HG12 ' HB2' ' B' ' 21' ' ' ALA . 1.5 t -109.31 113.25 43.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 53.100000000000001 111.152 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.488 ' CE1' HD12 ' B' ' 17' ' ' LEU . 4.8 m-85 -107.7 134.3 50.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 71.439999999999998 110.892 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.651 ' HE1' HG22 ' B' ' 31' ' ' ILE . 20.5 m-85 62.13 39.45 12.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 70.420000000000002 110.84 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.854 ' HB2' HG12 ' B' ' 18' ' ' VAL . . . -91.24 124.3 35.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 64.120000000000005 111.069 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 57.45 75.38 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 72.239999999999995 110.895 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.683 HG11 HG23 ' C' ' 24' ' ' VAL . 6.7 p -127.42 142.25 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 73.319999999999993 111.167 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.46 -47.08 92.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 31.539999999999999 112.527 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.97 140.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 72.540000000000006 110.856 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.55 ' OD1' HG21 ' B' ' 31' ' ' ILE . 92.2 m-20 -101.85 107.96 19.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 64.209999999999994 110.901 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.67 161.17 16.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 72.200000000000003 110.882 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.11 -130.08 18.59 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 54.130000000000003 112.488 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.72 114.18 26.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.751 0.31 . . . . 72.140000000000001 111.091 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.651 HG22 ' HE1' ' B' ' 20' ' ' PHE . 0.5 OUTLIER -127.56 121.9 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 64.329999999999998 111.162 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.4 HG21 ' HG3' ' B' ' 35' ' ' MET . 6.8 mt -131.44 118.06 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 73.310000000000002 111.168 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' GLY . . . . . 0.4 ' N ' ' CZ ' ' B' ' 20' ' ' PHE . . . -48.07 -52.97 15.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 75.120000000000005 112.493 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.842 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -155.83 151.65 27.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 73.310000000000002 110.904 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.4 ' HG3' HG21 ' B' ' 32' ' ' ILE . 5.4 mtp -129.23 124.92 35.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 74.109999999999999 110.868 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 1.034 HG21 HG11 ' G' ' 36' ' ' VAL . 53.2 t -121.73 113.64 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 44.130000000000003 111.178 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.88 28.51 31.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.751 . . . . 21.41 112.527 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.35 -178.05 17.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 41.43 112.482 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.574 HG12 ' HG3' ' G' ' 15' ' ' GLN . 7.3 p -149.37 135.09 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.371 . . . . 53.310000000000002 111.151 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.501 ' C ' HG22 ' C' ' 40' ' ' VAL . 19.2 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 74.329999999999998 111.088 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.812 0.339 . . . . 65.340000000000003 110.859 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 2' ' ' ALA . . . . . 0.442 ' HB1' ' HG2' ' C' ' 5' ' ' ARG . . . -89.71 95.18 10.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 54.439999999999998 111.068 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.422 ' HA ' ' HG3' ' B' ' 3' ' ' GLU . 4.2 mm-40 -55.82 -30.97 62.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 62.109999999999999 110.887 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -169.52 115.74 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 73.109999999999999 110.92 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 5' ' ' ARG . . . . . 0.442 ' HG2' ' HB1' ' C' ' 2' ' ' ALA . 5.6 mmt85 -105.82 106.99 17.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 75.299999999999997 110.916 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -108.31 117.73 34.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 71.510000000000005 110.882 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -130.88 100.18 5.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 75.530000000000001 110.906 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 8' ' ' SER . . . . . 0.513 ' HA ' ' O ' ' B' ' 8' ' ' SER . 79.4 p -147.5 127.37 13.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 62.420000000000002 110.853 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.23 -20.95 23.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.697 -0.763 . . . . 63.210000000000001 112.51 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 10' ' ' TYR . . . . . 0.406 ' HD1' HG23 ' C' ' 12' ' ' VAL . 1.0 OUTLIER -162.01 110.94 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 55.439999999999998 110.922 -179.811 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -108.19 120.37 42.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 73.200000000000003 110.874 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 12' ' ' VAL . . . . . 0.406 HG23 ' HD1' ' C' ' 10' ' ' TYR . 41.6 t -136.87 135.69 48.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 63.219999999999999 111.148 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -131.07 113.09 13.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 74.209999999999994 110.849 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -114.14 130.37 56.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 74.310000000000002 110.862 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 15' ' ' GLN . . . . . 0.519 ' HG3' HG12 ' H' ' 39' ' ' VAL . 0.0 OUTLIER -130.1 134.12 47.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 74.450000000000003 110.931 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.627 ' O ' HD22 ' C' ' 17' ' ' LEU . 8.3 tttp -123.46 123.96 41.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 72.540000000000006 110.905 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.669 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.6 mm? -129.34 101.95 6.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 71.239999999999995 110.946 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.857 HG12 ' HB2' ' C' ' 21' ' ' ALA . 1.4 t -110.51 114.48 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 62.340000000000003 111.138 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.467 ' HE1' HD12 ' C' ' 17' ' ' LEU . 3.4 m-85 -108.06 133.69 52.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 74.519999999999996 110.877 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.659 ' HE1' HG22 ' C' ' 31' ' ' ILE . 21.0 m-85 60.64 40.66 16.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 73.310000000000002 110.877 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.857 ' HB2' HG12 ' C' ' 18' ' ' VAL . . . -90.42 124.9 35.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 72.430000000000007 111.106 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 53.87 75.18 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 75.200000000000003 110.854 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.692 HG11 HG23 ' D' ' 24' ' ' VAL . 9.3 p -123.3 140.55 46.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 70.420000000000002 111.126 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.17 -46.14 94.25 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.772 -0.728 . . . . 55.420000000000002 112.5 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.9 137.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 63.299999999999997 110.849 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.518 ' OD1' HG21 ' C' ' 31' ' ' ILE . 92.4 m-20 -101.56 106.62 17.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 74.430000000000007 110.897 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.45 161.21 15.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.230000000000004 110.911 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.92 -131.6 23.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.803 -0.713 . . . . 73.540000000000006 112.462 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.01 114.07 25.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 35.200000000000003 111.12 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.659 HG22 ' HE1' ' C' ' 20' ' ' PHE . 0.5 OUTLIER -127.0 121.46 58.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 74.239999999999995 111.13 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.47 HG21 ' HG3' ' C' ' 35' ' ' MET . 6.9 mt -130.51 117.99 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 64.010000000000005 111.128 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.45 -53.03 17.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 52.109999999999999 112.525 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.867 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -154.41 149.64 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.349 . . . . 73.310000000000002 110.871 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.47 ' HG3' HG21 ' C' ' 32' ' ' ILE . 6.0 mtp -128.15 123.25 33.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 64.129999999999995 110.862 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 1.001 HG21 HG11 ' H' ' 36' ' ' VAL . 62.1 t -122.71 112.53 34.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 73.010000000000005 111.134 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.82 31.01 30.45 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.741 . . . . 72.319999999999993 112.506 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.23 -178.7 16.65 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 40.149999999999999 112.477 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.545 HG23 HG13 ' B' ' 39' ' ' VAL . 7.7 p -149.46 134.56 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 74.230000000000004 111.139 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.526 ' C ' HG22 ' D' ' 40' ' ' VAL . 18.1 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 73.310000000000002 111.167 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.789 0.328 . . . . 73.140000000000001 110.851 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 2' ' ' ALA . . . . . 0.493 ' HB1' ' HG2' ' D' ' 5' ' ' ARG . . . -90.12 93.87 9.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 73.0 111.066 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 3' ' ' GLU . . . . . 0.403 ' HA ' ' HG3' ' C' ' 3' ' ' GLU . 4.1 mm-40 -55.21 -29.28 57.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 74.209999999999994 110.889 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -170.4 115.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 70.129999999999995 110.888 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 5' ' ' ARG . . . . . 0.493 ' HG2' ' HB1' ' D' ' 2' ' ' ALA . 5.7 mmt85 -106.63 106.53 17.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 61.509999999999998 110.868 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -107.53 119.21 38.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 75.540000000000006 110.9 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -130.14 100.05 5.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 75.129999999999995 110.879 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 8' ' ' SER . . . . . 0.508 ' HA ' ' O ' ' C' ' 8' ' ' SER . 79.5 p -148.05 127.27 12.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 53.340000000000003 110.875 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.48 -21.1 26.23 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.752 . . . . 64.409999999999997 112.511 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -162.43 110.9 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.861 0.362 . . . . 73.340000000000003 110.928 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -108.02 120.81 43.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 75.299999999999997 110.934 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 41.7 t -136.67 135.76 48.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 60.140000000000001 111.102 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -130.38 114.11 15.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 75.299999999999997 110.858 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -113.5 131.69 55.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 71.450000000000003 110.862 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 15' ' ' GLN . . . . . 0.433 ' HG3' HG12 ' I' ' 39' ' ' VAL . 0.0 OUTLIER -132.01 133.76 44.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 74.109999999999999 110.91 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.664 ' O ' HD22 ' D' ' 17' ' ' LEU . 8.3 tttp -122.6 121.69 37.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 64.319999999999993 110.867 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.664 HD22 ' O ' ' D' ' 16' ' ' LYS . 4.6 mm? -130.48 101.44 5.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 65.329999999999998 110.952 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.845 HG12 ' HB2' ' D' ' 21' ' ' ALA . 0.8 OUTLIER -110.57 116.41 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 75.420000000000002 111.12 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.494 ' HD2' HD12 ' E' ' 34' ' ' LEU . 2.2 m-85 -108.06 133.58 52.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 72.510000000000005 110.852 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.651 ' HE1' HG22 ' D' ' 31' ' ' ILE . 19.7 m-85 58.5 40.67 23.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 74.299999999999997 110.882 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 21' ' ' ALA . . . . . 0.845 ' HB2' HG12 ' D' ' 18' ' ' VAL . . . -90.36 124.08 34.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 74.439999999999998 111.066 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 54.09 73.27 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 73.109999999999999 110.859 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.692 HG23 HG11 ' C' ' 24' ' ' VAL . 9.9 p -119.11 138.03 51.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 63.549999999999997 111.13 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.91 -44.55 96.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.759 -0.734 . . . . 71.450000000000003 112.461 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.43 134.45 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 75.299999999999997 110.884 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.496 ' OD1' HG21 ' D' ' 31' ' ' ILE . 92.5 m-20 -101.23 106.43 17.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 72.519999999999996 110.851 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.83 161.46 15.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 62.340000000000003 110.92 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.73 -131.99 27.17 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 41.399999999999999 112.49 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.08 114.03 25.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.758 0.313 . . . . 73.540000000000006 111.119 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.651 HG22 ' HE1' ' D' ' 20' ' ' PHE . 0.5 OUTLIER -127.62 121.36 56.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 64.409999999999997 111.149 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.562 HG21 ' HG3' ' D' ' 35' ' ' MET . 6.9 mt -129.62 118.19 44.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 44.539999999999999 111.158 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.11 -54.11 16.32 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.689 -0.767 . . . . 71.209999999999994 112.457 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.882 HD22 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -152.18 146.8 25.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.772 0.32 . . . . 72.319999999999993 110.902 -179.894 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.562 ' HG3' HG21 ' D' ' 32' ' ' ILE . 6.5 mtp -127.89 123.1 34.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 61.420000000000002 110.908 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 1.022 HG11 HG21 ' I' ' 36' ' ' VAL . 59.4 t -125.53 112.39 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 63.530000000000001 111.135 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.3 31.27 34.5 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.695 -0.764 . . . . 63.530000000000001 112.483 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.12 -178.85 16.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 61.119999999999997 112.519 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.527 HG23 HG13 ' C' ' 39' ' ' VAL . 9.0 p -149.53 134.08 9.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.918 0.39 . . . . 74.109999999999999 111.123 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.526 HG22 ' C ' ' C' ' 40' ' ' VAL . 18.4 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 72.109999999999999 111.112 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.815 0.341 . . . . 71.120000000000005 110.897 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 2' ' ' ALA . . . . . 0.511 ' HB1' ' HG2' ' E' ' 5' ' ' ARG . . . -89.69 93.31 9.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 75.439999999999998 111.086 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -55.44 -27.21 46.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 71.329999999999998 110.873 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 4' ' ' PHE . . . . . 0.425 ' CD1' ' HB2' ' J' ' 30' ' ' ALA . 1.8 t80 -168.98 118.18 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 73.430000000000007 110.87 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 5' ' ' ARG . . . . . 0.511 ' HG2' ' HB1' ' E' ' 2' ' ' ALA . 5.8 mmt85 -107.27 106.4 16.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 73.129999999999995 110.899 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -108.2 119.19 38.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 54.340000000000003 110.886 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -128.28 99.44 5.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 62.340000000000003 110.863 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 8' ' ' SER . . . . . 0.469 ' HA ' ' O ' ' D' ' 8' ' ' SER . 79.5 p -150.06 129.88 13.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 74.510000000000005 110.84 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.09 -20.25 48.9 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.742 . . . . 61.5 112.533 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -162.17 111.08 1.45 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.866 0.365 . . . . 72.510000000000005 110.931 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -110.03 120.29 41.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 64.030000000000001 110.895 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 37.6 t -136.89 137.55 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 74.150000000000006 111.082 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 13' ' ' HIS . . . . . 0.505 ' HB3' HG21 ' J' ' 39' ' ' VAL . 36.9 m170 -130.94 113.58 14.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 72.329999999999998 110.852 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -111.17 132.02 54.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 73.540000000000006 110.839 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.96 137.5 47.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 64.099999999999994 110.925 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 16' ' ' LYS . . . . . 0.709 ' O ' HD22 ' E' ' 17' ' ' LEU . 7.6 tttp -123.24 120.04 31.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 74.430000000000007 110.878 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.709 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.5 mm? -132.09 101.97 5.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 72.049999999999997 110.937 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.797 HG12 ' HB2' ' E' ' 21' ' ' ALA . 0.2 OUTLIER -111.14 120.52 61.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 75.129999999999995 111.116 179.877 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.486 ' HE1' HD12 ' E' ' 17' ' ' LEU . 1.8 m-85 -110.35 133.1 53.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 70.239999999999995 110.898 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.546 ' HE1' HG22 ' E' ' 31' ' ' ILE . 20.6 m-85 55.63 40.2 30.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 75.519999999999996 110.883 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 21' ' ' ALA . . . . . 0.797 ' HB2' HG12 ' E' ' 18' ' ' VAL . . . -90.07 125.11 35.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 74.109999999999999 111.087 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 52.64 73.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 74.099999999999994 110.891 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.666 HG23 HG11 ' D' ' 24' ' ' VAL . 9.9 p -117.01 135.93 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 71.239999999999995 111.122 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.5 -43.12 97.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 63.030000000000001 112.495 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.68 128.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 73.510000000000005 110.881 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.519 ' OD1' HG21 ' E' ' 31' ' ' ILE . 85.7 m-20 -99.0 107.81 20.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 61.140000000000001 110.858 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.44 162.94 15.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 71.299999999999997 110.895 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 29' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' J' ' 3' ' ' GLU . . . 49.84 -133.27 27.4 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 63.200000000000003 112.469 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.78 113.78 25.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 72.299999999999997 111.08 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.546 HG22 ' HE1' ' E' ' 20' ' ' PHE . 0.5 OUTLIER -127.75 119.95 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 74.200000000000003 111.149 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.577 HG21 ' HG3' ' E' ' 35' ' ' MET . 6.6 mt -124.66 117.48 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 75.129999999999995 111.1 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 33' ' ' GLY . . . . . 0.479 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -50.02 -49.21 36.87 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.735 -0.745 . . . . 61.520000000000003 112.504 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.816 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -152.95 149.91 28.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 75.439999999999998 110.906 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.577 ' HG3' HG21 ' E' ' 32' ' ' ILE . 7.4 mtp -132.03 121.65 24.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 64.319999999999993 110.855 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.997 HG21 HG11 ' J' ' 36' ' ' VAL . 69.7 t -128.41 110.63 21.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 72.120000000000005 111.131 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.22 30.98 18.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 41.310000000000002 112.477 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.11 -178.33 17.18 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.739 . . . . 75.409999999999997 112.477 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.412 HG21 ' HB3' ' J' ' 13' ' ' HIS . 9.1 p -149.52 135.67 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.37 . . . . 61.240000000000002 111.092 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.424 HG22 ' C ' ' D' ' 40' ' ' VAL . 19.0 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 71.409999999999997 111.128 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.81 0.338 . . . . 63.229999999999997 110.896 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 2' ' ' ALA . . . . . 0.571 ' HB1' ' HG2' ' F' ' 5' ' ' ARG . . . -81.24 86.48 6.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 71.420000000000002 111.12 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -51.83 -36.32 47.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 75.140000000000001 110.911 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -158.52 115.75 2.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 72.430000000000007 110.893 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 5' ' ' ARG . . . . . 0.571 ' HG2' ' HB1' ' F' ' 2' ' ' ALA . 5.5 mmt85 -107.77 108.57 19.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.129999999999995 110.901 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -110.87 113.86 26.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 71.409999999999997 110.872 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -127.56 105.68 8.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 72.219999999999999 110.86 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 8' ' ' SER . . . . . 0.455 ' O ' ' HA ' ' G' ' 8' ' ' SER . 79.3 p -144.79 127.69 16.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 75.120000000000005 110.885 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.46 -20.62 24.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.707 -0.759 . . . . 75.5 112.529 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 10' ' ' TYR . . . . . 0.414 ' HD1' HG23 ' F' ' 12' ' ' VAL . 0.8 OUTLIER -160.07 111.27 1.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 73.5 110.926 -179.828 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -108.76 119.08 38.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.503 . . . . 72.430000000000007 110.918 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 12' ' ' VAL . . . . . 0.414 HG23 ' HD1' ' F' ' 10' ' ' TYR . 39.1 t -138.53 136.66 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 51.119999999999997 111.156 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -132.26 113.16 12.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 62.350000000000001 110.872 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 3.5 m80 -118.28 125.46 50.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 61.25 110.845 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 15' ' ' GLN . . . . . 0.56 ' HG3' HG12 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -130.71 134.78 47.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 71.319999999999993 110.944 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' F' F ' 16' ' ' LYS . . . . . 0.486 ' C ' HD22 ' F' ' 17' ' ' LEU . 8.8 tttp -126.55 123.64 38.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 74.030000000000001 110.943 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.661 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.5 mm? -122.61 102.74 8.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 72.349999999999994 110.996 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.695 HG12 ' HB2' ' F' ' 21' ' ' ALA . 2.1 t -110.84 112.33 40.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 60.520000000000003 111.106 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.416 ' HD2' HD12 ' G' ' 34' ' ' LEU . 7.8 m-85 -102.05 137.46 40.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 75.209999999999994 110.916 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 20' ' ' PHE . . . . . 0.607 ' CE1' HG22 ' F' ' 31' ' ' ILE . 16.1 m-85 61.52 41.08 12.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 72.439999999999998 110.863 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 21' ' ' ALA . . . . . 0.695 ' HB2' HG12 ' F' ' 18' ' ' VAL . . . -91.98 124.05 35.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 73.140000000000001 111.133 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 61.03 75.11 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 72.120000000000005 110.876 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.642 ' CG1' HG23 ' G' ' 24' ' ' VAL . 3.7 p -130.66 141.7 45.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 55.130000000000003 111.125 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.3 -47.49 87.5 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.731 . . . . 74.120000000000005 112.481 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.75 141.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 50.149999999999999 110.847 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 27' ' ' ASN . . . . . 0.498 ' OD1' HG21 ' F' ' 31' ' ' ILE . 78.9 m-20 -99.78 104.83 16.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 65.420000000000002 110.886 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.49 162.05 16.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 51.329999999999998 110.899 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 29' ' ' GLY . . . . . 0.551 ' HA2' ' HB3' ' A' ' 3' ' ' GLU . . . 50.26 -134.66 28.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 72.329999999999998 112.479 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.78 112.96 24.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.724 0.297 . . . . 54.439999999999998 111.145 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.607 HG22 ' CE1' ' F' ' 20' ' ' PHE . 0.4 OUTLIER -126.89 129.48 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.418 . . . . 52.200000000000003 111.154 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 10.5 mt -135.91 116.2 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 54.130000000000003 111.204 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 33' ' ' GLY . . . . . 0.42 ' N ' ' CZ ' ' F' ' 20' ' ' PHE . . . -46.63 -55.24 8.24 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 74.530000000000001 112.465 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.835 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -160.15 152.91 21.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.835 0.35 . . . . 61.119999999999997 110.894 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 5.5 mtp -131.66 128.2 38.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 71.150000000000006 110.88 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 1.085 HG21 HG11 ' A' ' 36' ' ' VAL . 52.2 t -121.37 115.93 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 72.439999999999998 111.134 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.6 27.54 34.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 65.230000000000004 112.442 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.53 -177.79 16.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 70.409999999999997 112.451 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.571 ' O ' HG23 ' G' ' 39' ' ' VAL . 9.9 p -149.14 137.47 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.916 0.389 . . . . 53.240000000000002 111.089 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.486 ' C ' HG22 ' G' ' 40' ' ' VAL . 19.6 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 75.430000000000007 111.146 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.823 0.344 . . . . 73.140000000000001 110.833 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 2' ' ' ALA . . . . . 0.546 ' HB1' ' HG2' ' G' ' 5' ' ' ARG . . . -81.88 84.72 6.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 72.299999999999997 111.11 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 3' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' H' ' 3' ' ' GLU . 3.1 mm-40 -50.55 -32.27 18.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 60.210000000000001 110.85 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -165.66 115.85 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 72.540000000000006 110.84 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 5' ' ' ARG . . . . . 0.546 ' HG2' ' HB1' ' G' ' 2' ' ' ALA . 5.7 mmt85 -109.54 108.99 19.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 74.040000000000006 110.855 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -111.53 115.59 29.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 60.039999999999999 110.883 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -127.73 104.77 8.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 54.119999999999997 110.842 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 8' ' ' SER . . . . . 0.487 ' O ' ' HA ' ' H' ' 8' ' ' SER . 79.5 p -146.72 126.06 13.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 74.150000000000006 110.897 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.09 -20.1 26.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 42.299999999999997 112.524 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 10' ' ' TYR . . . . . 0.409 ' HD1' HG23 ' G' ' 12' ' ' VAL . 0.8 OUTLIER -161.31 107.85 1.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 62.350000000000001 110.906 -179.807 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -105.61 119.48 39.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 52.240000000000002 110.91 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 12' ' ' VAL . . . . . 0.409 HG23 ' HD1' ' G' ' 10' ' ' TYR . 41.1 t -137.17 136.39 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 72.340000000000003 111.148 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -132.02 113.42 13.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 71.340000000000003 110.834 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -116.37 128.16 55.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 75.239999999999995 110.864 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 15' ' ' GLN . . . . . 0.574 ' HG3' HG12 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -130.82 134.77 47.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 74.150000000000006 110.912 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' G' G ' 16' ' ' LYS . . . . . 0.561 ' O ' HD22 ' G' ' 17' ' ' LEU . 8.5 tttp -124.89 125.47 44.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 74.219999999999999 110.89 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.666 ' HB2' HD13 ' H' ' 17' ' ' LEU . 4.5 mm? -126.73 101.06 6.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 64.329999999999998 110.895 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.815 HG12 ' HB2' ' G' ' 21' ' ' ALA . 1.5 t -109.17 114.23 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 75.150000000000006 111.149 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.458 ' HE1' HD12 ' G' ' 17' ' ' LEU . 4.3 m-85 -107.29 133.59 51.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 75.239999999999995 110.859 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 0.587 ' CE1' HG22 ' G' ' 31' ' ' ILE . 18.1 m-85 62.38 39.39 12.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 62.229999999999997 110.86 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 21' ' ' ALA . . . . . 0.815 ' HB2' HG12 ' G' ' 18' ' ' VAL . . . -91.47 127.31 36.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 52.210000000000001 111.105 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 56.43 75.72 0.33 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 71.349999999999994 110.859 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.691 HG11 HG23 ' H' ' 24' ' ' VAL . 8.4 p -128.73 140.05 50.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 54.520000000000003 111.13 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.87 -46.01 92.91 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 62.109999999999999 112.451 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.82 140.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.909 0.385 . . . . 71.150000000000006 110.886 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 27' ' ' ASN . . . . . 0.462 ' OD1' HG21 ' G' ' 31' ' ' ILE . 83.0 m-20 -102.1 103.83 14.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 53.219999999999999 110.897 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.25 163.98 13.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 64.230000000000004 110.892 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 29' ' ' GLY . . . . . 0.513 ' HA2' ' HB3' ' B' ' 3' ' ' GLU . . . 49.99 -134.62 27.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.743 . . . . 73.239999999999995 112.482 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.03 113.42 25.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.786 0.326 . . . . 74.420000000000002 111.109 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.587 HG22 ' CE1' ' G' ' 20' ' ' PHE . 0.5 OUTLIER -125.88 127.73 71.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 61.329999999999998 111.181 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 10.0 mt -134.03 116.72 23.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 71.120000000000005 111.123 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 33' ' ' GLY . . . . . 0.411 ' N ' ' CZ ' ' G' ' 20' ' ' PHE . . . -48.65 -57.24 8.64 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 53.25 112.471 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.848 HD22 ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -155.3 151.69 28.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 73.319999999999993 110.87 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 5.2 mtp -129.83 123.13 30.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 65.019999999999996 110.882 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 1.034 HG11 HG21 ' B' ' 36' ' ' VAL . 56.7 t -121.1 112.95 37.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 61.420000000000002 111.136 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.19 28.62 34.75 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.743 -0.741 . . . . 64.019999999999996 112.477 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.6 -177.79 16.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 72.430000000000007 112.519 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.574 HG12 ' HG3' ' B' ' 15' ' ' GLN . 7.3 p -149.81 134.84 10.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 72.439999999999998 111.148 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.507 ' C ' HG22 ' H' ' 40' ' ' VAL . 19.2 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 75.010000000000005 111.143 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.836 0.351 . . . . 73.239999999999995 110.815 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 2' ' ' ALA . . . . . 0.426 ' HB1' ' HG2' ' H' ' 5' ' ' ARG . . . -81.79 87.31 6.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 55.039999999999999 111.095 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 3' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' G' ' 3' ' ' GLU . 3.9 mm-40 -49.66 -33.98 17.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 74.209999999999994 110.945 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.95 115.33 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 73.150000000000006 110.844 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 5' ' ' ARG . . . . . 0.426 ' HG2' ' HB1' ' H' ' 2' ' ' ALA . 5.8 mmt85 -107.68 109.58 21.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 73.209999999999994 110.861 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -111.3 113.58 26.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 72.219999999999999 110.847 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -125.15 103.74 8.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 72.510000000000005 110.868 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 8' ' ' SER . . . . . 0.495 ' O ' ' HA ' ' I' ' 8' ' ' SER . 79.7 p -145.95 125.92 13.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 74.549999999999997 110.851 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.12 -20.24 27.07 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 72.409999999999997 112.499 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 10' ' ' TYR . . . . . 0.408 ' HD1' HG23 ' H' ' 12' ' ' VAL . 0.9 OUTLIER -162.07 107.65 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 64.239999999999995 110.946 -179.848 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -105.43 119.71 39.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 62.149999999999999 110.89 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 12' ' ' VAL . . . . . 0.408 HG23 ' HD1' ' H' ' 10' ' ' TYR . 40.7 t -136.83 136.42 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 70.319999999999993 111.148 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -131.76 113.27 13.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 61.310000000000002 110.886 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 3.7 m80 -115.16 128.99 56.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 64.25 110.862 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 15' ' ' GLN . . . . . 0.529 ' HG3' HG12 ' C' ' 39' ' ' VAL . 0.0 OUTLIER -130.29 134.58 47.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 72.430000000000007 110.919 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' H' H ' 16' ' ' LYS . . . . . 0.633 ' O ' HD22 ' H' ' 17' ' ' LEU . 8.2 tttp -123.5 124.12 42.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.446 . . . . 75.439999999999998 110.911 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.666 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.6 mm? -129.19 101.16 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 71.420000000000002 110.936 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.827 HG12 ' HB2' ' H' ' 21' ' ' ALA . 1.2 t -110.6 115.39 49.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 65.030000000000001 111.091 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.459 ' HE1' HD12 ' H' ' 17' ' ' LEU . 2.9 m-85 -107.9 133.11 52.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 60.140000000000001 110.914 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 20' ' ' PHE . . . . . 0.555 ' HE1' HG22 ' H' ' 31' ' ' ILE . 19.1 m-85 61.12 39.94 15.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 64.420000000000002 110.867 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 21' ' ' ALA . . . . . 0.827 ' HB2' HG12 ' H' ' 18' ' ' VAL . . . -91.02 128.53 36.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 43.530000000000001 111.091 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 52.8 75.65 0.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 75.030000000000001 110.84 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 24' ' ' VAL . . . . . 0.702 HG11 HG23 ' I' ' 24' ' ' VAL . 9.5 p -125.04 138.77 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 62.539999999999999 111.108 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.09 -44.98 94.46 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.772 -0.728 . . . . 53.530000000000001 112.46 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.28 136.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 74.140000000000001 110.815 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -101.82 103.44 14.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 73.109999999999999 110.869 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.97 164.21 13.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 70.400000000000006 110.858 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 29' ' ' GLY . . . . . 0.41 ' HA2' ' HB3' ' C' ' 3' ' ' GLU . . . 50.92 -134.97 31.04 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.705 -0.759 . . . . 34.049999999999997 112.474 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.78 113.8 26.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.748 0.309 . . . . 72.530000000000001 111.074 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.555 HG22 ' HE1' ' H' ' 20' ' ' PHE . 0.5 OUTLIER -127.14 127.39 69.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 73.0 111.118 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' H' H ' 32' ' ' ILE . . . . . 0.41 HG21 ' HG3' ' H' ' 35' ' ' MET . 7.8 mt -131.83 117.37 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 72.219999999999999 111.162 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.57 -57.28 9.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 64.439999999999998 112.449 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.871 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -153.89 149.19 27.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.852 0.358 . . . . 70.329999999999998 110.863 -179.884 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' H' H ' 35' ' ' MET . . . . . 0.41 ' HG3' HG21 ' H' ' 32' ' ' ILE . 6.1 mtp -128.42 122.59 31.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 51.130000000000003 110.897 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 1.001 HG11 HG21 ' C' ' 36' ' ' VAL . 60.0 t -122.51 112.12 33.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.267 -0.424 . . . . 73.420000000000002 111.124 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.21 29.99 30.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.742 . . . . 75.319999999999993 112.472 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.33 -177.98 17.03 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.731 . . . . 34.25 112.5 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.534 HG13 HG23 ' I' ' 39' ' ' VAL . 7.5 p -149.64 132.71 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 64.319999999999993 111.153 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' H' H ' 40' ' ' VAL . . . . . 0.523 ' C ' HG22 ' I' ' 40' ' ' VAL . 18.2 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 62.43 111.136 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.773 0.321 . . . . 64.150000000000006 110.877 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 2' ' ' ALA . . . . . 0.412 ' HB1' ' HG2' ' I' ' 5' ' ' ARG . . . -83.42 92.0 7.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 30.32 111.082 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 3' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' H' ' 3' ' ' GLU . 4.2 mm-40 -49.61 -35.89 22.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 75.340000000000003 110.903 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -169.38 116.27 0.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 71.420000000000002 110.849 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 5' ' ' ARG . . . . . 0.412 ' HG2' ' HB1' ' I' ' 2' ' ' ALA . 5.7 mmt85 -105.7 108.78 20.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 74.340000000000003 110.869 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -110.24 113.27 25.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 74.010000000000005 110.801 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -124.95 103.85 8.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 64.25 110.873 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 8' ' ' SER . . . . . 0.495 ' HA ' ' O ' ' H' ' 8' ' ' SER . 79.4 p -146.79 125.75 12.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 71.530000000000001 110.862 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.66 -20.83 26.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.783 -0.722 . . . . 51.409999999999997 112.507 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 10' ' ' TYR . . . . . 0.401 ' HD1' HG23 ' I' ' 12' ' ' VAL . 0.9 OUTLIER -162.12 108.47 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 74.129999999999995 110.886 -179.844 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -106.43 120.16 41.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 71.25 110.87 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 12' ' ' VAL . . . . . 0.401 HG23 ' HD1' ' I' ' 10' ' ' TYR . 41.1 t -137.13 136.28 47.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 71.049999999999997 111.098 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -130.97 113.4 13.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 71.129999999999995 110.859 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -114.07 130.62 56.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 63.229999999999997 110.866 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 15' ' ' GLN . . . . . 0.449 ' HG3' HG12 ' D' ' 39' ' ' VAL . 0.0 OUTLIER -131.57 133.96 45.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 70.340000000000003 110.921 -179.908 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' I' I ' 16' ' ' LYS . . . . . 0.675 ' O ' HD22 ' I' ' 17' ' ' LEU . 8.3 tttp -122.0 121.54 37.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 74.319999999999993 110.894 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.675 HD22 ' O ' ' I' ' 16' ' ' LYS . 4.6 mm? -130.24 101.06 5.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 71.409999999999997 110.969 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 18' ' ' VAL . . . . . 0.832 HG12 ' HB2' ' I' ' 21' ' ' ALA . 0.7 OUTLIER -111.33 116.82 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 74.209999999999994 111.093 179.867 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' I' I ' 19' ' ' PHE . . . . . 0.481 ' HD2' HD12 ' J' ' 34' ' ' LEU . 2.1 m-85 -107.96 133.24 52.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 73.319999999999993 110.882 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 20' ' ' PHE . . . . . 0.479 ' HE1' HG22 ' I' ' 31' ' ' ILE . 18.1 m-85 59.42 39.31 22.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 73.450000000000003 110.894 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 21' ' ' ALA . . . . . 0.832 ' HB2' HG12 ' I' ' 18' ' ' VAL . . . -90.74 128.37 36.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 50.149999999999999 111.091 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 51.62 73.62 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 74.310000000000002 110.863 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.702 HG23 HG11 ' H' ' 24' ' ' VAL . 8.7 p -119.89 135.92 58.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 73.340000000000003 111.118 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.76 -43.69 91.85 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.749 -0.738 . . . . 63.420000000000002 112.472 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.99 132.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 72.219999999999999 110.849 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -101.39 102.41 13.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 71.409999999999997 110.916 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.63 164.73 12.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.319999999999993 110.877 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.71 -135.58 33.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 74.239999999999995 112.505 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.75 114.64 27.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.756 0.312 . . . . 64.549999999999997 111.145 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.479 HG22 ' HE1' ' I' ' 20' ' ' PHE . 0.5 OUTLIER -129.32 128.2 66.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 74.120000000000005 111.124 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' I' I ' 32' ' ' ILE . . . . . 0.478 HG21 ' HG3' ' I' ' 35' ' ' MET . 7.2 mt -130.42 117.41 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 71.420000000000002 111.111 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.77 -57.72 9.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 74.430000000000007 112.494 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.881 HD22 ' O ' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -152.58 146.3 25.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 72.099999999999994 110.936 -179.897 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' I' I ' 35' ' ' MET . . . . . 0.478 ' HG3' HG21 ' I' ' 32' ' ' ILE . 6.3 mtp -128.62 122.5 31.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 75.329999999999998 110.835 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 1.022 HG21 HG11 ' D' ' 36' ' ' VAL . 57.6 t -125.05 112.89 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 62.420000000000002 111.123 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.36 29.71 31.19 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.701 -0.761 . . . . 60.43 112.513 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.41 -177.6 16.95 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.716 -0.754 . . . . 73.329999999999998 112.467 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 0.534 HG23 HG13 ' H' ' 39' ' ' VAL . 8.6 p -149.69 134.84 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.376 . . . . 74.349999999999994 111.18 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' I' I ' 40' ' ' VAL . . . . . 0.523 HG22 ' C ' ' H' ' 40' ' ' VAL . 18.0 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 53.210000000000001 111.11 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.842 0.353 . . . . 53.130000000000003 110.868 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.08 93.64 7.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 71.439999999999998 111.08 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' J' J ' 3' ' ' GLU . . . . . 0.414 ' O ' ' HA2' ' E' ' 29' ' ' GLY . 3.7 mm-40 -49.5 -40.4 37.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 71.340000000000003 110.859 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -165.91 119.68 1.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 72.230000000000004 110.903 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -100.53 108.07 19.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 73.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -110.78 111.14 22.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 75.230000000000004 110.887 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -123.15 103.29 8.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 60.130000000000003 110.841 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' J' J ' 8' ' ' SER . . . . . 0.485 ' HA ' ' O ' ' I' ' 8' ' ' SER . 79.5 p -148.73 127.17 12.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 73.239999999999995 110.84 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.56 -20.18 37.37 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.739 . . . . 72.140000000000001 112.469 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -162.9 108.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 73.409999999999997 110.925 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -107.58 119.89 40.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 70.230000000000004 110.941 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 38.6 t -137.32 136.71 46.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 61.109999999999999 111.082 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' J' J ' 13' ' ' HIS . . . . . 0.412 ' HB3' HG21 ' E' ' 39' ' ' VAL . 33.4 m170 -129.97 113.43 14.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 73.040000000000006 110.834 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 3.6 m80 -112.71 131.31 55.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 72.200000000000003 110.842 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.51 137.52 47.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 64.420000000000002 110.893 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 16' ' ' LYS . . . . . 0.707 ' O ' HD22 ' J' ' 17' ' ' LEU . 7.7 tttp -123.29 119.82 31.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 74.439999999999998 110.901 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.707 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.5 mm? -131.62 100.46 5.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 72.140000000000001 110.875 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.786 HG12 ' HB2' ' J' ' 21' ' ' ALA . 0.2 OUTLIER -110.37 121.44 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 64.420000000000002 111.121 179.811 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.459 ' HE1' HD12 ' J' ' 17' ' ' LEU . 1.7 m-85 -111.3 132.26 54.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 75.400000000000006 110.909 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 20' ' ' PHE . . . . . 0.416 ' HE1' HG22 ' J' ' 31' ' ' ILE . 19.7 m-85 57.53 38.08 27.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 73.310000000000002 110.859 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 21' ' ' ALA . . . . . 0.786 ' HB2' HG12 ' J' ' 18' ' ' VAL . . . -90.75 129.86 36.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 51.329999999999998 111.136 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 50.82 74.52 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 62.229999999999997 110.901 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.681 HG23 HG11 ' I' ' 24' ' ' VAL . 7.7 p -119.11 135.03 60.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 64.340000000000003 111.076 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.52 -41.63 97.29 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 74.200000000000003 112.513 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.59 127.13 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.864 0.364 . . . . 74.439999999999998 110.867 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 27' ' ' ASN . . . . . 0.404 ' OD1' HG21 ' J' ' 24' ' ' VAL . 76.0 m-20 -101.38 99.93 10.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 72.420000000000002 110.882 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.87 168.84 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 74.200000000000003 110.903 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.19 -135.66 35.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 60.420000000000002 112.436 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 0.425 ' HB2' ' CD1' ' E' ' 4' ' ' PHE . . . -94.12 114.1 26.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.764 0.316 . . . . 72.099999999999994 111.09 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.416 HG22 ' HE1' ' J' ' 20' ' ' PHE . 0.6 OUTLIER -128.26 127.37 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 73.450000000000003 111.078 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' J' J ' 32' ' ' ILE . . . . . 0.532 HG21 ' HG3' ' J' ' 35' ' ' MET . 7.3 mt -126.18 115.2 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 73.019999999999996 111.099 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 33' ' ' GLY . . . . . 0.489 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -49.49 -55.61 12.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.688 -0.768 . . . . 74.230000000000004 112.542 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.823 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -152.85 149.25 28.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 72.450000000000003 110.888 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' J' J ' 35' ' ' MET . . . . . 0.532 ' HG3' HG21 ' J' ' 32' ' ' ILE . 7.4 mtp -132.29 121.49 23.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 75.340000000000003 110.849 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.997 HG11 HG21 ' E' ' 36' ' ' VAL . 57.8 t -128.92 110.99 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 63.119999999999997 111.13 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.62 29.39 24.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.731 . . . . 61.329999999999998 112.452 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.98 -177.0 17.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.772 -0.728 . . . . 51.020000000000003 112.451 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.505 HG21 ' HB3' ' E' ' 13' ' ' HIS . 9.2 p -149.01 136.33 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 64.430000000000007 111.119 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.504 HG22 ' C ' ' I' ' 40' ' ' VAL . 18.5 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 64.140000000000001 111.128 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.791 0.329 . . . . 74.409999999999997 110.869 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.41 72.33 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 62.509999999999998 111.071 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -52.0 -32.14 32.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 75.5 110.824 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.614 ' CE2' ' HB2' ' F' ' 30' ' ' ALA . 0.2 OUTLIER -158.59 113.0 2.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 64.420000000000002 110.891 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.42 107.28 6.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 75.109999999999999 110.925 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -108.02 123.93 49.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 75.430000000000007 110.841 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -126.16 100.47 6.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 54.25 110.902 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.2 t -149.33 176.36 10.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 60.140000000000001 110.876 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.4 -12.24 29.36 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.729 -0.748 . . . . 72.150000000000006 112.464 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.38 113.04 0.28 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.851 0.358 . . . . 72.319999999999993 110.939 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -106.49 124.82 50.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 73.340000000000003 110.883 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -136.78 113.94 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 72.140000000000001 111.116 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -121.82 117.08 25.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 73.329999999999998 110.887 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.416 ' CD2' ' HB2' ' B' ' 14' ' ' HIS . 6.2 m80 -126.25 129.91 49.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 53.329999999999998 110.815 -179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 50.6 mm-40 -132.36 135.14 45.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 72.099999999999994 110.912 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -124.38 125.76 44.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 65.329999999999998 110.855 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.604 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.4 mm? -120.59 101.73 7.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 53.43 110.906 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.549 HG12 ' HB2' ' A' ' 21' ' ' ALA . 2.1 t -112.46 115.61 50.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 63.539999999999999 111.098 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.539 ' HE1' HD12 ' A' ' 17' ' ' LEU . 5.0 m-85 -103.91 142.13 34.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 73.329999999999998 110.915 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.644 ' HE1' HG22 ' A' ' 31' ' ' ILE . 24.2 m-85 62.97 33.84 14.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 74.5 110.942 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.549 ' HB2' HG12 ' A' ' 18' ' ' VAL . . . -89.47 134.24 34.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 63.200000000000003 111.121 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 61.83 76.7 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 73.120000000000005 110.877 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.2 p -146.1 145.02 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 71.310000000000002 111.115 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.19 -46.24 94.89 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 61.509999999999998 112.503 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.5 152.18 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 62.149999999999999 110.905 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.79 99.73 9.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 74.450000000000003 110.928 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.93 151.68 38.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 65.450000000000003 110.936 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.55 -125.55 26.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.808 -0.71 . . . . 53.140000000000001 112.474 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.643 ' HB2' ' CE2' ' F' ' 4' ' ' PHE . . . -102.81 113.75 27.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.756 0.312 . . . . 74.329999999999998 111.139 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.928 HD13 HG23 ' B' ' 31' ' ' ILE . 0.1 OUTLIER -132.67 125.75 53.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 74.140000000000001 111.145 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.0 mt -130.91 119.96 46.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 71.109999999999999 111.126 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.99 -57.12 15.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.751 . . . . 73.349999999999994 112.475 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.874 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -156.29 149.37 24.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 74.349999999999994 110.913 -179.895 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.93 129.4 49.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 71.439999999999998 110.86 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.803 HG21 HG11 ' F' ' 36' ' ' VAL . 11.0 t -118.43 110.17 29.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 73.409999999999997 111.084 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.65 -55.07 4.69 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 45.329999999999998 112.491 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.55 162.21 54.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.776 -0.726 . . . . 53.200000000000003 112.473 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.815 ' C ' HG21 ' B' ' 39' ' ' VAL . 7.6 p -156.51 143.69 10.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.842 0.353 . . . . 74.319999999999993 111.1 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.6 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 71.019999999999996 111.135 179.901 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 . . . . . 0 C--O 1.23 0.029 0 CA-C-O 120.825 0.345 . . . . 74.540000000000006 110.895 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 2' ' ' ALA . . . . . 0.427 ' HA ' ' HB3' ' C' ' 2' ' ' ALA . . . -114.83 72.67 0.8 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 54.450000000000003 111.078 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -49.79 -30.52 9.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 65.319999999999993 110.891 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.616 ' CE2' ' HB2' ' G' ' 30' ' ' ALA . 0.2 OUTLIER -158.45 111.91 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 74.010000000000005 110.924 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.97 106.88 7.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.010000000000005 110.902 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 24.4 t-80 -108.18 124.36 50.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 74.319999999999993 110.858 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -128.94 99.83 5.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 65.140000000000001 110.909 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 16.2 t -147.34 175.88 10.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 70.25 110.876 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.21 -12.48 31.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 63.229999999999997 112.459 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.65 111.77 0.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.87 0.366 . . . . 64.549999999999997 110.943 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -104.92 124.17 49.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.501 . . . . 74.129999999999995 110.907 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 t -134.47 114.07 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 72.450000000000003 111.17 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 59.2 m170 -120.97 119.59 32.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 62.329999999999998 110.868 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 14' ' ' HIS . . . . . 0.416 ' HB2' ' CD2' ' A' ' 14' ' ' HIS . 6.3 m80 -125.82 132.79 52.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 73.25 110.842 179.993 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 62.3 mm-40 -130.84 133.03 45.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 65.519999999999996 110.911 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.561 ' O ' HD22 ' B' ' 17' ' ' LEU . 5.5 tttp -122.78 126.49 47.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 74.530000000000001 110.918 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.604 HD13 ' HB2' ' A' ' 17' ' ' LEU . 4.6 mm? -127.83 100.57 5.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 74.239999999999995 110.865 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.762 HG12 ' HB2' ' B' ' 21' ' ' ALA . 1.9 t -112.64 118.83 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 62.32 111.141 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.472 ' HE1' HD12 ' B' ' 17' ' ' LEU . 2.1 m-85 -108.96 138.01 45.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 75.549999999999997 110.897 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.634 ' HE1' HG22 ' B' ' 31' ' ' ILE . 27.8 m-85 63.85 30.58 14.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 75.5 110.898 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.762 ' HB2' HG12 ' B' ' 18' ' ' VAL . . . -88.66 133.32 34.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 71.310000000000002 111.073 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.97 76.41 0.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 61.219999999999999 110.813 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.41 ' CG1' HG23 ' C' ' 24' ' ' VAL . 11.5 p -145.82 143.85 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 75.230000000000004 111.095 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.5 -45.5 95.45 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.783 -0.722 . . . . 55.520000000000003 112.496 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.82 151.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.367 . . . . 73.349999999999994 110.855 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.79 100.21 9.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 75.25 110.86 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.77 151.73 38.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 63.409999999999997 110.909 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.22 -125.38 24.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 44.420000000000002 112.455 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.679 ' O ' HD12 ' A' ' 31' ' ' ILE . . . -102.94 113.12 26.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.742 0.305 . . . . 61.210000000000001 111.099 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.928 HG23 HD13 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -132.26 123.47 50.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 52.43 111.13 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 mt -129.74 119.96 48.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 72.030000000000001 111.138 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.03 -59.11 9.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 54.340000000000003 112.491 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.903 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -153.06 147.52 25.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 72.140000000000001 110.955 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.528 ' CE ' HG23 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -127.03 123.22 36.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 63.130000000000003 110.856 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.896 HG21 HG11 ' G' ' 36' ' ' VAL . 6.7 t -117.9 111.66 35.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 74.519999999999996 111.091 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.4 -58.94 4.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.788 -0.72 . . . . 72.219999999999999 112.486 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.7 157.23 45.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 70.430000000000007 112.523 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.825 ' C ' HG21 ' C' ' 39' ' ' VAL . 8.5 p -158.09 144.99 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.383 . . . . 70.25 111.138 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.531 ' N ' HG21 ' C' ' 39' ' ' VAL . 13.2 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 73.140000000000001 111.113 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.853 0.359 . . . . 75.299999999999997 110.837 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 2' ' ' ALA . . . . . 0.427 ' HB3' ' HA ' ' B' ' 2' ' ' ALA . . . -114.64 72.32 0.78 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 64.549999999999997 111.129 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 3' ' ' GLU . . . . . 0.401 ' HG2' ' HA3' ' I' ' 29' ' ' GLY . 1.7 mp0 -50.31 -30.66 12.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 61.439999999999998 110.871 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 4' ' ' PHE . . . . . 0.606 ' CE2' ' HB2' ' H' ' 30' ' ' ALA . 0.2 OUTLIER -158.42 112.21 2.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 73.239999999999995 110.837 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.93 106.98 8.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 65.310000000000002 110.882 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -109.11 122.97 48.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 63.119999999999997 110.872 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -128.71 100.13 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 74.299999999999997 110.9 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 16.4 t -147.41 175.62 10.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 60.399999999999999 110.836 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.52 -12.07 31.67 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.764 -0.731 . . . . 73.349999999999994 112.524 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.58 111.4 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 74.420000000000002 110.937 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -105.47 123.81 48.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 65.310000000000002 110.867 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 t -133.19 113.91 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 73.340000000000003 111.108 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 58.6 m170 -120.85 118.03 28.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 71.209999999999994 110.872 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 6.4 m80 -124.27 134.04 53.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 62.140000000000001 110.852 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -130.21 132.97 46.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 73.129999999999995 110.906 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.659 ' O ' HD22 ' C' ' 17' ' ' LEU . 5.6 tttp -121.57 125.16 46.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 74.329999999999998 110.945 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.659 HD22 ' O ' ' C' ' 16' ' ' LYS . 4.6 mm? -130.51 100.47 5.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 65.200000000000003 110.885 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.773 HG12 ' HB2' ' C' ' 21' ' ' ALA . 1.4 t -113.8 119.76 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.219999999999999 111.088 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.449 ' HE1' HD12 ' C' ' 17' ' ' LEU . 1.4 m-85 -109.97 137.17 48.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 72.030000000000001 110.904 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.593 ' HE1' HG22 ' C' ' 31' ' ' ILE . 25.2 m-85 63.16 29.96 16.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 65.129999999999995 110.887 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.773 ' HB2' HG12 ' C' ' 18' ' ' VAL . . . -88.94 135.27 33.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 75.200000000000003 111.057 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 58.54 77.04 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 73.439999999999998 110.895 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.468 ' CG1' HG23 ' D' ' 24' ' ' VAL . 11.8 p -144.93 143.18 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 45.229999999999997 111.141 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.9 -45.59 94.85 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.737 . . . . 63.039999999999999 112.509 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.96 150.21 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.907 0.384 . . . . 63.43 110.826 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.43 99.94 9.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 71.430000000000007 110.885 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.4 152.25 37.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 65.239999999999995 110.889 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.45 -125.68 23.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 53.210000000000001 112.494 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.713 ' O ' HD12 ' B' ' 31' ' ' ILE . . . -103.41 113.12 26.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.694 0.283 . . . . 72.450000000000003 111.114 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.901 HG23 HD13 ' B' ' 31' ' ' ILE . 0.1 OUTLIER -132.3 123.32 50.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 71.129999999999995 111.155 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 mt -129.09 119.67 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 75.530000000000001 111.115 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.9 -59.55 8.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 75.329999999999998 112.518 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.918 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -152.61 146.17 24.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.821 0.343 . . . . 62.43 110.876 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.731 ' CE ' HG23 ' C' ' 39' ' ' VAL . 0.0 OUTLIER -127.74 122.36 32.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 52.109999999999999 110.924 179.836 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.928 HG11 HG21 ' H' ' 36' ' ' VAL . 5.7 t -118.93 110.43 29.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 72.150000000000006 111.14 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.84 -58.26 3.88 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 70.430000000000007 112.509 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.24 158.61 46.07 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.742 . . . . 45.329999999999998 112.535 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.825 HG21 ' C ' ' B' ' 39' ' ' VAL . 7.7 p -163.36 149.33 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 65.230000000000004 111.097 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.613 ' N ' HG21 ' D' ' 39' ' ' VAL . 9.7 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 63.119999999999997 111.113 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.848 0.356 . . . . 75.200000000000003 110.904 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.48 72.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 52.43 111.061 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 3' ' ' GLU . . . . . 0.407 ' HG2' ' HA3' ' J' ' 29' ' ' GLY . 1.7 mp0 -51.02 -30.12 14.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 73.409999999999997 110.915 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 4' ' ' PHE . . . . . 0.591 ' CE2' ' HB2' ' I' ' 30' ' ' ALA . 0.2 OUTLIER -158.9 112.28 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 75.299999999999997 110.866 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.48 107.37 9.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 64.25 110.914 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 23.2 t-80 -109.21 121.29 44.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 72.549999999999997 110.882 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -127.92 100.25 5.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 74.409999999999997 110.892 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 15.9 t -147.5 175.3 10.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 52.25 110.844 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.09 -11.51 31.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.742 . . . . 60.210000000000001 112.507 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.32 111.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.852 0.358 . . . . 74.519999999999996 110.928 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -105.39 124.69 49.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 74.450000000000003 110.841 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.87 114.12 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 71.340000000000003 111.089 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -121.65 118.0 28.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 75.239999999999995 110.851 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 6.7 m80 -124.84 135.41 52.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 72.510000000000005 110.854 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -130.42 133.04 46.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 55.450000000000003 110.845 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.683 ' O ' HD22 ' D' ' 17' ' ' LEU . 5.4 tttp -120.72 121.71 38.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 75.140000000000001 110.896 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.683 HD22 ' O ' ' D' ' 16' ' ' LYS . 4.5 mm? -131.0 99.81 5.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 72.140000000000001 110.921 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.775 HG12 ' HB2' ' D' ' 21' ' ' ALA . 0.7 OUTLIER -113.67 121.67 66.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.219999999999999 111.147 179.859 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.451 ' N ' ' CD1' ' D' ' 19' ' ' PHE . 1.0 OUTLIER -111.64 137.73 49.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 71.120000000000005 110.87 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.569 ' HE1' HG22 ' D' ' 31' ' ' ILE . 20.3 m-85 61.45 28.52 17.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 71.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 21' ' ' ALA . . . . . 0.775 ' HB2' HG12 ' D' ' 18' ' ' VAL . . . -89.63 136.83 32.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 63.340000000000003 111.076 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 56.56 78.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.430000000000007 110.908 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.47 ' CG1' HG23 ' E' ' 24' ' ' VAL . 11.4 p -145.6 141.74 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 72.540000000000006 111.08 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.09 -44.62 94.63 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 64.019999999999996 112.485 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.6 148.46 0.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.898 0.38 . . . . 52.5 110.858 -179.75 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -104.22 99.43 9.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 60.539999999999999 110.875 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.28 153.12 36.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 72.230000000000004 110.918 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.23 -126.53 22.92 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.67 -0.776 . . . . 42.329999999999998 112.501 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.715 ' O ' HD12 ' C' ' 31' ' ' ILE . . . -103.65 112.83 25.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.765 0.317 . . . . 72.319999999999993 111.135 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.655 HG23 HD13 ' C' ' 31' ' ' ILE . 0.2 OUTLIER -133.97 123.29 44.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 72.420000000000002 111.12 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.442 HD13 ' SD ' ' D' ' 35' ' ' MET . 6.6 mt -128.11 119.77 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 62.210000000000001 111.146 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.0 -61.46 6.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 64.040000000000006 112.483 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.917 HD22 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -151.31 144.22 24.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.778 0.323 . . . . 63.340000000000003 110.948 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.758 ' CE ' HG23 ' D' ' 39' ' ' VAL . 0.0 OUTLIER -128.94 123.37 32.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 75.200000000000003 110.839 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.945 HG11 HG21 ' I' ' 36' ' ' VAL . 6.7 t -121.78 109.14 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 65.319999999999993 111.143 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.9 -59.16 3.49 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 72.329999999999998 112.461 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.55 159.59 48.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 70.530000000000001 112.492 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.788 HG21 ' C ' ' C' ' 39' ' ' VAL . 8.7 p -165.86 153.62 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.37 . . . . 74.420000000000002 111.099 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.567 ' N ' HG21 ' E' ' 39' ' ' VAL . 9.0 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 75.040000000000006 111.167 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.815 0.341 . . . . 74.120000000000005 110.849 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.65 72.35 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 62.420000000000002 111.146 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -51.32 -29.75 16.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 43.420000000000002 110.864 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 4' ' ' PHE . . . . . 0.531 ' CE2' ' HB2' ' J' ' 30' ' ' ALA . 0.3 OUTLIER -158.81 114.34 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 55.049999999999997 110.898 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.17 107.52 9.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 72.400000000000006 110.848 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -109.36 120.54 42.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 72.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -128.44 99.95 5.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 73.310000000000002 110.816 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 16.3 t -148.49 172.71 14.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 73.099999999999994 110.823 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.09 -11.77 35.92 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 75.219999999999999 112.481 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.38 110.43 0.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.87 0.367 . . . . 75.329999999999998 110.931 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -105.24 125.95 51.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 52.130000000000003 110.917 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.33 118.04 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 61.539999999999999 111.08 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -120.39 118.85 31.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 73.540000000000006 110.882 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 6.5 m80 -122.46 135.71 54.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 72.439999999999998 110.868 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -133.69 134.61 43.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 74.310000000000002 110.906 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 16' ' ' LYS . . . . . 0.711 ' O ' HD22 ' E' ' 17' ' ' LEU . 4.7 tttp -122.77 120.5 33.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 70.329999999999998 110.887 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.711 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.3 mm? -133.09 99.88 4.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 61.450000000000003 110.885 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.732 HG12 ' HB2' ' E' ' 21' ' ' ALA . 0.2 OUTLIER -112.96 124.3 69.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 70.209999999999994 111.07 179.847 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.466 ' HE1' HD12 ' E' ' 17' ' ' LEU . 0.8 OUTLIER -114.92 136.5 53.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 63.310000000000002 110.884 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.489 ' HE1' HG22 ' E' ' 31' ' ' ILE . 21.7 m-85 58.88 28.21 17.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 55.329999999999998 110.862 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 21' ' ' ALA . . . . . 0.732 ' HB2' HG12 ' E' ' 18' ' ' VAL . . . -92.17 138.77 31.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 72.5 111.058 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 55.33 78.4 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 62.340000000000003 110.842 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.47 HG23 ' CG1' ' D' ' 24' ' ' VAL . 11.4 p -145.82 139.63 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 73.129999999999995 111.115 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.9 -43.9 92.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.754 . . . . 74.120000000000005 112.505 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 26' ' ' SER . . . . . 0.401 ' H ' HG22 ' E' ' 24' ' ' VAL . 0.6 OUTLIER -179.89 145.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.88 0.371 . . . . 62.409999999999997 110.887 -179.744 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -103.68 99.04 8.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 74.109999999999999 110.872 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 28' ' ' LYS . . . . . 0.465 ' C ' HD11 ' E' ' 31' ' ' ILE . 0.4 OUTLIER -121.44 154.05 37.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 74.5 110.898 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.79 -127.51 22.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.714 -0.755 . . . . 51.299999999999997 112.509 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.596 ' O ' HD12 ' D' ' 31' ' ' ILE . . . -104.0 112.63 25.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.758 0.313 . . . . 60.149999999999999 111.067 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.489 HG22 ' HE1' ' E' ' 20' ' ' PHE . 0.4 OUTLIER -135.32 124.14 40.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 75.439999999999998 111.144 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.474 HD13 ' SD ' ' E' ' 35' ' ' MET . 7.7 mt -126.57 120.02 55.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 72.439999999999998 111.143 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.26 -59.39 8.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 25.239999999999998 112.518 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.842 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -151.67 146.45 25.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.342 . . . . 73.140000000000001 110.901 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.624 ' CE ' HG23 ' E' ' 39' ' ' VAL . 0.2 OUTLIER -137.12 122.7 19.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 70.219999999999999 110.846 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.894 HG11 HG21 ' J' ' 36' ' ' VAL . 16.1 t -125.68 108.27 19.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 73.209999999999994 111.164 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.84 -59.24 3.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 75.340000000000003 112.489 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.71 160.24 46.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 73.099999999999994 112.462 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.72 HG11 ' O ' ' D' ' 39' ' ' VAL . 12.6 p -165.82 151.96 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.342 . . . . 71.519999999999996 111.149 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 75.519999999999996 111.1 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.813 0.339 . . . . 62.210000000000001 110.841 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.64 72.91 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.409999999999997 111.108 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -51.85 -32.3 31.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 74.219999999999999 110.919 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 4' ' ' PHE . . . . . 0.643 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -157.74 114.12 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 74.349999999999994 110.837 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.6 107.52 6.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 74.510000000000005 110.878 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -107.35 123.13 47.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 70.409999999999997 110.872 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -124.63 100.97 6.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 62.420000000000002 110.872 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 16.8 t -150.16 176.33 10.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 74.140000000000001 110.854 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.61 -12.22 27.01 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.754 -0.736 . . . . 73.140000000000001 112.481 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.43 111.8 0.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.88 0.371 . . . . 73.540000000000006 110.89 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -106.07 123.8 48.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.502 . . . . 62.020000000000003 110.902 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -137.89 112.9 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 53.409999999999997 111.117 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 64.9 m170 -121.72 120.36 34.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 73.450000000000003 110.84 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 14' ' ' HIS . . . . . 0.431 ' CD2' ' HB2' ' G' ' 14' ' ' HIS . 6.3 m80 -126.2 129.35 48.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 63.310000000000002 110.861 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -130.59 134.56 47.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 64.400000000000006 110.903 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -124.38 124.97 43.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 71.239999999999995 110.885 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.596 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.3 mm? -119.8 101.61 8.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.433 . . . . 74.420000000000002 110.935 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.54 HG12 ' HB2' ' F' ' 21' ' ' ALA . 2.1 t -112.42 115.49 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 72.549999999999997 111.112 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.534 ' HE1' HD12 ' F' ' 17' ' ' LEU . 5.1 m-85 -103.12 142.13 34.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 73.040000000000006 110.897 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 20' ' ' PHE . . . . . 0.67 ' HE1' HG22 ' F' ' 31' ' ' ILE . 23.9 m-85 63.09 33.73 14.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 74.420000000000002 110.909 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 21' ' ' ALA . . . . . 0.54 ' HB2' HG12 ' F' ' 18' ' ' VAL . . . -89.33 135.11 33.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 73.409999999999997 111.066 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 62.05 76.34 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 61.210000000000001 110.913 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 11.6 p -146.43 144.23 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 72.510000000000005 111.138 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.82 -45.96 95.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 63.240000000000002 112.49 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.17 151.28 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.368 . . . . 70.230000000000004 110.911 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.46 99.2 9.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 42.329999999999998 110.914 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -120.12 151.51 38.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 74.219999999999999 110.863 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.35 -126.77 25.82 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.75 -0.738 . . . . 71.439999999999998 112.542 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.614 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . . . -102.54 114.04 27.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.767 0.318 . . . . 64.439999999999998 111.09 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.925 HD13 HG23 ' G' ' 31' ' ' ILE . 0.1 OUTLIER -132.48 126.36 55.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 41.149999999999999 111.157 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 mt -130.3 119.34 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 71.329999999999998 111.128 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 33' ' ' GLY . . . . . 0.403 ' N ' ' CZ ' ' F' ' 20' ' ' PHE . . . -52.8 -58.33 11.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 61.299999999999997 112.496 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.86 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -155.81 149.22 24.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.841 0.353 . . . . 62.530000000000001 110.902 -179.883 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -125.36 128.16 47.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 73.310000000000002 110.893 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.803 HG11 HG21 ' A' ' 36' ' ' VAL . 15.5 t -117.94 110.36 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 72.519999999999996 111.158 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.67 -55.73 4.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 54.219999999999999 112.542 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.39 157.69 49.83 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.713 -0.756 . . . . 55.549999999999997 112.525 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.807 ' C ' HG21 ' G' ' 39' ' ' VAL . 11.1 p -156.8 141.78 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.35 . . . . 71.230000000000004 111.115 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.425 ' N ' HG21 ' G' ' 39' ' ' VAL . 11.0 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 70.519999999999996 111.074 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.826 0.345 . . . . 74.540000000000006 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' G' G ' 2' ' ' ALA . . . . . 0.417 ' HA ' ' HB3' ' H' ' 2' ' ' ALA . . . -114.33 73.2 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 73.230000000000004 111.133 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -50.64 -30.79 14.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 75.25 110.859 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 4' ' ' PHE . . . . . 0.63 ' CE2' ' HB2' ' B' ' 30' ' ' ALA . 0.2 OUTLIER -157.67 112.7 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 54.340000000000003 110.924 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.92 106.85 7.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 74.209999999999994 110.864 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -107.77 122.95 47.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 70.109999999999999 110.811 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -127.26 99.96 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 73.140000000000001 110.874 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 8' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' H' ' 8' ' ' SER . 16.6 t -147.92 176.08 10.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 74.510000000000005 110.852 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.6 -13.16 28.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 52.329999999999998 112.492 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.9 111.29 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.373 . . . . 74.129999999999995 110.9 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -105.18 124.19 49.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 72.120000000000005 110.89 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -135.28 113.43 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 64.310000000000002 111.118 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -120.24 120.27 35.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 73.109999999999999 110.876 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 14' ' ' HIS . . . . . 0.431 ' HB2' ' CD2' ' F' ' 14' ' ' HIS . 6.6 m80 -123.78 132.88 53.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 74.099999999999994 110.882 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 63.2 mm-40 -129.94 132.82 46.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 60.409999999999997 110.906 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 16' ' ' LYS . . . . . 0.573 ' O ' HD22 ' G' ' 17' ' ' LEU . 5.4 tttp -123.28 126.3 46.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 73.439999999999998 110.937 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.596 HD13 ' HB2' ' F' ' 17' ' ' LEU . 4.5 mm? -127.94 100.55 5.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 70.329999999999998 110.924 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.782 HG12 ' HB2' ' G' ' 21' ' ' ALA . 1.9 t -112.73 118.87 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 74.239999999999995 111.102 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.477 ' HE1' HD12 ' G' ' 17' ' ' LEU . 2.1 m-85 -108.73 137.82 46.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 74.329999999999998 110.935 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 0.631 ' HE1' HG22 ' G' ' 31' ' ' ILE . 27.5 m-85 64.02 30.87 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 74.409999999999997 110.891 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 21' ' ' ALA . . . . . 0.782 ' HB2' HG12 ' G' ' 18' ' ' VAL . . . -88.81 134.34 33.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 62.310000000000002 111.103 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.75 76.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 62.310000000000002 110.884 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 11.3 p -146.08 143.44 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 73.439999999999998 111.131 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.9 -45.12 96.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.744 . . . . 44.549999999999997 112.473 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.21 151.38 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.913 0.387 . . . . 50.240000000000002 110.851 -179.699 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.97 99.76 9.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 73.129999999999995 110.869 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -119.84 152.42 37.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 73.549999999999997 110.914 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.43 -125.87 24.29 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.783 -0.723 . . . . 42.409999999999997 112.445 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.677 ' O ' HD12 ' F' ' 31' ' ' ILE . . . -103.11 113.19 26.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.779 0.323 . . . . 61.549999999999997 111.123 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.925 HG23 HD13 ' F' ' 31' ' ' ILE . 0.1 OUTLIER -131.88 123.47 51.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 72.109999999999999 111.137 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 mt -129.46 119.42 48.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 72.099999999999994 111.1 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.82 -60.31 7.63 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 45.329999999999998 112.485 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.893 HD22 ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -152.22 147.93 26.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.76 0.314 . . . . 73.340000000000003 110.955 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.566 ' CE ' HG23 ' G' ' 39' ' ' VAL . 0.0 OUTLIER -126.95 122.2 33.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 74.209999999999994 110.886 179.849 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.896 HG11 HG21 ' B' ' 36' ' ' VAL . 14.0 t -117.94 111.68 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 70.510000000000005 111.107 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.1 -57.1 4.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 75.540000000000006 112.487 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.52 154.59 38.48 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 72.450000000000003 112.442 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.834 ' C ' HG21 ' H' ' 39' ' ' VAL . 9.2 p -157.81 144.39 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 75.040000000000006 111.083 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.558 ' N ' HG21 ' H' ' 39' ' ' VAL . 8.9 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 72.019999999999996 111.13 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.832 0.349 . . . . 72.439999999999998 110.878 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' H' H ' 2' ' ' ALA . . . . . 0.417 ' HB3' ' HA ' ' G' ' 2' ' ' ALA . . . -114.44 73.37 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 71.209999999999994 111.071 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -50.27 -31.09 13.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 73.209999999999994 110.905 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 4' ' ' PHE . . . . . 0.616 ' CE2' ' HB2' ' C' ' 30' ' ' ALA . 0.2 OUTLIER -158.0 112.58 2.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 71.239999999999995 110.912 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.52 107.01 8.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 73.230000000000004 110.881 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -108.84 121.78 45.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 72.329999999999998 110.864 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -128.17 99.89 5.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 53.149999999999999 110.901 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 8' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' G' ' 8' ' ' SER . 16.4 t -147.01 175.62 10.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 54.100000000000001 110.883 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.86 -12.66 31.58 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.754 -0.736 . . . . 61.420000000000002 112.484 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.75 111.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 74.299999999999997 110.962 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -105.55 124.0 48.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 51.310000000000002 110.898 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 t -134.49 113.51 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 74.319999999999993 111.134 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 5.6 m-70 -120.51 118.71 30.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 75.239999999999995 110.864 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 6.6 m80 -122.81 135.6 54.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 73.329999999999998 110.897 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -130.82 132.52 45.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 72.109999999999999 110.933 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 16' ' ' LYS . . . . . 0.655 ' O ' HD22 ' H' ' 17' ' ' LEU . 5.6 tttp -121.7 124.18 43.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 63.310000000000002 110.901 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.655 HD22 ' O ' ' H' ' 16' ' ' LYS . 4.6 mm? -130.13 100.41 5.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 72.439999999999998 110.919 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.779 HG12 ' HB2' ' H' ' 21' ' ' ALA . 1.4 t -114.07 119.49 61.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 72.329999999999998 111.073 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.458 ' HE1' HD12 ' H' ' 17' ' ' LEU . 1.4 m-85 -109.37 137.03 47.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 73.319999999999993 110.89 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 20' ' ' PHE . . . . . 0.598 ' HE1' HG22 ' H' ' 31' ' ' ILE . 25.4 m-85 63.22 30.31 15.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 70.310000000000002 110.879 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 21' ' ' ALA . . . . . 0.779 ' HB2' HG12 ' H' ' 18' ' ' VAL . . . -89.06 135.36 33.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 72.25 111.102 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 58.78 77.68 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 55.409999999999997 110.904 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 24' ' ' VAL . . . . . 0.44 ' CG1' HG23 ' I' ' 24' ' ' VAL . 11.6 p -145.81 143.25 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 75.239999999999995 111.107 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.33 -45.48 95.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.749 . . . . 71.129999999999995 112.454 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.45 149.9 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 64.239999999999995 110.864 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.52 99.43 9.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 75.530000000000001 110.958 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -119.53 152.22 37.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 64.329999999999998 110.882 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.15 -126.3 22.82 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.725 -0.75 . . . . 63.509999999999998 112.492 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 30' ' ' ALA . . . . . 0.699 ' O ' HD12 ' G' ' 31' ' ' ILE . . . -103.18 112.97 26.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.741 0.305 . . . . 50.439999999999998 111.098 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.872 HG23 HD13 ' G' ' 31' ' ' ILE . 0.1 OUTLIER -132.22 123.62 50.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 50.509999999999998 111.109 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 mt -129.27 119.43 48.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 70.310000000000002 111.17 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.93 -60.12 7.92 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 73.040000000000006 112.502 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.91 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -152.0 146.06 25.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 75.230000000000004 110.874 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' H' H ' 35' ' ' MET . . . . . 0.709 ' CE ' HG23 ' H' ' 39' ' ' VAL . 0.0 OUTLIER -127.43 122.51 33.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 72.219999999999999 110.845 179.86 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.928 HG21 HG11 ' C' ' 36' ' ' VAL . 12.1 t -119.45 111.12 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 51.229999999999997 111.124 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.48 -58.55 3.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.736 . . . . 65.420000000000002 112.475 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.26 157.86 45.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 73.319999999999993 112.5 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.834 HG21 ' C ' ' G' ' 39' ' ' VAL . 7.7 p -162.38 147.46 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 63.109999999999999 111.066 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' H' H ' 40' ' ' VAL . . . . . 0.633 ' N ' HG21 ' I' ' 39' ' ' VAL . 10.2 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 75.200000000000003 111.128 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.792 0.329 . . . . 73.129999999999995 110.852 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.44 72.71 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 74.150000000000006 111.045 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -51.34 -30.51 18.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 54.399999999999999 110.84 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 4' ' ' PHE . . . . . 0.589 ' CE2' ' HB2' ' D' ' 30' ' ' ALA . 0.2 OUTLIER -158.74 112.8 2.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 74.310000000000002 110.902 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.02 107.56 9.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 72.519999999999996 110.875 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -108.91 120.57 42.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 70.409999999999997 110.84 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -128.31 100.09 5.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 74.329999999999998 110.885 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 16.6 t -147.17 175.14 10.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 71.430000000000007 110.885 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.45 -11.87 32.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 64.340000000000003 112.5 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.55 111.05 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.803 0.335 . . . . 72.230000000000004 110.938 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -104.86 125.24 50.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 74.519999999999996 110.861 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 22.0 t -134.65 114.26 17.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 73.430000000000007 111.105 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -121.47 118.64 29.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 73.510000000000005 110.854 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -123.94 135.71 53.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 71.349999999999994 110.872 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -130.61 132.81 45.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 72.439999999999998 110.972 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 16' ' ' LYS . . . . . 0.696 ' O ' HD22 ' I' ' 17' ' ' LEU . 5.4 tttp -120.86 121.64 38.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 73.549999999999997 110.931 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.696 HD22 ' O ' ' I' ' 16' ' ' LYS . 4.5 mm? -131.27 99.66 4.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.438 . . . . 72.310000000000002 110.893 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' I' I ' 18' ' ' VAL . . . . . 0.765 HG12 ' HB2' ' I' ' 21' ' ' ALA . 0.7 OUTLIER -113.75 122.05 67.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 74.030000000000001 111.133 179.837 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' I' I ' 19' ' ' PHE . . . . . 0.441 ' HE1' HD12 ' I' ' 17' ' ' LEU . 1.0 OUTLIER -111.43 137.81 48.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 74.530000000000001 110.863 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' I' I ' 20' ' ' PHE . . . . . 0.588 ' HE1' HG22 ' I' ' 31' ' ' ILE . 21.0 m-85 61.26 28.64 18.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 64.120000000000005 110.923 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' I' I ' 21' ' ' ALA . . . . . 0.765 ' HB2' HG12 ' I' ' 18' ' ' VAL . . . -89.5 136.54 32.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 61.240000000000002 111.134 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 57.14 77.88 0.25 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 75.409999999999997 110.887 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.461 ' CG1' HG23 ' J' ' 24' ' ' VAL . 11.2 p -145.48 142.2 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 62.140000000000001 111.09 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.85 -44.62 95.87 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.752 -0.737 . . . . 72.349999999999994 112.481 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.42 148.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.38 . . . . 75.219999999999999 110.859 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -104.35 99.21 8.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 72.409999999999997 110.94 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -120.43 152.28 38.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 73.030000000000001 110.909 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 29' ' ' GLY . . . . . 0.401 ' HA3' ' HG2' ' C' ' 3' ' ' GLU . . . 69.45 -126.55 19.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 75.319999999999993 112.508 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.718 ' O ' HD12 ' H' ' 31' ' ' ILE . . . -103.61 112.72 25.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.778 0.323 . . . . 65.200000000000003 111.107 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.666 HG23 HD13 ' H' ' 31' ' ' ILE . 0.2 OUTLIER -134.51 124.11 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 73.209999999999994 111.125 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' I' I ' 32' ' ' ILE . . . . . 0.425 HD13 ' SD ' ' I' ' 35' ' ' MET . 6.8 mt -128.86 120.27 51.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 70.310000000000002 111.13 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.3 -61.92 5.86 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 63.5 112.449 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.927 HD22 ' O ' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -150.92 144.15 24.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.803 0.335 . . . . 72.420000000000002 110.922 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' I' I ' 35' ' ' MET . . . . . 0.758 ' CE ' HG23 ' I' ' 39' ' ' VAL . 0.0 OUTLIER -128.35 123.38 33.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 72.129999999999995 110.869 179.829 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.945 HG21 HG11 ' D' ' 36' ' ' VAL . 11.9 t -122.7 109.73 24.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 72.230000000000004 111.118 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.44 -59.34 3.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 71.010000000000005 112.462 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.44 159.68 46.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 45.310000000000002 112.46 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 0.785 HG21 ' C ' ' H' ' 39' ' ' VAL . 8.1 p -165.56 153.17 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 71.040000000000006 111.156 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' I' I ' 40' ' ' VAL . . . . . 0.573 ' N ' HG21 ' J' ' 39' ' ' VAL . 9.0 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 73.450000000000003 111.171 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.843 0.354 . . . . 70.219999999999999 110.858 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.46 73.57 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 61.149999999999999 111.136 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -50.84 -30.74 15.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 65.519999999999996 110.879 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' J' J ' 4' ' ' PHE . . . . . 0.552 ' CE2' ' HB2' ' E' ' 30' ' ' ALA . 0.2 OUTLIER -159.15 114.67 2.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 72.510000000000005 110.915 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.45 107.8 9.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 71.439999999999998 110.88 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -108.9 119.72 40.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 75.450000000000003 110.859 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -128.72 100.03 5.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 71.450000000000003 110.87 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 16.4 t -148.23 172.2 14.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 70.129999999999995 110.861 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.44 -11.65 37.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 71.340000000000003 112.487 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.47 109.68 0.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.36 . . . . 65.209999999999994 110.917 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -104.65 124.91 50.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 73.099999999999994 110.876 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 22.0 t -133.07 116.54 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 71.299999999999997 111.115 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -120.32 118.59 30.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 71.230000000000004 110.869 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 6.3 m80 -122.19 136.11 54.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 75.340000000000003 110.838 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -132.35 135.34 46.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 65.109999999999999 110.9 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' J' J ' 16' ' ' LYS . . . . . 0.726 ' O ' HD22 ' J' ' 17' ' ' LEU . 4.5 tttp -122.56 120.14 32.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 61.130000000000003 110.941 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.726 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.3 mm? -133.13 99.74 4.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 73.120000000000005 110.908 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.717 HG12 ' HB2' ' J' ' 21' ' ' ALA . 0.2 OUTLIER -113.14 124.24 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 54.009999999999998 111.123 179.835 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' J' ' 19' ' ' PHE . 0.8 OUTLIER -114.34 136.43 52.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 65.0 110.863 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' J' J ' 20' ' ' PHE . . . . . 0.478 ' HE1' HG22 ' J' ' 31' ' ' ILE . 22.0 m-85 59.03 28.31 17.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 71.109999999999999 110.901 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' J' J ' 21' ' ' ALA . . . . . 0.717 ' HB2' HG12 ' J' ' 18' ' ' VAL . . . -91.56 139.05 31.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 71.439999999999998 111.099 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 54.82 78.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 52.030000000000001 110.842 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.461 HG23 ' CG1' ' I' ' 24' ' ' VAL . 11.2 p -145.63 139.82 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 75.219999999999999 111.069 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.32 -44.3 93.48 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.719 -0.753 . . . . 63.439999999999998 112.488 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.79 145.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.371 . . . . 73.140000000000001 110.845 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 1.5 m120 -103.33 98.77 8.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 75.219999999999999 110.889 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' J' J ' 28' ' ' LYS . . . . . 0.484 ' C ' HD11 ' J' ' 31' ' ' ILE . 1.1 tptp -121.34 153.08 38.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 73.319999999999993 110.907 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' J' J ' 29' ' ' GLY . . . . . 0.407 ' HA3' ' HG2' ' D' ' 3' ' ' GLU . . . 70.07 -127.57 18.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.76 -0.733 . . . . 71.150000000000006 112.514 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 0.601 ' O ' HD12 ' I' ' 31' ' ' ILE . . . -104.04 112.52 25.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.319 . . . . 51.200000000000003 111.069 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.484 HD11 ' C ' ' J' ' 28' ' ' LYS . 0.5 OUTLIER -135.82 125.45 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 75.420000000000002 111.084 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' J' J ' 32' ' ' ILE . . . . . 0.466 HD13 ' SD ' ' J' ' 35' ' ' MET . 7.9 mt -127.32 120.29 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 52.0 111.149 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.58 -60.04 8.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.751 . . . . 63.200000000000003 112.514 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.857 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -150.88 146.36 26.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.806 0.336 . . . . 74.129999999999995 110.924 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' J' J ' 35' ' ' MET . . . . . 0.653 ' CE ' HG23 ' J' ' 39' ' ' VAL . 0.2 OUTLIER -136.74 122.79 20.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.140000000000001 110.892 179.802 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.894 HG21 HG11 ' E' ' 36' ' ' VAL . 18.8 t -126.69 108.65 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 71.409999999999997 111.145 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.79 -58.9 3.46 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 62.210000000000001 112.452 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.64 160.67 45.55 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 71.450000000000003 112.496 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.724 HG11 ' O ' ' I' ' 39' ' ' VAL . 11.2 p -166.71 153.36 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.873 0.368 . . . . 60.109999999999999 111.132 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 75.030000000000001 111.144 179.916 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.825 0.345 . . . . 64.150000000000006 110.891 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.18 89.38 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 62.119999999999997 111.101 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.55 -38.47 84.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 74.299999999999997 110.904 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.631 ' CE1' ' HB2' ' F' ' 30' ' ' ALA . 7.9 m-85 -142.17 112.37 7.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 71.430000000000007 110.904 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -135.73 107.63 7.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 72.129999999999995 110.867 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -107.39 119.71 40.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 73.549999999999997 110.866 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -116.46 100.96 8.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 71.310000000000002 110.885 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.8 m -154.07 177.34 11.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.409999999999997 110.836 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.96 -32.9 5.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 52.210000000000001 112.531 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -144.43 128.73 17.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 73.299999999999997 110.941 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -111.8 117.76 33.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 73.319999999999993 110.87 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.2 t -131.91 113.8 23.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 72.299999999999997 111.117 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -115.13 113.31 23.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 70.340000000000003 110.876 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -124.71 121.4 34.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 75.040000000000006 110.892 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' GLN . . . . . 0.699 ' OE1' HG23 ' F' ' 39' ' ' VAL . 0.0 OUTLIER -117.11 132.94 56.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 73.019999999999996 110.9 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' C ' HD22 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -132.11 116.12 16.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 75.219999999999999 110.91 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.636 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.4 mm? -123.05 109.02 13.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 73.420000000000002 110.907 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . 0.517 ' CG1' ' HB2' ' A' ' 21' ' ' ALA . 87.9 t -108.61 112.66 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 45.329999999999998 111.108 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.594 ' CE1' HD12 ' A' ' 17' ' ' LEU . 9.2 m-85 -111.0 106.44 15.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 72.409999999999997 110.9 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.412 ' CD1' ' HA2' ' A' ' 33' ' ' GLY . 8.7 m-85 62.01 80.26 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 74.409999999999997 110.9 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ALA . . . . . 0.517 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . . . -112.43 135.36 53.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 71.209999999999994 111.138 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 54.62 73.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 75.439999999999998 110.866 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.55 HG13 HG23 ' B' ' 24' ' ' VAL . 4.1 p -112.26 144.41 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 74.540000000000006 111.146 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.67 -49.06 45.89 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.704 -0.76 . . . . 53.240000000000002 112.468 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -160.98 133.07 5.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.373 . . . . 74.209999999999994 110.83 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -102.82 101.51 11.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 71.510000000000005 110.877 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -113.91 166.7 11.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 55.130000000000003 110.932 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.11 -130.62 47.52 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.695 -0.764 . . . . 53.240000000000002 112.504 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.67 ' HB2' ' CE1' ' F' ' 4' ' ' PHE . . . -109.91 111.66 23.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.342 . . . . 74.129999999999995 111.09 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.75 HG13 HG22 ' B' ' 31' ' ' ILE . 0.0 OUTLIER -122.29 115.18 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 71.150000000000006 111.146 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -130.99 122.61 52.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 75.140000000000001 111.118 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLY . . . . . 0.412 ' HA2' ' CD1' ' A' ' 20' ' ' PHE . . . -52.41 -49.99 49.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 53.340000000000003 112.514 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.816 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -165.42 148.86 8.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 75.140000000000001 110.913 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 35' ' ' MET . . . . . 0.423 ' HG3' ' HB3' ' B' ' 35' ' ' MET . 3.8 ttp -132.2 123.85 27.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.239999999999995 110.903 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.796 HG21 HG11 ' F' ' 36' ' ' VAL . 91.3 t -143.71 110.93 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 61.119999999999997 111.13 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.54 -10.94 67.6 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 32.240000000000002 112.47 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.59 159.94 13.48 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 73.349999999999994 112.434 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.692 HG23 ' OE1' ' F' ' 15' ' ' GLN . 92.2 t -131.81 142.45 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.859 0.362 . . . . 72.549999999999997 111.102 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.447 ' C ' HG22 ' B' ' 40' ' ' VAL . 23.2 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 74.109999999999999 111.123 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.857 0.361 . . . . 72.420000000000002 110.883 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.63 89.37 2.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 75.400000000000006 111.089 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.15 -37.74 81.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 73.010000000000005 110.92 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.595 ' CE1' ' HB2' ' G' ' 30' ' ' ALA . 9.7 m-85 -143.35 111.11 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 74.349999999999994 110.831 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -131.57 107.7 9.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 73.099999999999994 110.873 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -110.6 118.35 35.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 71.329999999999998 110.85 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -115.65 101.33 8.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 73.109999999999999 110.9 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' C' ' 8' ' ' SER . 25.4 m -152.26 176.82 11.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 72.420000000000002 110.858 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.49 -32.91 5.83 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.791 -0.719 . . . . 75.129999999999995 112.49 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -144.56 128.14 17.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.815 0.34 . . . . 71.450000000000003 110.922 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -109.05 117.45 34.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 62.409999999999997 110.918 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.4 t -128.91 113.78 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 52.43 111.1 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -116.72 113.07 22.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 63.009999999999998 110.851 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -123.83 123.48 40.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 74.329999999999998 110.847 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 15' ' ' GLN . . . . . 0.455 ' HG3' HG21 ' H' ' 39' ' ' VAL . 0.0 OUTLIER -117.57 132.55 56.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 73.349999999999994 110.907 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 16' ' ' LYS . . . . . 0.438 ' C ' HD22 ' B' ' 17' ' ' LEU . 1.0 OUTLIER -127.94 116.32 19.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 74.019999999999996 110.886 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.731 ' HB2' HD13 ' C' ' 17' ' ' LEU . 4.4 mm? -124.32 105.08 9.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 35.420000000000002 110.876 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 18' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' B' ' 21' ' ' ALA . 94.4 t -107.8 112.06 38.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 72.120000000000005 111.11 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.639 ' CE1' HD12 ' B' ' 17' ' ' LEU . 6.7 m-85 -111.3 104.0 12.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 73.420000000000002 110.851 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 61.44 79.89 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 73.549999999999997 110.862 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ALA . . . . . 0.466 ' HB2' ' CG1' ' B' ' 18' ' ' VAL . . . -109.5 133.39 53.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 64.310000000000002 111.104 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 56.35 73.68 0.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 74.040000000000006 110.887 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.597 HG13 HG23 ' C' ' 24' ' ' VAL . 2.8 p -111.42 143.78 20.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 71.450000000000003 111.1 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.03 -47.13 39.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 45.219999999999999 112.48 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -160.97 131.74 5.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 74.420000000000002 110.877 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 27' ' ' ASN . . . . . 0.56 HD22 HG21 ' B' ' 31' ' ' ILE . 20.3 m120 -102.22 100.38 10.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 65.299999999999997 110.91 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -114.1 169.53 8.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 70.200000000000003 110.867 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.87 -129.05 38.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 74.450000000000003 112.479 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.613 ' HB2' ' CE1' ' G' ' 4' ' ' PHE . . . -109.16 112.29 24.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.766 0.317 . . . . 63.219999999999999 111.097 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.859 HG13 HG22 ' C' ' 31' ' ' ILE . 0.0 OUTLIER -118.76 113.83 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 64.129999999999995 111.134 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -130.63 122.07 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 64.319999999999993 111.108 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.98 -46.38 93.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 60.240000000000002 112.507 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.89 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -163.98 147.36 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 64.109999999999999 110.874 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.423 ' HB3' ' HG3' ' A' ' 35' ' ' MET . 3.6 ttp -132.75 123.08 25.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 73.340000000000003 110.868 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.761 HG21 HG11 ' G' ' 36' ' ' VAL . 89.8 t -147.74 110.44 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 74.439999999999998 111.138 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.05 -8.78 71.97 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.764 -0.731 . . . . 61.509999999999998 112.487 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.12 158.35 14.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 75.230000000000004 112.479 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.59 ' O ' HG13 ' C' ' 39' ' ' VAL . 78.0 t -133.87 139.09 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.368 . . . . 64.310000000000002 111.139 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.457 ' C ' HG22 ' C' ' 40' ' ' VAL . 22.8 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 74.439999999999998 111.084 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.802 0.334 . . . . 72.230000000000004 110.869 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.74 89.06 2.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 73.120000000000005 111.139 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.8 -38.03 80.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 75.209999999999994 110.843 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 4' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' H' ' 30' ' ' ALA . 11.4 m-85 -143.3 110.55 5.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 71.25 110.889 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -128.21 107.74 10.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 70.239999999999995 110.929 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -112.21 117.45 32.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 64.209999999999994 110.888 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -115.07 101.75 9.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 70.209999999999994 110.856 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 8' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' B' ' 8' ' ' SER . 24.2 m -153.15 176.04 12.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 71.219999999999999 110.894 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.19 -32.41 5.83 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 31.420000000000002 112.478 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -144.91 127.77 16.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.894 0.378 . . . . 74.530000000000001 110.921 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -107.12 118.23 36.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.09 -0.505 . . . . 74.420000000000002 110.884 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 43.0 t -127.5 113.35 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 73.109999999999999 111.099 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -117.67 113.26 21.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 75.349999999999994 110.875 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -124.75 123.73 40.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 71.420000000000002 110.888 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 15' ' ' GLN . . . . . 0.496 ' OE1' HG23 ' H' ' 39' ' ' VAL . 0.0 OUTLIER -118.95 131.89 56.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 74.340000000000003 110.952 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.489 ' C ' HD22 ' C' ' 17' ' ' LEU . 1.0 OUTLIER -124.67 116.44 22.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 73.340000000000003 110.883 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.731 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.5 mm? -125.32 103.14 7.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.284 -0.416 . . . . 74.129999999999995 110.935 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 18' ' ' VAL . . . . . 0.45 ' CG1' ' HB2' ' C' ' 21' ' ' ALA . 97.4 t -107.47 112.37 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 55.509999999999998 111.16 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.555 ' CE1' HD12 ' C' ' 17' ' ' LEU . 5.3 m-30 -108.78 101.12 10.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 73.109999999999999 110.909 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.407 ' CD1' ' HA2' ' C' ' 33' ' ' GLY . 9.4 m-85 60.01 82.69 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 63.229999999999997 110.892 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 21' ' ' ALA . . . . . 0.45 ' HB2' ' CG1' ' C' ' 18' ' ' VAL . . . -110.19 133.81 52.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 73.120000000000005 111.119 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 56.88 74.02 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 75.239999999999995 110.9 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.597 HG23 HG13 ' B' ' 24' ' ' VAL . 3.0 p -111.34 144.12 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 75.120000000000005 111.14 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.3 -46.62 40.85 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.747 . . . . 64.349999999999994 112.462 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -160.89 131.36 5.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.912 0.387 . . . . 75.010000000000005 110.878 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.599 HD22 HG21 ' C' ' 31' ' ' ILE . 18.9 m120 -102.25 100.12 10.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 75.409999999999997 110.906 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -114.75 170.2 8.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 73.019999999999996 110.925 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.09 -129.35 39.36 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.702 -0.761 . . . . 74.400000000000006 112.53 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.614 ' HB2' ' CE1' ' H' ' 4' ' ' PHE . . . -107.4 111.9 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 71.239999999999995 111.072 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.88 HG13 HG22 ' D' ' 31' ' ' ILE . 0.0 OUTLIER -116.67 111.49 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 73.340000000000003 111.119 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -128.87 122.01 55.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 62.329999999999998 111.139 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 33' ' ' GLY . . . . . 0.407 ' HA2' ' CD1' ' C' ' 20' ' ' PHE . . . -61.54 -46.7 93.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 73.120000000000005 112.456 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.924 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -161.46 146.11 13.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.833 0.349 . . . . 72.329999999999998 110.92 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 4.0 ttp -131.66 122.0 25.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 73.409999999999997 110.838 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.645 HG13 ' O ' ' B' ' 36' ' ' VAL . 84.8 t -150.17 109.88 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 54.130000000000003 111.149 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.17 -8.12 72.23 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.703 -0.76 . . . . 65.140000000000001 112.477 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.49 156.67 15.44 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 63.310000000000002 112.491 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.602 ' O ' HG13 ' D' ' 39' ' ' VAL . 78.9 t -134.17 138.29 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.359 . . . . 74.319999999999993 111.116 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.457 HG22 ' C ' ' B' ' 40' ' ' VAL . 24.1 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 64.439999999999998 111.15 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.852 0.358 . . . . 65.150000000000006 110.862 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.12 89.14 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 54.119999999999997 111.13 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.91 -38.61 82.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 74.299999999999997 110.909 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 4' ' ' PHE . . . . . 0.604 ' CZ ' ' HB2' ' I' ' 30' ' ' ALA . 11.5 m-85 -143.31 110.74 5.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 71.400000000000006 110.908 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -125.96 108.41 11.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 63.130000000000003 110.851 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -114.21 116.85 29.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 72.230000000000004 110.889 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -114.14 102.32 10.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 63.119999999999997 110.847 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 8' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' C' ' 8' ' ' SER . 25.8 m -155.02 175.07 14.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.099999999999994 110.87 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.86 -31.71 5.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 60.43 112.467 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -145.23 128.6 16.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.896 0.379 . . . . 74.310000000000002 110.936 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -106.52 119.77 40.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.499 . . . . 73.230000000000004 110.86 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 43.3 t -126.86 112.62 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 72.109999999999999 111.133 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -117.96 113.41 21.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 70.340000000000003 110.838 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -123.97 123.09 39.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 72.310000000000002 110.882 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 15' ' ' GLN . . . . . 0.493 ' OE1' HG23 ' I' ' 39' ' ' VAL . 0.0 OUTLIER -118.7 132.19 56.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 72.349999999999994 110.946 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.57 ' O ' HD22 ' D' ' 17' ' ' LEU . 0.9 OUTLIER -123.81 117.07 24.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 42.130000000000003 110.903 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.721 HD13 ' HB2' ' C' ' 17' ' ' LEU . 4.5 mm? -128.85 101.31 6.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 75.109999999999999 110.922 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 18' ' ' VAL . . . . . 0.49 ' CG1' ' HB2' ' D' ' 21' ' ' ALA . 89.2 t -105.92 113.99 44.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 75.129999999999995 111.109 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.518 ' HE1' HD12 ' D' ' 17' ' ' LEU . 4.7 m-30 -107.54 99.44 8.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 75.510000000000005 110.887 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.406 ' CD1' ' HA2' ' D' ' 33' ' ' GLY . 7.9 m-85 59.81 83.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 71.25 110.918 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 21' ' ' ALA . . . . . 0.49 ' HB2' ' CG1' ' D' ' 18' ' ' VAL . . . -110.64 134.59 52.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 73.109999999999999 111.118 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 56.9 74.19 0.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 74.120000000000005 110.911 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.538 HG23 HG13 ' C' ' 24' ' ' VAL . 2.8 p -112.28 143.51 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 74.019999999999996 111.103 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.9 -46.15 38.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.805 -0.712 . . . . 71.25 112.454 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -160.6 131.82 5.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.861 0.362 . . . . 74.230000000000004 110.854 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 27' ' ' ASN . . . . . 0.642 HD22 HG21 ' D' ' 31' ' ' ILE . 19.0 m120 -102.5 99.61 9.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 71.140000000000001 110.86 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -114.7 170.96 7.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 74.319999999999993 110.884 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.86 -129.13 38.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.775 -0.726 . . . . 64.200000000000003 112.465 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.628 ' HB2' ' CE1' ' I' ' 4' ' ' PHE . . . -106.73 111.87 24.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.714 0.292 . . . . 70.120000000000005 111.109 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.88 HG22 HG13 ' C' ' 31' ' ' ILE . 0.0 OUTLIER -114.65 110.44 32.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 72.299999999999997 111.138 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -127.92 121.18 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 74.439999999999998 111.095 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 33' ' ' GLY . . . . . 0.406 ' HA2' ' CD1' ' D' ' 20' ' ' PHE . . . -63.0 -45.79 94.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 54.539999999999999 112.47 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.926 HD22 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -160.49 145.44 14.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.766 0.317 . . . . 74.519999999999996 110.932 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 4.9 ttp -132.11 120.94 22.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 63.409999999999997 110.898 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.637 HG13 ' O ' ' C' ' 36' ' ' VAL . 92.8 t -150.98 109.15 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 65.230000000000004 111.133 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.92 -6.97 72.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 70.049999999999997 112.51 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.79 155.29 16.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.702 -0.761 . . . . 45.340000000000003 112.511 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.602 HG13 ' O ' ' C' ' 39' ' ' VAL . 77.1 t -135.31 138.03 49.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.904 0.383 . . . . 72.329999999999998 111.103 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 71.010000000000005 111.122 179.897 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.86 0.362 . . . . 72.319999999999993 110.847 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.28 88.76 2.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 55.310000000000002 111.119 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 3' ' ' GLU . . . . . 0.409 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . 1.7 mp0 -60.41 -35.71 76.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 63.5 110.868 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 4' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' J' ' 30' ' ' ALA . 13.6 m-85 -144.75 112.74 6.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 73.209999999999994 110.852 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -126.28 105.35 8.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 73.129999999999995 110.895 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -114.86 115.29 26.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 75.140000000000001 110.838 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -111.37 100.89 9.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 71.439999999999998 110.915 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 25.7 m -154.9 170.72 21.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 53.119999999999997 110.833 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.5 -29.99 7.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 75.109999999999999 112.437 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -146.66 128.72 15.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.362 . . . . 71.150000000000006 110.924 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -106.8 119.99 40.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 72.120000000000005 110.893 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 43.5 t -124.71 113.61 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 63.340000000000003 111.097 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -118.61 112.67 20.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 64.5 110.887 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -123.01 124.39 43.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 75.430000000000007 110.875 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 15' ' ' GLN . . . . . 0.585 ' OE1' HG23 ' J' ' 39' ' ' VAL . 0.0 OUTLIER -120.6 134.43 55.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 72.420000000000002 110.95 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' E' E ' 16' ' ' LYS . . . . . 0.564 ' O ' HD22 ' E' ' 17' ' ' LEU . 0.8 OUTLIER -123.44 116.14 22.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 72.030000000000001 110.91 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.629 HD13 ' HB2' ' D' ' 17' ' ' LEU . 4.3 mm? -129.27 103.76 7.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 75.030000000000001 110.946 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 18' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' E' ' 21' ' ' ALA . 92.3 t -105.92 115.06 46.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 61.119999999999997 111.096 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.582 ' HE1' HD12 ' E' ' 17' ' ' LEU . 4.8 m-30 -107.79 96.11 6.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 74.209999999999994 110.849 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.404 ' CD1' ' HA2' ' E' ' 33' ' ' GLY . 7.1 m-85 60.39 82.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 63.409999999999997 110.882 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 21' ' ' ALA . . . . . 0.481 ' HB2' ' CG1' ' E' ' 18' ' ' VAL . . . -107.79 134.77 50.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 24.539999999999999 111.132 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 54.73 74.69 0.34 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 74.319999999999993 110.897 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.604 HG11 HD22 ' E' ' 27' ' ' ASN . 3.3 p -110.32 142.97 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 63.520000000000003 111.099 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.94 -45.28 27.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 71.040000000000006 112.501 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.2 m -161.03 132.37 5.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.905 0.384 . . . . 73.129999999999995 110.808 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 27' ' ' ASN . . . . . 0.604 HD22 HG11 ' E' ' 24' ' ' VAL . 75.3 m-20 -101.72 99.29 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 64.219999999999999 110.919 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -114.85 170.21 8.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 73.230000000000004 110.927 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.91 -130.82 40.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.764 -0.731 . . . . 71.329999999999998 112.458 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.601 ' HB2' ' CZ ' ' J' ' 4' ' ' PHE . . . -104.12 113.49 27.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.739 0.304 . . . . 75.299999999999997 111.053 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.749 HG22 HG13 ' D' ' 31' ' ' ILE . 0.0 OUTLIER -111.58 111.99 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 63.340000000000003 111.116 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -130.04 113.69 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 74.549999999999997 111.112 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 33' ' ' GLY . . . . . 0.404 ' HA2' ' CD1' ' E' ' 20' ' ' PHE . . . -61.04 -40.23 98.22 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.74 -0.743 . . . . 55.530000000000001 112.509 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.841 HD22 ' O ' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -163.01 145.44 10.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.796 0.331 . . . . 64.140000000000001 110.923 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.8 ttp -134.51 120.88 20.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 73.019999999999996 110.906 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.618 HG13 ' O ' ' D' ' 36' ' ' VAL . 96.6 t -151.46 108.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 62.530000000000001 111.12 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.76 -4.01 66.99 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 50.299999999999997 112.466 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.26 155.16 16.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 75.049999999999997 112.528 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.618 HG23 ' OE1' ' J' ' 15' ' ' GLN . 69.7 t -135.42 139.41 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 64.209999999999994 111.117 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 50.310000000000002 111.123 179.919 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 . . . . . 0 CA--C 1.526 0.051 0 CA-C-O 120.857 0.361 . . . . 75.129999999999995 110.837 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.33 88.46 2.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 74.219999999999999 111.119 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.21 -39.09 85.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 51.210000000000001 110.844 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 4' ' ' PHE . . . . . 0.67 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 4.9 m-85 -142.9 112.89 7.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 74.030000000000001 110.844 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -135.52 108.29 7.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 71.349999999999994 110.867 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -108.32 118.45 36.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 54.310000000000002 110.869 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -115.17 101.41 8.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 75.519999999999996 110.857 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 27.9 m -154.02 176.81 11.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 72.019999999999996 110.833 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.89 -32.84 6.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.703 -0.761 . . . . 73.099999999999994 112.477 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -144.69 129.03 17.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 72.299999999999997 110.957 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -111.19 117.85 34.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 74.120000000000005 110.896 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -131.55 114.02 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 72.140000000000001 111.166 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -114.9 113.48 24.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 74.340000000000003 110.855 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -125.39 120.59 31.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 64.310000000000002 110.826 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 15' ' ' GLN . . . . . 0.692 ' OE1' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -117.25 132.66 56.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 75.239999999999995 110.871 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' F' F ' 16' ' ' LYS . . . . . 0.418 ' C ' HD22 ' F' ' 17' ' ' LEU . 0.9 OUTLIER -132.54 115.82 15.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 74.230000000000004 110.885 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.661 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.3 mm? -123.2 109.1 13.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 61.039999999999999 110.925 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 18' ' ' VAL . . . . . 0.524 ' CG1' ' HB2' ' F' ' 21' ' ' ALA . 86.1 t -108.55 112.99 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 64.239999999999995 111.092 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.526 ' CE1' HD12 ' F' ' 17' ' ' LEU . 9.4 m-85 -111.02 106.43 15.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 75.319999999999993 110.865 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 20' ' ' PHE . . . . . 0.408 ' CD1' ' HA2' ' F' ' 33' ' ' GLY . 8.3 m-85 62.08 80.3 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 74.430000000000007 110.892 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 21' ' ' ALA . . . . . 0.524 ' HB2' ' CG1' ' F' ' 18' ' ' VAL . . . -112.59 135.49 53.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 62.329999999999998 111.053 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 54.84 73.28 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 71.219999999999999 110.841 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.562 HG13 HG23 ' G' ' 24' ' ' VAL . 4.2 p -112.75 144.48 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 72.349999999999994 111.102 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.83 -49.04 44.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 54.340000000000003 112.505 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.0 m -160.92 133.01 5.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.357 . . . . 63.420000000000002 110.905 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -102.9 100.74 10.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 71.219999999999999 110.865 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -114.28 167.7 10.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 73.25 110.864 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.23 -130.69 47.86 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.681 -0.771 . . . . 42.539999999999999 112.539 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.631 ' HB2' ' CE1' ' A' ' 4' ' ' PHE . . . -109.45 111.56 23.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.774 0.321 . . . . 64.200000000000003 111.098 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.801 HG13 HG22 ' G' ' 31' ' ' ILE . 0.0 OUTLIER -123.05 115.15 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 71.450000000000003 111.173 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mt -131.58 121.85 48.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 64.140000000000001 111.127 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 33' ' ' GLY . . . . . 0.408 ' HA2' ' CD1' ' F' ' 20' ' ' PHE . . . -51.38 -50.32 41.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 51.420000000000002 112.498 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.813 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -165.77 148.91 7.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.848 0.356 . . . . 74.030000000000001 110.873 -179.891 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' F' F ' 35' ' ' MET . . . . . 0.403 ' HG3' ' HB3' ' G' ' 35' ' ' MET . 3.5 ttp -132.18 124.5 29.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 65.310000000000002 110.877 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.796 HG11 HG21 ' A' ' 36' ' ' VAL . 84.6 t -144.51 111.04 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 72.319999999999993 111.108 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.97 -10.37 68.55 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.722 -0.751 . . . . 54.210000000000001 112.527 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -112.04 158.06 14.55 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.708 -0.758 . . . . 50.350000000000001 112.453 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.699 HG23 ' OE1' ' A' ' 15' ' ' GLN . 92.9 t -133.89 143.14 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 71.439999999999998 111.108 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.536 ' HA ' HG22 ' G' ' 40' ' ' VAL . 24.7 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 75.340000000000003 111.154 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.855 0.36 . . . . 64.040000000000006 110.91 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.11 88.65 2.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 72.030000000000001 111.098 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.72 -39.84 86.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 51.100000000000001 110.906 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 4' ' ' PHE . . . . . 0.613 ' CE1' ' HB2' ' B' ' 30' ' ' ALA . 7.3 m-85 -145.26 112.06 5.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 73.109999999999999 110.876 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -131.55 108.26 9.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 74.129999999999995 110.886 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -110.24 117.87 34.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 72.329999999999998 110.848 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -115.12 101.69 9.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 75.450000000000003 110.861 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 26.2 m -152.64 176.22 11.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 71.310000000000002 110.864 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.88 -33.39 5.82 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 63.200000000000003 112.507 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -144.58 128.53 17.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.372 . . . . 74.299999999999997 110.878 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -108.26 117.53 34.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 74.129999999999995 110.875 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 43.9 t -128.21 113.85 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 75.109999999999999 111.105 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -116.8 113.67 22.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 65.150000000000006 110.852 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -125.62 122.44 36.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 65.030000000000001 110.85 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 15' ' ' GLN . . . . . 0.425 ' OE1' HG23 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -117.27 132.51 56.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 61.25 110.928 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' G' G ' 16' ' ' LYS . . . . . 0.434 ' C ' HD22 ' G' ' 17' ' ' LEU . 1.0 OUTLIER -127.94 116.42 20.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 74.150000000000006 110.885 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.74 ' HB2' HD13 ' H' ' 17' ' ' LEU . 4.4 mm? -124.53 104.75 8.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 72.239999999999995 110.9 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 18' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' G' ' 21' ' ' ALA . 93.5 t -107.33 112.02 38.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 63.340000000000003 111.128 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.644 ' CE1' HD12 ' G' ' 17' ' ' LEU . 7.1 m-85 -110.98 103.12 11.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 62.210000000000001 110.86 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 61.74 80.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 75.420000000000002 110.878 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 21' ' ' ALA . . . . . 0.464 ' HB2' ' CG1' ' G' ' 18' ' ' VAL . . . -109.99 133.78 52.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 72.239999999999995 111.137 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 56.28 73.79 0.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 64.150000000000006 110.853 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.586 HG13 HG23 ' H' ' 24' ' ' VAL . 2.8 p -111.73 144.1 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 42.420000000000002 111.108 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.35 -47.32 36.51 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 75.109999999999999 112.473 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -160.64 131.56 5.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.914 0.388 . . . . 71.239999999999995 110.827 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 27' ' ' ASN . . . . . 0.538 HD22 HG21 ' G' ' 31' ' ' ILE . 20.6 m120 -102.12 99.9 10.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 75.450000000000003 110.934 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -114.16 170.87 7.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 73.340000000000003 110.917 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.45 -128.22 35.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.744 . . . . 63.399999999999999 112.518 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.624 ' HB3' ' CE1' ' A' ' 4' ' ' PHE . . . -110.3 112.63 24.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.738 0.304 . . . . 52.509999999999998 111.062 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.87 HG13 HG22 ' H' ' 31' ' ' ILE . 0.0 OUTLIER -119.02 113.54 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 72.25 111.115 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -130.42 121.08 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 63.200000000000003 111.124 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.27 -46.82 92.39 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 73.299999999999997 112.454 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.898 HD22 ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -163.92 147.1 9.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.343 . . . . 72.310000000000002 110.935 -179.889 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.403 ' HB3' ' HG3' ' F' ' 35' ' ' MET . 3.7 ttp -132.54 122.75 25.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 62.240000000000002 110.867 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.761 HG11 HG21 ' B' ' 36' ' ' VAL . 97.3 t -147.65 110.4 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 74.430000000000007 111.072 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.93 -8.7 71.9 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.746 -0.74 . . . . 55.409999999999997 112.466 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.18 156.9 15.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 35.43 112.506 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.632 HG13 ' O ' ' F' ' 39' ' ' VAL . 63.5 t -134.78 139.58 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.886 0.374 . . . . 71.549999999999997 111.102 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.536 HG22 ' HA ' ' F' ' 40' ' ' VAL . 27.2 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 75.349999999999994 111.115 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.839 0.352 . . . . 61.310000000000002 110.844 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.02 89.18 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 71.340000000000003 111.136 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.11 -39.65 82.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 71.239999999999995 110.911 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 4' ' ' PHE . . . . . 0.614 ' CE1' ' HB2' ' C' ' 30' ' ' ALA . 8.5 m-85 -144.5 112.02 6.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 74.049999999999997 110.863 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -128.99 108.08 10.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.150000000000006 110.868 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -111.3 116.28 30.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 72.049999999999997 110.86 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -113.6 101.92 9.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 73.420000000000002 110.854 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 24.5 m -153.58 175.79 12.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 71.519999999999996 110.871 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.14 -32.47 5.82 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.732 -0.747 . . . . 72.209999999999994 112.466 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -144.85 128.55 17.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.833 0.349 . . . . 74.200000000000003 110.918 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -107.18 118.22 36.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 71.219999999999999 110.865 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 43.4 t -126.53 113.35 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 73.219999999999999 111.16 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -117.81 113.36 21.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 75.409999999999997 110.869 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 3.0 m80 -125.75 123.03 37.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 64.209999999999994 110.869 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 15' ' ' GLN . . . . . 0.518 ' OE1' HG23 ' C' ' 39' ' ' VAL . 0.0 OUTLIER -118.79 131.89 56.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 71.5 110.92 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' H' H ' 16' ' ' LYS . . . . . 0.475 ' C ' HD22 ' H' ' 17' ' ' LEU . 1.0 OUTLIER -124.87 116.29 22.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 71.439999999999998 110.921 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.74 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.5 mm? -125.6 102.95 7.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 43.119999999999997 110.902 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 18' ' ' VAL . . . . . 0.46 ' CG1' ' HB2' ' H' ' 21' ' ' ALA . 96.0 t -107.08 112.97 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 73.310000000000002 111.155 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.548 ' CE1' HD12 ' H' ' 17' ' ' LEU . 5.6 m-30 -109.24 100.98 10.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 65.230000000000004 110.866 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 60.21 82.42 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 74.439999999999998 110.883 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 21' ' ' ALA . . . . . 0.46 ' HB2' ' CG1' ' H' ' 18' ' ' VAL . . . -109.93 134.03 52.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 62.100000000000001 111.112 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 56.86 73.81 0.44 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.232 -0.44 . . . . 74.409999999999997 110.842 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 24' ' ' VAL . . . . . 0.586 HG23 HG13 ' G' ' 24' ' ' VAL . 3.1 p -111.26 144.15 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 72.329999999999998 111.129 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.76 -47.22 34.15 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.784 -0.722 . . . . 71.310000000000002 112.506 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -159.85 131.5 6.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 64.109999999999999 110.86 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 27' ' ' ASN . . . . . 0.615 HD22 HG21 ' H' ' 31' ' ' ILE . 18.8 m120 -102.43 99.97 10.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 72.219999999999999 110.925 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -114.74 171.66 7.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 73.450000000000003 110.891 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.94 -129.09 34.69 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.712 -0.756 . . . . 52.5 112.525 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 30' ' ' ALA . . . . . 0.58 ' HB2' ' CZ ' ' C' ' 4' ' ' PHE . . . -108.16 111.81 24.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.779 0.323 . . . . 74.530000000000001 111.091 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.885 HG13 HG22 ' I' ' 31' ' ' ILE . 0.0 OUTLIER -116.18 111.29 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 75.129999999999995 111.101 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -128.71 121.22 54.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 71.120000000000005 111.156 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.99 -46.83 93.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.747 -0.74 . . . . 55.020000000000003 112.493 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.919 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -161.27 146.07 13.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 64.219999999999999 110.941 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 4.1 ttp -131.7 121.83 24.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 62.450000000000003 110.83 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.644 HG21 HG11 ' C' ' 36' ' ' VAL . 85.3 t -150.22 109.66 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 55.420000000000002 111.172 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.25 -8.32 71.54 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.773 -0.727 . . . . 73.349999999999994 112.484 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.36 156.28 15.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 73.349999999999994 112.457 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.628 HG13 ' O ' ' G' ' 39' ' ' VAL . 64.5 t -135.85 138.39 47.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.901 0.382 . . . . 73.120000000000005 111.136 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' H' H ' 40' ' ' VAL . . . . . 0.505 HG22 ' HA ' ' G' ' 40' ' ' VAL . 30.3 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 75.109999999999999 111.139 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.818 0.342 . . . . 64.319999999999993 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.84 89.2 2.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 74.409999999999997 111.081 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.07 -39.51 82.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 71.239999999999995 110.93 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 4' ' ' PHE . . . . . 0.628 ' CE1' ' HB2' ' D' ' 30' ' ' ALA . 8.3 m-85 -144.04 112.29 6.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 72.049999999999997 110.906 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -126.88 108.48 11.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 73.099999999999994 110.849 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -113.29 116.31 29.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 74.299999999999997 110.885 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -113.49 102.16 10.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 71.430000000000007 110.823 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 24.9 m -155.08 174.52 15.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 74.310000000000002 110.817 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.41 -31.9 5.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 50.520000000000003 112.477 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -145.06 129.19 17.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 73.040000000000006 110.946 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -105.88 119.43 39.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.513 . . . . 73.040000000000006 110.877 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 43.8 t -125.52 112.57 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 75.5 111.118 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -118.48 114.06 22.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 60.420000000000002 110.829 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -125.91 122.25 35.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 72.340000000000003 110.82 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 15' ' ' GLN . . . . . 0.521 ' OE1' HG23 ' D' ' 39' ' ' VAL . 0.0 OUTLIER -118.46 132.12 56.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 72.319999999999993 110.921 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' I' I ' 16' ' ' LYS . . . . . 0.566 ' O ' HD22 ' I' ' 17' ' ' LEU . 1.0 OUTLIER -123.82 116.76 23.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 61.439999999999998 110.893 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.728 HD13 ' HB2' ' H' ' 17' ' ' LEU . 4.5 mm? -128.66 101.5 6.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 74.230000000000004 110.922 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 18' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' I' ' 21' ' ' ALA . 88.7 t -105.87 113.99 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 75.230000000000004 111.107 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 19' ' ' PHE . . . . . 0.533 ' HE1' HD12 ' I' ' 17' ' ' LEU . 4.9 m-30 -107.73 98.62 8.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 72.329999999999998 110.881 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 20' ' ' PHE . . . . . 0.411 ' CD1' ' HA2' ' I' ' 33' ' ' GLY . 7.8 m-85 60.19 84.01 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 62.549999999999997 110.88 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 21' ' ' ALA . . . . . 0.479 ' HB2' ' CG1' ' I' ' 18' ' ' VAL . . . -110.97 134.72 52.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 53.450000000000003 111.086 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 56.8 74.02 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 52.420000000000002 110.874 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.553 HG23 HG13 ' H' ' 24' ' ' VAL . 2.8 p -111.71 143.55 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.519999999999996 111.131 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.84 -46.5 37.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 63.100000000000001 112.468 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -160.11 131.25 5.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 53.450000000000003 110.843 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 27' ' ' ASN . . . . . 0.657 HD22 HG21 ' I' ' 31' ' ' ILE . 19.1 m120 -101.74 99.56 9.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 73.439999999999998 110.92 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -114.85 171.97 7.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 62.310000000000002 110.895 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.92 -129.06 34.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.773 -0.727 . . . . 75.230000000000004 112.52 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.604 ' HB2' ' CZ ' ' D' ' 4' ' ' PHE . . . -107.26 111.67 24.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.703 0.287 . . . . 73.040000000000006 111.11 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.885 HG22 HG13 ' H' ' 31' ' ' ILE . 0.0 OUTLIER -114.15 110.58 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.140000000000001 111.088 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -127.81 120.3 53.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 73.519999999999996 111.165 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 33' ' ' GLY . . . . . 0.411 ' HA2' ' CD1' ' I' ' 20' ' ' PHE . . . -62.18 -45.79 95.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 35.420000000000002 112.513 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.932 HD22 ' O ' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -160.87 145.44 13.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.807 0.336 . . . . 62.229999999999997 110.906 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 4.2 ttp -132.02 120.78 22.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 63.229999999999997 110.905 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.64 ' O ' HG13 ' J' ' 36' ' ' VAL . 89.7 t -150.74 109.06 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 50.43 111.107 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.85 -6.97 72.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 62.509999999999998 112.454 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.0 155.07 16.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 54.100000000000001 112.507 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 0.62 HG13 ' O ' ' H' ' 39' ' ' VAL . 69.1 t -136.12 137.36 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.34 . . . . 71.200000000000003 111.158 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' I' I ' 40' ' ' VAL . . . . . 0.458 HG22 ' HA ' ' H' ' 40' ' ' VAL . 30.4 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 74.230000000000004 111.171 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.889 0.376 . . . . 74.030000000000001 110.833 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.27 88.87 2.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 63.32 111.073 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.2 -38.82 80.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 73.239999999999995 110.845 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' J' J ' 4' ' ' PHE . . . . . 0.601 ' CZ ' ' HB2' ' E' ' 30' ' ' ALA . 6.2 m-85 -144.47 114.02 7.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 62.240000000000002 110.86 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -126.27 106.31 9.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 73.340000000000003 110.875 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -114.66 114.64 25.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 73.319999999999993 110.885 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -110.69 101.21 9.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 73.549999999999997 110.918 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 27.0 m -155.32 170.25 22.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 73.239999999999995 110.896 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.44 -30.46 7.29 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.771 -0.728 . . . . 71.219999999999999 112.481 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -146.18 127.91 15.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.823 0.344 . . . . 73.340000000000003 110.966 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -105.5 119.89 40.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 73.519999999999996 110.902 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 44.4 t -123.67 113.41 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 61.210000000000001 111.138 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -118.83 113.0 20.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 62.020000000000003 110.826 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -124.74 123.45 40.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 74.019999999999996 110.863 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' J' J ' 15' ' ' GLN . . . . . 0.618 ' OE1' HG23 ' E' ' 39' ' ' VAL . 0.0 OUTLIER -120.22 135.06 55.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 73.450000000000003 110.926 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' J' J ' 16' ' ' LYS . . . . . 0.56 ' O ' HD22 ' J' ' 17' ' ' LEU . 0.9 OUTLIER -123.63 116.11 22.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.450000000000003 110.899 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.618 HD13 ' HB2' ' I' ' 17' ' ' LEU . 4.3 mm? -129.03 102.67 6.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 74.040000000000006 110.949 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' J' J ' 18' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' J' ' 21' ' ' ALA . 93.1 t -105.25 115.38 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 63.329999999999998 111.116 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.561 ' HE1' HD12 ' J' ' 17' ' ' LEU . 4.8 m-30 -107.84 95.9 6.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 74.519999999999996 110.912 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' J' J ' 20' ' ' PHE . . . . . 0.414 ' CD1' ' HA2' ' J' ' 33' ' ' GLY . 7.0 m-85 60.66 82.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 75.040000000000006 110.872 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' J' J ' 21' ' ' ALA . . . . . 0.481 ' HB2' ' CG1' ' J' ' 18' ' ' VAL . . . -108.02 135.49 49.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 54.240000000000002 111.12 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 54.35 74.75 0.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 74.109999999999999 110.86 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.595 HG11 HD22 ' J' ' 27' ' ' ASN . 3.1 p -110.41 142.75 21.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 73.409999999999997 111.097 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.27 -45.61 30.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 74.420000000000002 112.5 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 4.2 m -161.0 131.52 5.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 63.149999999999999 110.844 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' J' J ' 27' ' ' ASN . . . . . 0.595 HD22 HG11 ' J' ' 24' ' ' VAL . 74.5 m-20 -100.59 98.82 9.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 74.319999999999993 110.898 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -114.78 171.28 7.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 73.420000000000002 110.89 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' J' J ' 29' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' E' ' 3' ' ' GLU . . . 52.42 -131.9 38.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 53.43 112.459 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 0.563 ' HB2' ' CZ ' ' E' ' 4' ' ' PHE . . . -103.64 113.15 26.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.761 0.315 . . . . 60.109999999999999 111.149 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.756 HG22 HG13 ' I' ' 31' ' ' ILE . 0.0 OUTLIER -111.3 113.36 44.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 74.549999999999997 111.125 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -130.13 113.67 26.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 62.020000000000003 111.136 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' J' J ' 33' ' ' GLY . . . . . 0.414 ' HA2' ' CD1' ' J' ' 20' ' ' PHE . . . -60.78 -41.06 98.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 65.230000000000004 112.462 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.812 HD22 ' O ' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -163.73 144.22 8.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.835 0.35 . . . . 74.239999999999995 110.912 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 4.0 ttp -133.04 120.72 21.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 73.319999999999993 110.87 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.64 HG13 ' O ' ' I' ' 36' ' ' VAL . 95.9 t -151.48 108.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 75.319999999999993 111.158 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.9 -3.85 68.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 51.130000000000003 112.507 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.76 155.0 16.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 73.109999999999999 112.487 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.585 HG23 ' OE1' ' E' ' 15' ' ' GLN . 72.4 t -136.29 140.5 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 73.439999999999998 111.152 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 24.9 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 71.049999999999997 111.104 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.805 0.336 . . . . 73.409999999999997 110.876 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.93 101.87 6.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 62.310000000000002 111.121 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.07 -34.31 77.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 73.030000000000001 110.882 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' PHE . . . . . 0.677 ' CE1' ' HB2' ' F' ' 30' ' ' ALA . 5.9 m-85 -147.27 113.02 5.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 64.420000000000002 110.917 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -137.8 108.01 6.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 75.019999999999996 110.853 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -112.73 109.36 18.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.467 . . . . 65.530000000000001 110.882 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -110.69 101.98 10.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 50.229999999999997 110.908 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.5 m -145.51 176.88 9.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 72.140000000000001 110.9 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.34 -7.27 43.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.777 -0.725 . . . . 74.030000000000001 112.47 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.47 117.52 0.35 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.849 0.357 . . . . 74.329999999999998 110.929 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.55 119.88 36.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 70.239999999999995 110.909 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.8 t -135.58 114.01 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 62.350000000000001 111.103 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 13.5 m-70 -126.16 131.79 51.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 74.129999999999995 110.85 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 16.7 m80 -138.94 121.59 16.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 74.230000000000004 110.846 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -129.92 135.38 48.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 71.019999999999996 110.898 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -130.11 122.33 28.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 54.140000000000001 110.923 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LEU . . . . . 0.623 ' HB2' HD13 ' B' ' 17' ' ' LEU . 3.9 mm? -117.26 104.28 11.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 61.240000000000002 110.923 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.5 t -107.39 116.48 51.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 74.340000000000003 111.17 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' PHE . . . . . 0.605 ' HE1' HD12 ' A' ' 17' ' ' LEU . 8.4 m-85 -101.22 107.91 19.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 63.200000000000003 110.891 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PHE . . . . . 0.552 ' C ' ' O ' ' A' ' 19' ' ' PHE . 7.3 p90 24.2 79.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 75.420000000000002 110.815 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.72 149.38 29.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 71.319999999999993 111.118 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.5 t0 63.85 66.4 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 64.329999999999998 110.856 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' VAL . . . . . 0.756 HG13 HG23 ' B' ' 24' ' ' VAL . 4.5 p -110.71 144.17 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 74.299999999999997 111.122 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.57 -50.03 58.8 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.717 -0.754 . . . . 60.340000000000003 112.518 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.9 m -160.53 129.96 5.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 75.219999999999999 110.867 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -100.48 102.29 13.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 74.140000000000001 110.881 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.23 149.67 35.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 73.409999999999997 110.868 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.79 -133.32 20.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.745 . . . . 43.0 112.459 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.669 ' HB2' ' CE1' ' F' ' 4' ' ' PHE . . . -105.76 114.27 28.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.32 . . . . 74.200000000000003 111.119 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ILE . . . . . 0.524 ' N ' HD13 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -121.17 112.11 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 72.310000000000002 111.126 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -129.24 121.15 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 74.519999999999996 111.149 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.32 -48.7 84.66 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.757 -0.735 . . . . 53.020000000000003 112.458 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LEU . . . . . 0.831 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -160.73 147.59 15.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 74.019999999999996 110.873 -179.88 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.9 mtp -135.99 123.32 21.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 73.540000000000006 110.89 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' VAL . . . . . 0.595 HG11 HG21 ' F' ' 36' ' ' VAL . 74.1 t -129.11 113.38 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 72.420000000000002 111.142 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.14 17.81 77.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 54.240000000000002 112.482 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.18 -171.1 29.67 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.765 -0.731 . . . . 64.109999999999999 112.473 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' VAL . . . . . 0.886 HG13 HG23 ' B' ' 39' ' ' VAL . 14.6 p -169.18 150.45 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.373 . . . . 61.310000000000002 111.092 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' VAL . . . . . 0.407 ' HA ' HG22 ' B' ' 40' ' ' VAL . 34.9 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 70.519999999999996 111.121 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.782 0.325 . . . . 61.310000000000002 110.894 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.98 101.99 6.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 53.420000000000002 111.116 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.64 -32.32 72.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 63.009999999999998 110.895 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 4' ' ' PHE . . . . . 0.66 ' CE1' ' HB2' ' G' ' 30' ' ' ALA . 6.8 m-85 -149.0 111.83 4.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 74.310000000000002 110.854 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -133.41 108.04 8.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 74.420000000000002 110.865 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 6' ' ' HIS . . . . . 0.427 ' CE1' ' HB2' ' B' ' 8' ' ' SER . 46.0 t-80 -114.22 109.37 18.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 62.329999999999998 110.879 179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -111.87 102.13 10.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 73.239999999999995 110.861 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 8' ' ' SER . . . . . 0.427 ' HB2' ' CE1' ' B' ' 6' ' ' HIS . 43.5 m -145.91 176.34 9.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 73.420000000000002 110.855 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.54 -7.31 42.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 73.200000000000003 112.493 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.4 116.05 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.847 0.356 . . . . 63.149999999999999 110.908 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.45 119.59 34.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 75.099999999999994 110.896 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.5 t -133.22 114.22 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 74.209999999999994 111.115 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -125.08 132.61 53.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 74.019999999999996 110.897 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -136.35 122.87 20.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 75.310000000000002 110.835 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -129.69 132.62 46.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 63.409999999999997 110.87 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -128.69 121.75 29.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 72.049999999999997 110.898 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 17' ' ' LEU . . . . . 0.623 HD13 ' HB2' ' A' ' 17' ' ' LEU . 4.1 mm? -120.06 102.29 8.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 75.239999999999995 110.886 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 60.9 t -105.91 116.12 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 75.129999999999995 111.087 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 19' ' ' PHE . . . . . 0.594 ' HE1' HD12 ' B' ' 17' ' ' LEU . 6.1 m-30 -101.08 99.88 10.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 74.349999999999994 110.911 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 20' ' ' PHE . . . . . 0.515 ' C ' ' O ' ' B' ' 19' ' ' PHE . 9.8 p90 27.3 79.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 61.439999999999998 110.858 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.03 149.85 27.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 54.439999999999998 111.097 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 25.0 t0 64.35 66.93 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 52.210000000000001 110.857 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' VAL . . . . . 0.798 HG13 HG23 ' C' ' 24' ' ' VAL . 3.5 p -110.17 142.98 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 52.439999999999998 111.126 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.8 -48.18 73.84 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.803 -0.713 . . . . 75.140000000000001 112.51 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' SER . . . . . 0.405 ' H ' HG22 ' B' ' 24' ' ' VAL . 10.5 m -160.64 128.51 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 64.230000000000004 110.879 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -100.04 101.71 12.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 72.409999999999997 110.878 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.82 152.32 30.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 72.530000000000001 110.904 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.54 -132.04 22.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 72.120000000000005 112.492 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.641 ' HB2' ' CE1' ' G' ' 4' ' ' PHE . . . -107.62 114.21 28.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.789 0.328 . . . . 71.519999999999996 111.053 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 31' ' ' ILE . . . . . 0.548 ' N ' HD13 ' B' ' 31' ' ' ILE . 0.0 OUTLIER -118.8 111.94 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 74.430000000000007 111.137 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.417 HG21 ' HG3' ' B' ' 35' ' ' MET . 3.5 mt -127.62 123.69 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 74.099999999999994 111.157 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.96 -49.38 76.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 60.020000000000003 112.47 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 34' ' ' LEU . . . . . 0.909 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -156.91 147.34 21.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.338 . . . . 70.540000000000006 110.901 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 35' ' ' MET . . . . . 0.417 ' HG3' HG21 ' B' ' 32' ' ' ILE . 5.0 mtp -131.07 123.08 27.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 51.109999999999999 110.903 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' VAL . . . . . 0.782 HG11 HG21 ' G' ' 36' ' ' VAL . 91.1 t -134.73 112.31 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 64.010000000000005 111.137 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.98 19.15 69.58 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 74.109999999999999 112.474 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.71 -171.7 33.07 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 65.510000000000005 112.452 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 39' ' ' VAL . . . . . 0.886 HG23 HG13 ' A' ' 39' ' ' VAL . 14.8 p -168.28 149.62 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 64.310000000000002 111.115 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 40' ' ' VAL . . . . . 0.415 ' HA ' HG22 ' C' ' 40' ' ' VAL . 35.3 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 70.430000000000007 111.099 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.77 0.319 . . . . 74.010000000000005 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.69 102.42 6.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 73.439999999999998 111.153 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.75 -31.96 72.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 73.519999999999996 110.9 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 4' ' ' PHE . . . . . 0.637 ' CE1' ' HB2' ' H' ' 30' ' ' ALA . 7.2 m-85 -149.37 111.31 4.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 71.049999999999997 110.883 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -131.25 108.2 9.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 64.439999999999998 110.915 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 6' ' ' HIS . . . . . 0.415 ' CE1' ' HB2' ' C' ' 8' ' ' SER . 48.2 t-80 -116.18 109.11 17.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 71.400000000000006 110.837 -179.96 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -111.61 102.15 10.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 74.420000000000002 110.892 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 8' ' ' SER . . . . . 0.415 ' HB2' ' CE1' ' C' ' 6' ' ' HIS . 45.9 m -145.88 175.97 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 43.509999999999998 110.872 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.36 -7.05 40.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 73.109999999999999 112.477 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -172.29 115.85 0.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.819 0.342 . . . . 74.439999999999998 110.913 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.7 119.92 34.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 75.219999999999999 110.891 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 99.4 t -132.11 113.94 22.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 71.530000000000001 111.113 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -124.86 132.5 53.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 72.420000000000002 110.893 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -135.27 123.45 22.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 70.329999999999998 110.854 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -129.97 132.2 46.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 73.540000000000006 110.895 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 16' ' ' LYS . . . . . 0.405 ' O ' HD22 ' C' ' 17' ' ' LEU . 10.9 tttp -127.71 121.79 31.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 64.319999999999993 110.93 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 17' ' ' LEU . . . . . 0.606 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.0 mm? -123.31 101.28 7.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 71.450000000000003 110.926 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 58.8 t -105.91 117.35 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 61.030000000000001 111.12 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 19' ' ' PHE . . . . . 0.569 ' HE1' HD12 ' C' ' 17' ' ' LEU . 4.6 m-30 -101.14 98.75 9.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 72.049999999999997 110.877 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 20' ' ' PHE . . . . . 0.522 ' C ' ' O ' ' C' ' 19' ' ' PHE . 9.8 p90 26.95 78.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 73.219999999999999 110.881 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.1 149.65 26.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 71.040000000000006 111.12 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t0 64.16 67.22 0.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 75.349999999999994 110.843 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 24' ' ' VAL . . . . . 0.798 HG23 HG13 ' B' ' 24' ' ' VAL . 3.4 p -110.06 142.72 21.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 73.439999999999998 111.089 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.76 -47.37 86.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.712 -0.756 . . . . 73.219999999999999 112.484 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 26' ' ' SER . . . . . 0.417 ' H ' HG22 ' C' ' 24' ' ' VAL . 11.4 m -160.19 128.03 4.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.358 . . . . 43.030000000000001 110.847 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 27' ' ' ASN . . . . . 0.411 ' OD1' HG11 ' C' ' 24' ' ' VAL . 22.9 m-20 -101.03 101.14 11.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 75.239999999999995 110.876 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.03 152.47 30.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 73.219999999999999 110.883 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.54 -132.67 20.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 61.43 112.493 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 30' ' ' ALA . . . . . 0.644 ' HB2' ' CE1' ' H' ' 4' ' ' PHE . . . -106.54 113.77 27.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 73.120000000000005 111.085 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 31' ' ' ILE . . . . . 0.551 ' N ' HD13 ' C' ' 31' ' ' ILE . 0.0 OUTLIER -118.09 111.15 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 65.109999999999999 111.134 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.465 HG21 ' HG3' ' C' ' 35' ' ' MET . 3.4 mt -126.84 123.47 62.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 64.329999999999998 111.181 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.2 -49.61 73.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 61.509999999999998 112.448 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 34' ' ' LEU . . . . . 0.896 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -155.54 146.19 22.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.341 . . . . 60.340000000000003 110.909 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' C' C ' 35' ' ' MET . . . . . 0.465 ' HG3' HG21 ' C' ' 32' ' ' ILE . 5.0 mtp -129.02 122.68 30.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 75.219999999999999 110.907 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 36' ' ' VAL . . . . . 0.838 HG21 HG11 ' H' ' 36' ' ' VAL . 93.9 t -136.01 111.52 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 75.150000000000006 111.163 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.04 20.73 67.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.804 -0.712 . . . . 70.299999999999997 112.488 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.0 -171.74 34.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.658 -0.782 . . . . 72.109999999999999 112.48 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 39' ' ' VAL . . . . . 0.887 HG13 HG23 ' D' ' 39' ' ' VAL . 14.8 p -167.61 149.47 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.37 . . . . 75.230000000000004 111.117 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 40' ' ' VAL . . . . . 0.442 ' HA ' HG22 ' D' ' 40' ' ' VAL . 35.9 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 71.329999999999998 111.11 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.795 0.331 . . . . 63.530000000000001 110.873 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.96 102.5 6.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 73.120000000000005 111.125 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.14 -32.19 73.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 42.329999999999998 110.897 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 4' ' ' PHE . . . . . 0.658 ' CE1' ' HB2' ' I' ' 30' ' ' ALA . 7.0 m-85 -148.97 110.83 4.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 74.549999999999997 110.914 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -129.75 108.09 9.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 62.329999999999998 110.855 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 6' ' ' HIS . . . . . 0.406 ' CE1' ' HB2' ' D' ' 8' ' ' SER . 49.8 t-80 -118.2 108.92 15.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 74.409999999999997 110.881 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -110.38 102.34 10.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 73.239999999999995 110.83 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 8' ' ' SER . . . . . 0.406 ' HB2' ' CE1' ' D' ' 6' ' ' HIS . 48.0 m -146.14 174.34 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 71.239999999999995 110.841 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.02 -6.14 40.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.743 . . . . 73.25 112.494 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -171.89 116.44 0.38 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.8 0.333 . . . . 73.400000000000006 110.883 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.11 121.85 36.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 75.239999999999995 110.894 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 98.8 t -131.95 114.01 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 74.219999999999999 111.084 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -126.4 132.41 51.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 75.519999999999996 110.874 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -134.91 123.76 23.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 72.25 110.826 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -130.41 131.32 45.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 74.239999999999995 110.918 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 16' ' ' LYS . . . . . 0.468 ' O ' HD22 ' D' ' 17' ' ' LEU . 11.3 tttp -126.42 120.5 29.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 64.409999999999997 110.902 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 17' ' ' LEU . . . . . 0.56 HD12 ' HE1' ' D' ' 19' ' ' PHE . 3.8 mm? -125.5 100.37 6.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 62.25 110.904 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 59.5 t -105.86 119.01 54.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 73.319999999999993 111.138 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 19' ' ' PHE . . . . . 0.56 ' HE1' HD12 ' D' ' 17' ' ' LEU . 4.0 m-30 -100.93 97.01 7.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 74.010000000000005 110.91 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 20' ' ' PHE . . . . . 0.523 ' C ' ' O ' ' D' ' 19' ' ' PHE . 10.0 p90 27.22 77.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 63.240000000000002 110.901 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.37 149.63 25.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 71.299999999999997 111.109 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 25.1 t0 64.01 67.72 0.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 63.229999999999997 110.888 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 24' ' ' VAL . . . . . 0.797 HG13 HG23 ' E' ' 24' ' ' VAL . 3.5 p -110.53 142.44 22.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 74.409999999999997 111.097 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.45 -47.05 90.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.729 . . . . 41.229999999999997 112.495 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 26' ' ' SER . . . . . 0.415 ' H ' HG22 ' D' ' 24' ' ' VAL . 10.1 m -160.43 126.93 4.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.916 0.389 . . . . 62.310000000000002 110.851 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -101.01 102.65 13.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 75.439999999999998 110.882 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.97 152.5 30.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 74.310000000000002 110.874 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.83 -132.57 19.89 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.717 -0.754 . . . . 33.43 112.515 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.664 ' HB2' ' CE1' ' I' ' 4' ' ' PHE . . . -106.91 113.43 26.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.751 0.31 . . . . 74.430000000000007 111.11 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 31' ' ' ILE . . . . . 0.557 ' N ' HD13 ' D' ' 31' ' ' ILE . 0.0 OUTLIER -116.97 111.25 34.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 72.450000000000003 111.121 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.495 HG21 ' HG3' ' D' ' 35' ' ' MET . 3.3 mt -126.06 123.53 64.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 74.319999999999993 111.133 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.99 -51.38 57.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 44.25 112.521 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 34' ' ' LEU . . . . . 0.91 HD22 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -153.42 144.71 23.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 73.200000000000003 110.927 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' D' D ' 35' ' ' MET . . . . . 0.495 ' HG3' HG21 ' D' ' 32' ' ' ILE . 5.0 mtp -128.68 122.05 29.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 73.219999999999999 110.874 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 36' ' ' VAL . . . . . 0.867 HG11 HG21 ' I' ' 36' ' ' VAL . 98.9 t -136.96 111.0 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 73.239999999999995 111.128 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.04 20.05 66.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.681 -0.771 . . . . 41.329999999999998 112.488 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.1 -171.37 35.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 74.510000000000005 112.523 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 39' ' ' VAL . . . . . 0.887 HG23 HG13 ' C' ' 39' ' ' VAL . 14.5 p -166.87 150.32 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 42.350000000000001 111.085 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 40' ' ' VAL . . . . . 0.482 ' HA ' HG22 ' E' ' 40' ' ' VAL . 35.7 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 74.239999999999995 111.115 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.781 0.324 . . . . 45.240000000000002 110.921 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.31 102.45 6.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 71.299999999999997 111.073 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 3' ' ' GLU . . . . . 0.422 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . 1.7 mp0 -65.81 -31.34 72.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 64.230000000000004 110.93 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 4' ' ' PHE . . . . . 0.61 ' CE1' ' HB2' ' J' ' 30' ' ' ALA . 7.2 m-85 -148.69 113.4 5.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 63.329999999999998 110.885 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -129.52 106.42 8.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 73.439999999999998 110.863 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -118.83 109.08 15.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 75.120000000000005 110.86 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -108.38 101.45 10.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 70.510000000000005 110.881 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 47.5 m -148.47 169.6 19.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 74.519999999999996 110.835 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.15 -5.57 43.45 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.711 -0.757 . . . . 74.030000000000001 112.486 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -170.93 115.21 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.366 . . . . 74.099999999999994 110.895 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.91 123.71 38.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 52.149999999999999 110.894 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 92.8 t -129.89 115.17 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 73.310000000000002 111.105 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -126.33 133.48 51.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 71.329999999999998 110.865 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -134.58 124.35 25.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 74.209999999999994 110.862 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -131.94 132.6 43.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 73.430000000000007 110.922 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 16' ' ' LYS . . . . . 0.548 ' O ' HD22 ' E' ' 17' ' ' LEU . 10.5 tttp -126.96 120.58 29.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 65.219999999999999 110.896 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 17' ' ' LEU . . . . . 0.548 HD22 ' O ' ' E' ' 16' ' ' LYS . 3.8 mm? -128.0 100.06 5.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 72.340000000000003 110.92 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 60.3 t -104.4 120.67 55.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 71.439999999999998 111.09 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 19' ' ' PHE . . . . . 0.532 ' HE1' HD12 ' E' ' 17' ' ' LEU . 3.5 m-30 -103.5 95.95 6.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 73.129999999999995 110.909 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 20' ' ' PHE . . . . . 0.511 ' C ' ' O ' ' E' ' 19' ' ' PHE . 12.3 p90 29.02 75.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 73.010000000000005 110.839 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.84 147.08 27.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 72.209999999999994 111.083 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 24.6 t0 62.27 69.13 0.63 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 72.5 110.887 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 24' ' ' VAL . . . . . 0.797 HG23 HG13 ' D' ' 24' ' ' VAL . 4.2 p -110.19 141.66 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 64.439999999999998 111.114 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.34 -47.04 92.0 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.756 -0.735 . . . . 55.240000000000002 112.493 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 10.8 m -160.59 126.3 3.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 71.420000000000002 110.882 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -101.33 102.84 13.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 74.25 110.898 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.14 152.77 30.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 72.310000000000002 110.945 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.75 -134.01 21.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 74.030000000000001 112.478 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 30' ' ' ALA . . . . . 0.638 ' HB2' ' CZ ' ' J' ' 4' ' ' PHE . . . -103.85 113.7 27.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.743 0.306 . . . . 51.140000000000001 111.136 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 31' ' ' ILE . . . . . 0.481 ' N ' HD13 ' E' ' 31' ' ' ILE . 0.0 OUTLIER -115.95 112.75 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 73.450000000000003 111.123 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' E' E ' 32' ' ' ILE . . . . . 0.558 HG21 ' HG3' ' E' ' 35' ' ' MET . 3.3 mt -128.04 120.58 54.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 74.239999999999995 111.118 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.6 -47.8 88.34 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 62.340000000000003 112.459 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 34' ' ' LEU . . . . . 0.85 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -153.32 148.14 26.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.849 0.357 . . . . 74.030000000000001 110.933 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' E' E ' 35' ' ' MET . . . . . 0.558 ' HG3' HG21 ' E' ' 32' ' ' ILE . 4.9 mtp -134.21 120.12 19.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 63.229999999999997 110.847 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 36' ' ' VAL . . . . . 0.724 HG11 HG21 ' J' ' 36' ' ' VAL . 93.8 t -138.0 111.18 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 74.010000000000005 111.144 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.84 21.21 63.0 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.761 -0.733 . . . . 64.319999999999993 112.485 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.9 -171.16 35.56 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 71.219999999999999 112.46 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' E' E ' 39' ' ' VAL . . . . . 0.805 HG23 HG13 ' D' ' 39' ' ' VAL . 14.7 p -166.9 150.03 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 72.230000000000004 111.131 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' E' E ' 40' ' ' VAL . . . . . 0.482 HG22 ' HA ' ' D' ' 40' ' ' VAL . 29.0 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 74.510000000000005 111.139 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.83 0.348 . . . . 72.230000000000004 110.841 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.42 101.94 6.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 73.430000000000007 111.111 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -67.03 -33.76 76.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 53.340000000000003 110.882 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 4' ' ' PHE . . . . . 0.669 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 6.0 m-85 -147.08 113.46 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 71.219999999999999 110.857 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -137.85 108.16 6.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 61.149999999999999 110.913 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -112.49 109.43 19.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 70.540000000000006 110.884 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -110.45 102.34 10.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 75.219999999999999 110.863 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 45.0 m -145.93 176.61 9.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 74.129999999999995 110.864 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.29 -7.33 43.41 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 74.010000000000005 112.475 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.29 117.58 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 65.219999999999999 110.899 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.14 119.57 35.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 74.329999999999998 110.912 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 89.8 t -135.56 114.14 15.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.475 . . . . 73.299999999999997 111.078 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 13.7 m-70 -126.38 132.16 51.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 72.25 110.817 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 16.8 m80 -139.12 121.93 16.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 71.340000000000003 110.882 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -130.6 135.09 47.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 64.200000000000003 110.886 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -130.12 122.66 28.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 74.530000000000001 110.948 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 17' ' ' LEU . . . . . 0.628 ' HB2' HD13 ' G' ' 17' ' ' LEU . 3.9 mm? -117.34 104.29 10.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 72.120000000000005 110.936 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 60.6 t -107.38 116.76 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 74.530000000000001 111.143 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 19' ' ' PHE . . . . . 0.58 ' HE1' HD12 ' F' ' 17' ' ' LEU . 8.3 m-85 -101.42 107.65 19.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 75.450000000000003 110.873 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 20' ' ' PHE . . . . . 0.558 ' C ' ' O ' ' F' ' 19' ' ' PHE . 7.2 p90 24.41 79.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 71.349999999999994 110.884 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.69 149.21 29.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 65.140000000000001 111.085 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 24.4 t0 64.46 66.22 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 54.100000000000001 110.892 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 24' ' ' VAL . . . . . 0.76 HG13 HG23 ' G' ' 24' ' ' VAL . 4.6 p -110.94 144.43 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 74.209999999999994 111.145 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.18 -50.06 60.87 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 54.140000000000001 112.499 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 11.4 m -160.44 128.82 4.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.378 . . . . 73.239999999999995 110.854 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -98.97 101.62 13.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 74.209999999999994 110.864 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.87 150.33 33.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 73.450000000000003 110.942 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.59 -134.2 22.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 62.310000000000002 112.453 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 30' ' ' ALA . . . . . 0.677 ' HB2' ' CE1' ' A' ' 4' ' ' PHE . . . -104.99 113.8 27.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.32 . . . . 75.340000000000003 111.088 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 31' ' ' ILE . . . . . 0.533 ' N ' HD13 ' F' ' 31' ' ' ILE . 0.0 OUTLIER -121.0 112.71 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 73.329999999999998 111.108 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mt -129.68 120.8 51.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 64.120000000000005 111.139 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 33' ' ' GLY . . . . . 0.4 ' HA3' ' HB3' ' F' ' 19' ' ' PHE . . . -58.39 -49.6 74.82 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.689 -0.767 . . . . 75.019999999999996 112.478 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 34' ' ' LEU . . . . . 0.852 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -160.8 147.8 15.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 71.329999999999998 110.915 -179.9 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtp -135.26 123.31 22.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 62.43 110.915 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 36' ' ' VAL . . . . . 0.595 HG21 HG11 ' A' ' 36' ' ' VAL . 74.7 t -129.03 113.27 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 51.420000000000002 111.171 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.74 17.21 76.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.779 -0.724 . . . . 62.329999999999998 112.463 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.29 -171.2 29.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 72.010000000000005 112.498 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' F' F ' 39' ' ' VAL . . . . . 0.886 HG13 HG23 ' G' ' 39' ' ' VAL . 14.8 p -168.97 149.97 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 71.310000000000002 111.109 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' F' F ' 40' ' ' VAL . . . . . 0.441 HG12 HG22 ' G' ' 40' ' ' VAL . 34.2 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 55.350000000000001 111.142 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.8 0.333 . . . . 72.310000000000002 110.867 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.88 101.58 6.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 62.219999999999999 111.142 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -67.03 -33.75 76.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 73.010000000000005 110.884 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 4' ' ' PHE . . . . . 0.641 ' CE1' ' HB2' ' B' ' 30' ' ' ALA . 7.0 m-85 -148.48 112.42 5.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 72.450000000000003 110.911 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -133.24 108.44 8.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 74.340000000000003 110.894 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 6' ' ' HIS . . . . . 0.433 ' CE1' ' HB2' ' G' ' 8' ' ' SER . 44.9 t-80 -113.83 108.9 17.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 43.420000000000002 110.803 -179.975 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -111.19 102.18 10.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 71.120000000000005 110.918 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 8' ' ' SER . . . . . 0.433 ' HB2' ' CE1' ' G' ' 6' ' ' HIS . 45.5 m -146.34 176.16 9.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 72.109999999999999 110.865 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.59 -7.23 42.77 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 64.120000000000005 112.44 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.37 116.22 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 72.239999999999995 110.908 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.31 119.41 33.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 71.430000000000007 110.851 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 96.7 t -133.3 114.24 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 62.310000000000002 111.174 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 42.0 m170 -125.24 132.62 52.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 62.329999999999998 110.864 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 17.0 m80 -136.27 123.01 21.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 75.099999999999994 110.828 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -130.41 132.6 45.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 64.420000000000002 110.92 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -128.77 122.98 31.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 70.430000000000007 110.906 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 17' ' ' LEU . . . . . 0.635 ' HB2' HD13 ' H' ' 17' ' ' LEU . 4.2 mm? -120.33 102.27 8.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 72.340000000000003 110.914 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 60.4 t -105.9 115.8 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 71.209999999999994 111.158 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 19' ' ' PHE . . . . . 0.573 ' HE1' HD12 ' G' ' 17' ' ' LEU . 6.0 m-30 -101.08 99.71 10.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 71.150000000000006 110.894 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 20' ' ' PHE . . . . . 0.521 ' C ' ' O ' ' G' ' 19' ' ' PHE . 10.2 p90 27.45 79.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 75.010000000000005 110.844 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.3 149.99 27.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 54.329999999999998 111.054 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t0 64.47 66.82 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 73.310000000000002 110.875 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 24' ' ' VAL . . . . . 0.822 HG13 HG23 ' H' ' 24' ' ' VAL . 3.6 p -110.3 143.2 20.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 50.240000000000002 111.141 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.48 -48.2 78.04 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 22.309999999999999 112.492 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 10.8 m -160.28 127.8 4.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 72.400000000000006 110.887 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -99.89 101.13 12.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 64.430000000000007 110.868 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.53 153.19 29.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 73.420000000000002 110.846 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.42 -132.5 22.97 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.735 -0.745 . . . . 72.310000000000002 112.489 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 30' ' ' ALA . . . . . 0.66 ' HB2' ' CE1' ' B' ' 4' ' ' PHE . . . -107.46 113.97 27.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 63.450000000000003 111.118 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 31' ' ' ILE . . . . . 0.556 ' N ' HD13 ' G' ' 31' ' ' ILE . 0.0 OUTLIER -118.73 112.33 37.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 72.519999999999996 111.176 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' G' G ' 32' ' ' ILE . . . . . 0.416 HG21 ' HG3' ' G' ' 35' ' ' MET . 3.5 mt -127.83 123.69 61.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 73.319999999999993 111.17 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.01 -49.73 72.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 62.009999999999998 112.464 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 34' ' ' LEU . . . . . 0.909 HD22 ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -157.12 147.3 20.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.836 0.35 . . . . 64.209999999999994 110.915 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' G' G ' 35' ' ' MET . . . . . 0.416 ' HG3' HG21 ' G' ' 32' ' ' ILE . 5.0 mtp -131.07 123.19 28.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 43.130000000000003 110.855 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 36' ' ' VAL . . . . . 0.782 HG21 HG11 ' B' ' 36' ' ' VAL . 85.9 t -134.61 112.43 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 73.319999999999993 111.168 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.38 18.64 69.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 72.340000000000003 112.47 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.22 -171.95 32.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.773 -0.727 . . . . 72.409999999999997 112.508 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' G' G ' 39' ' ' VAL . . . . . 0.903 HG13 HG23 ' H' ' 39' ' ' VAL . 14.8 p -168.08 149.47 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.885 0.374 . . . . 72.409999999999997 111.099 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' G' G ' 40' ' ' VAL . . . . . 0.441 HG22 HG12 ' F' ' 40' ' ' VAL . 34.3 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 71.400000000000006 111.089 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.808 0.337 . . . . 72.200000000000003 110.857 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.97 102.47 6.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 71.030000000000001 111.091 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.58 -33.83 76.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 71.439999999999998 110.897 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 4' ' ' PHE . . . . . 0.644 ' CE1' ' HB2' ' C' ' 30' ' ' ALA . 6.9 m-85 -148.77 112.28 5.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 75.030000000000001 110.904 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -131.64 108.11 9.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 64.430000000000007 110.838 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 6' ' ' HIS . . . . . 0.42 ' CE1' ' HB2' ' H' ' 8' ' ' SER . 47.1 t-80 -115.08 108.81 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 62.329999999999998 110.854 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -111.2 102.1 10.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 75.010000000000005 110.874 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 8' ' ' SER . . . . . 0.42 ' HB2' ' CE1' ' H' ' 6' ' ' HIS . 45.7 m -145.86 175.65 10.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 72.409999999999997 110.86 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.73 -7.41 41.98 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 41.340000000000003 112.485 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -172.34 115.57 0.33 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.839 0.352 . . . . 73.109999999999999 110.947 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.86 119.87 33.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 75.430000000000007 110.897 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 98.9 t -132.37 114.08 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 72.329999999999998 111.114 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 43.0 m170 -125.22 132.3 53.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 74.319999999999993 110.889 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -135.21 123.31 22.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 61.210000000000001 110.843 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -130.4 132.38 45.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 52.539999999999999 110.911 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -127.49 122.3 33.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 73.25 110.901 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 17' ' ' LEU . . . . . 0.635 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.2 mm? -122.5 100.98 7.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 70.120000000000005 110.905 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 59.5 t -106.07 116.52 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 70.140000000000001 111.139 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 19' ' ' PHE . . . . . 0.529 ' HE1' HD12 ' H' ' 17' ' ' LEU . 4.5 m-30 -100.91 98.55 9.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 73.450000000000003 110.874 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 20' ' ' PHE . . . . . 0.521 ' C ' ' O ' ' H' ' 19' ' ' PHE . 10.4 p90 27.29 78.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 53.130000000000003 110.868 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.77 150.03 26.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 60.539999999999999 111.047 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 24.6 t0 64.01 67.21 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 73.409999999999997 110.884 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 24' ' ' VAL . . . . . 0.822 HG23 HG13 ' G' ' 24' ' ' VAL . 3.3 p -110.19 142.5 22.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 75.120000000000005 111.113 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.62 -47.49 84.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.732 . . . . 63.450000000000003 112.466 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 26' ' ' SER . . . . . 0.401 ' H ' HG22 ' H' ' 24' ' ' VAL . 10.9 m -160.23 126.94 4.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.935 0.398 . . . . 63.43 110.818 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 27' ' ' ASN . . . . . 0.408 ' OD1' HG11 ' H' ' 24' ' ' VAL . 21.7 m-20 -99.77 101.14 12.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 73.109999999999999 110.888 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.51 153.34 28.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 74.219999999999999 110.913 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.62 -133.19 23.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 51.100000000000001 112.509 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 30' ' ' ALA . . . . . 0.637 ' HB2' ' CE1' ' C' ' 4' ' ' PHE . . . -106.42 113.84 27.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 74.040000000000006 111.041 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 31' ' ' ILE . . . . . 0.554 ' N ' HD13 ' H' ' 31' ' ' ILE . 0.0 OUTLIER -117.71 111.73 35.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 72.209999999999994 111.147 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' H' H ' 32' ' ' ILE . . . . . 0.462 HG21 ' HG3' ' H' ' 35' ' ' MET . 3.5 mt -127.1 123.21 61.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 70.409999999999997 111.123 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.19 -49.97 69.65 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 61.439999999999998 112.515 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 34' ' ' LEU . . . . . 0.922 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -155.54 145.71 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 72.439999999999998 110.95 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' H' H ' 35' ' ' MET . . . . . 0.462 ' HG3' HG21 ' H' ' 32' ' ' ILE . 5.0 mtp -128.98 122.91 31.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 61.530000000000001 110.921 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 36' ' ' VAL . . . . . 0.838 HG11 HG21 ' C' ' 36' ' ' VAL . 99.5 t -136.69 112.34 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 70.049999999999997 111.163 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.66 19.59 67.26 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 73.010000000000005 112.493 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.41 -171.58 33.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 64.329999999999998 112.448 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' H' H ' 39' ' ' VAL . . . . . 0.908 HG13 HG23 ' I' ' 39' ' ' VAL . 14.7 p -168.07 149.71 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.368 . . . . 71.329999999999998 111.123 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' H' H ' 40' ' ' VAL . . . . . 0.471 ' HA ' HG22 ' I' ' 40' ' ' VAL . 36.0 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 62.210000000000001 111.135 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.838 0.352 . . . . 75.329999999999998 110.846 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.81 102.52 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 54.25 111.108 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.78 -33.87 76.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 60.340000000000003 110.919 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 4' ' ' PHE . . . . . 0.664 ' CE1' ' HB2' ' D' ' 30' ' ' ALA . 6.8 m-85 -148.55 111.85 4.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 73.109999999999999 110.881 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -130.39 108.09 9.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 75.530000000000001 110.88 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 6' ' ' HIS . . . . . 0.422 ' CE1' ' HB2' ' I' ' 8' ' ' SER . 49.3 t-80 -117.28 108.66 15.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 73.209999999999994 110.842 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -110.39 102.26 10.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 73.239999999999995 110.859 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 8' ' ' SER . . . . . 0.422 ' HB2' ' CE1' ' I' ' 6' ' ' HIS . 45.0 m -146.31 174.36 11.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 43.240000000000002 110.844 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.47 -6.46 41.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.775 -0.726 . . . . 53.25 112.496 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.28 116.57 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 73.329999999999998 110.892 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.89 121.37 35.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 74.340000000000003 110.854 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 98.1 t -131.65 113.91 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 73.299999999999997 111.145 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 46.9 m170 -126.3 132.42 51.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 74.230000000000004 110.858 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -135.08 123.81 23.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 64.329999999999998 110.845 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -130.93 131.64 44.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 73.310000000000002 110.935 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 16' ' ' LYS . . . . . 0.484 ' O ' HD22 ' I' ' 17' ' ' LEU . 11.1 tttp -126.26 121.07 31.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 70.109999999999999 110.884 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 17' ' ' LEU . . . . . 0.544 HD13 ' HB2' ' H' ' 17' ' ' LEU . 4.1 mm? -124.91 100.3 6.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 71.030000000000001 110.924 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 59.5 t -106.23 118.06 53.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 74.209999999999994 111.098 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 19' ' ' PHE . . . . . 0.525 ' O ' ' C ' ' I' ' 20' ' ' PHE . 3.9 m-30 -100.54 97.48 8.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 74.439999999999998 110.883 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 20' ' ' PHE . . . . . 0.525 ' C ' ' O ' ' I' ' 19' ' ' PHE . 9.9 p90 27.1 77.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 72.340000000000003 110.844 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.13 149.6 26.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 63.030000000000001 111.102 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 25.4 t0 64.08 67.61 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 74.239999999999995 110.845 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 24' ' ' VAL . . . . . 0.797 HG13 HG23 ' J' ' 24' ' ' VAL . 3.3 p -110.54 142.27 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 74.420000000000002 111.094 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.2 -46.96 91.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 62.329999999999998 112.521 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 26' ' ' SER . . . . . 0.409 ' H ' HG22 ' I' ' 24' ' ' VAL . 10.2 m -160.45 125.96 3.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 70.109999999999999 110.876 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 27' ' ' ASN . . . . . 0.402 ' CG ' HG11 ' I' ' 24' ' ' VAL . 24.7 m-20 -100.11 102.08 13.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 62.219999999999999 110.854 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.23 153.72 27.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 72.420000000000002 110.943 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.76 -133.92 23.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 73.310000000000002 112.509 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 30' ' ' ALA . . . . . 0.658 ' HB2' ' CE1' ' D' ' 4' ' ' PHE . . . -105.62 113.51 27.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 60.299999999999997 111.071 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 31' ' ' ILE . . . . . 0.551 ' N ' HD13 ' I' ' 31' ' ' ILE . 0.0 OUTLIER -116.87 112.34 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 71.400000000000006 111.107 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' I' I ' 32' ' ' ILE . . . . . 0.461 HG21 ' HG3' ' I' ' 35' ' ' MET . 3.4 mt -127.14 124.23 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 75.040000000000006 111.16 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.84 -51.96 51.81 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.699 -0.762 . . . . 44.340000000000003 112.492 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 34' ' ' LEU . . . . . 0.885 HD22 ' O ' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -153.18 144.84 23.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.86 0.362 . . . . 70.349999999999994 110.925 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' I' I ' 35' ' ' MET . . . . . 0.461 ' HG3' HG21 ' I' ' 32' ' ' ILE . 5.0 mtp -128.85 122.38 30.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 70.010000000000005 110.887 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 36' ' ' VAL . . . . . 0.867 HG21 HG11 ' D' ' 36' ' ' VAL . 96.6 t -137.01 111.37 9.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 61.299999999999997 111.147 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.85 20.38 66.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 42.240000000000002 112.491 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.99 -171.0 33.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.737 . . . . 62.119999999999997 112.465 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' I' I ' 39' ' ' VAL . . . . . 0.908 HG23 HG13 ' H' ' 39' ' ' VAL . 14.2 p -167.27 150.62 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 42.009999999999998 111.142 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' I' I ' 40' ' ' VAL . . . . . 0.471 HG22 ' HA ' ' H' ' 40' ' ' VAL . 35.9 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 73.420000000000002 111.104 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.83 0.348 . . . . 64.129999999999995 110.883 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.03 102.23 6.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 73.540000000000006 111.105 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -65.38 -34.02 77.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 73.530000000000001 110.858 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' J' J ' 4' ' ' PHE . . . . . 0.638 ' CZ ' ' HB2' ' E' ' 30' ' ' ALA . 6.4 m-85 -148.52 113.73 5.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 64.5 110.877 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -130.35 107.08 8.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 74.319999999999993 110.894 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -118.55 108.68 15.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 70.120000000000005 110.886 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -108.55 101.82 10.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 72.209999999999994 110.872 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 45.4 m -148.14 169.63 19.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 64.099999999999994 110.876 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.26 -5.98 45.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.704 -0.76 . . . . 51.299999999999997 112.44 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -171.88 115.21 0.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 65.420000000000002 110.959 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.33 123.13 37.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 61.200000000000003 110.874 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 91.3 t -130.07 115.03 31.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 71.140000000000001 111.106 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -125.79 133.42 52.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 73.329999999999998 110.867 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -134.29 124.25 25.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 74.109999999999999 110.86 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -132.54 132.66 42.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 73.200000000000003 110.925 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' J' J ' 16' ' ' LYS . . . . . 0.555 ' O ' HD22 ' J' ' 17' ' ' LEU . 10.7 tttp -126.76 121.1 31.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 72.120000000000005 110.942 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' J' J ' 17' ' ' LEU . . . . . 0.555 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.0 mm? -127.72 100.25 5.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 74.450000000000003 110.903 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 59.5 t -104.9 119.62 54.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 70.129999999999995 111.133 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' J' J ' 19' ' ' PHE . . . . . 0.511 ' HE1' HD12 ' J' ' 17' ' ' LEU . 3.5 m-30 -102.54 96.4 6.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 75.549999999999997 110.864 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' J' J ' 20' ' ' PHE . . . . . 0.509 ' C ' ' O ' ' J' ' 19' ' ' PHE . 12.2 p90 28.98 74.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 61.130000000000003 110.899 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.52 146.75 28.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 51.210000000000001 111.101 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 24.4 t0 62.72 68.95 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 72.129999999999995 110.886 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' J' J ' 24' ' ' VAL . . . . . 0.797 HG23 HG13 ' I' ' 24' ' ' VAL . 3.9 p -110.32 141.2 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 61.210000000000001 111.1 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.91 -47.07 91.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 52.299999999999997 112.484 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 11.0 m -160.39 125.14 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.362 . . . . 52.409999999999997 110.847 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' J' J ' 27' ' ' ASN . . . . . 0.402 ' CG ' HG11 ' J' ' 24' ' ' VAL . 24.1 m-20 -100.29 102.49 13.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 72.409999999999997 110.937 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.58 152.88 29.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 65.230000000000004 110.871 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' J' J ' 29' ' ' GLY . . . . . 0.422 ' HA2' ' HA ' ' E' ' 3' ' ' GLU . . . 71.78 -135.54 23.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 71.439999999999998 112.491 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' J' J ' 30' ' ' ALA . . . . . 0.61 ' HB2' ' CE1' ' E' ' 4' ' ' PHE . . . -102.9 113.44 26.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.787 0.327 . . . . 65.430000000000007 111.098 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' J' J ' 31' ' ' ILE . . . . . 0.481 ' N ' HD13 ' J' ' 31' ' ' ILE . 0.0 OUTLIER -115.32 113.94 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 74.209999999999994 111.107 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' J' J ' 32' ' ' ILE . . . . . 0.547 HG21 ' HG3' ' J' ' 35' ' ' MET . 3.4 mt -128.67 121.0 53.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 72.349999999999994 111.108 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.03 -48.76 81.2 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 61.310000000000002 112.44 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' J' J ' 34' ' ' LEU . . . . . 0.847 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -152.92 147.8 26.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.828 0.347 . . . . 72.310000000000002 110.899 -179.9 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' J' J ' 35' ' ' MET . . . . . 0.547 ' HG3' HG21 ' J' ' 32' ' ' ILE . 5.0 mtp -133.6 120.27 20.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 51.439999999999998 110.873 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' J' J ' 36' ' ' VAL . . . . . 0.724 HG21 HG11 ' E' ' 36' ' ' VAL . 94.8 t -138.08 111.63 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 74.230000000000004 111.117 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.81 20.84 62.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 70.310000000000002 112.464 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.93 -171.31 35.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.723 -0.751 . . . . 72.25 112.509 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' J' J ' 39' ' ' VAL . . . . . 0.83 HG23 HG13 ' I' ' 39' ' ' VAL . 14.6 p -167.1 149.66 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 73.439999999999998 111.094 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' J' J ' 40' ' ' VAL . . . . . 0.459 HG22 ' HA ' ' I' ' 40' ' ' VAL . 31.2 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 73.120000000000005 111.145 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.824 0.345 . . . . 75.439999999999998 110.875 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.03 77.35 3.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 73.409999999999997 111.076 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.404 ' CB ' ' HA2' ' F' ' 29' ' ' GLY . 0.2 OUTLIER -51.87 -43.18 63.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 72.219999999999999 110.866 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.415 ' CE1' ' HB3' ' F' ' 30' ' ' ALA . 0.3 OUTLIER -168.76 116.51 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 72.230000000000004 110.904 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -111.45 108.48 18.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 75.430000000000007 110.853 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -98.1 109.34 22.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 73.230000000000004 110.85 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -118.08 101.44 8.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 65.319999999999993 110.871 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.8 m -149.46 175.93 11.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 72.530000000000001 110.812 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.57 -9.2 33.69 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.777 -0.725 . . . . 63.350000000000001 112.502 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.34 114.75 0.31 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.887 0.375 . . . . 72.420000000000002 110.965 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -107.0 119.84 40.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 74.430000000000007 110.904 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.0 t -126.13 113.27 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 75.329999999999998 111.175 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -115.12 114.51 25.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 74.319999999999993 110.84 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -130.41 126.01 35.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 72.340000000000003 110.847 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.418 ' OE1' HG12 ' F' ' 39' ' ' VAL . 19.1 pt20 -123.92 134.2 53.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 64.510000000000005 110.922 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.437 ' O ' HD22 ' A' ' 17' ' ' LEU . 6.7 tptm -124.87 121.77 35.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 52.140000000000001 110.872 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.657 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.5 mm? -122.91 102.06 7.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 55.210000000000001 110.885 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.504 HG12 ' HB2' ' A' ' 21' ' ' ALA . 66.4 t -111.77 117.03 54.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 63.450000000000003 111.161 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.608 ' CE2' HD23 ' B' ' 34' ' ' LEU . 4.6 m-85 -113.69 137.74 51.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 60.229999999999997 110.899 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.455 ' HZ ' HG22 ' A' ' 31' ' ' ILE . 1.7 m-85 63.25 53.81 2.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 74.349999999999994 110.882 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.504 ' HB2' HG12 ' A' ' 18' ' ' VAL . . . -93.15 108.87 20.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 31.32 111.079 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 53.1 t0 63.57 103.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 75.439999999999998 110.891 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.658 HG11 ' ND2' ' A' ' 27' ' ' ASN . 21.3 t -131.39 133.75 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 72.219999999999999 111.159 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.2 -40.55 81.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 63.329999999999998 112.491 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.75 125.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.856 0.36 . . . . 55.229999999999997 110.887 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.658 ' ND2' HG11 ' A' ' 24' ' ' VAL . 28.0 m120 -102.77 111.01 23.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 62.32 110.874 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -113.42 165.01 12.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 74.239999999999995 110.903 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.94 -133.74 27.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 71.409999999999997 112.503 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.677 ' O ' HD13 ' A' ' 31' ' ' ILE . . . -97.16 117.39 31.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.702 0.286 . . . . 75.530000000000001 111.129 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.677 HD13 ' O ' ' A' ' 30' ' ' ALA . 25.7 mm -129.68 131.73 66.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 51.030000000000001 111.117 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.611 HG21 ' HB2' ' A' ' 35' ' ' MET . 2.9 mp -125.89 112.46 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.129999999999995 111.133 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.65 -17.83 79.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 64.329999999999998 112.448 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.723 HD12 HD22 ' B' ' 34' ' ' LEU . 3.0 tm? -171.73 109.65 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.822 0.344 . . . . 65.420000000000002 110.914 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.611 ' HB2' HG21 ' A' ' 32' ' ' ILE . 2.4 ttp -117.29 125.18 50.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 71.349999999999994 110.844 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.46 HG23 ' CD1' ' A' ' 34' ' ' LEU . 58.0 t -122.46 112.64 35.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 75.420000000000002 111.143 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.74 30.63 44.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.756 . . . . 51.240000000000002 112.477 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.15 -178.91 21.39 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 72.329999999999998 112.506 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.877 HG13 HG23 ' B' ' 39' ' ' VAL . 5.9 p -157.88 140.01 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.372 . . . . 64.129999999999995 111.154 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.594 HG12 HG22 ' B' ' 40' ' ' VAL . 19.1 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 63.509999999999998 111.17 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.861 0.362 . . . . 64.540000000000006 110.824 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.86 80.05 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 65.219999999999999 111.089 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.63 -37.15 26.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 60.240000000000002 110.87 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.42 ' CE1' ' HB3' ' G' ' 30' ' ' ALA . 0.3 OUTLIER -168.59 116.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 60.32 110.887 -179.878 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -112.04 108.36 17.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 71.329999999999998 110.853 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -97.75 109.51 22.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 62.420000000000002 110.873 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -117.25 101.1 8.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 61.240000000000002 110.851 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -148.65 175.6 11.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 64.409999999999997 110.848 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.2 -9.62 33.61 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.693 -0.765 . . . . 74.219999999999999 112.465 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.51 114.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 74.329999999999998 110.862 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -106.75 119.52 39.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 72.319999999999993 110.916 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -125.25 113.31 34.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 62.149999999999999 111.164 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 54.8 m170 -115.58 115.68 26.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 63.229999999999997 110.827 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -131.09 127.61 38.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 65.140000000000001 110.912 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.422 ' OE1' HG12 ' G' ' 39' ' ' VAL . 19.6 pt20 -125.06 134.06 52.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 62.240000000000002 110.921 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.527 ' O ' HD22 ' B' ' 17' ' ' LEU . 6.7 tptm -124.29 122.65 38.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 75.530000000000001 110.928 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.657 HD13 ' HB2' ' A' ' 17' ' ' LEU . 4.5 mm? -125.34 101.68 7.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 74.409999999999997 110.927 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.518 HG12 ' HB2' ' B' ' 21' ' ' ALA . 60.9 t -110.58 118.1 56.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 60.350000000000001 111.126 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.659 ' CE2' HD23 ' C' ' 34' ' ' LEU . 3.7 m-85 -113.52 134.01 54.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 71.340000000000003 110.863 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.504 ' HZ ' HG22 ' B' ' 31' ' ' ILE . 2.9 m-85 62.39 57.44 1.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 63.450000000000003 110.901 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.518 ' HB2' HG12 ' B' ' 18' ' ' VAL . . . -94.27 107.62 19.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 74.140000000000001 111.076 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 52.8 t0 62.84 104.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 52.219999999999999 110.898 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.615 HG11 ' ND2' ' B' ' 27' ' ' ASN . 21.2 t -130.83 134.01 62.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 72.310000000000002 111.09 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.59 -41.75 83.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.738 -0.744 . . . . 75.230000000000004 112.484 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.58 122.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 75.209999999999994 110.87 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.615 ' ND2' HG11 ' B' ' 24' ' ' VAL . 26.7 m120 -102.15 112.04 24.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 53.520000000000003 110.924 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -112.31 165.57 12.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 73.540000000000006 110.913 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.95 -133.08 28.04 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 34.43 112.473 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.728 ' O ' HD13 ' B' ' 31' ' ' ILE . . . -97.19 119.11 35.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.745 0.307 . . . . 52.130000000000003 111.093 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.728 HD13 ' O ' ' B' ' 30' ' ' ALA . 25.9 mm -130.71 129.95 64.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 74.109999999999999 111.129 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.611 HG21 ' HB2' ' B' ' 35' ' ' MET . 2.9 mp -124.7 113.22 35.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 75.129999999999995 111.118 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.8 -15.23 78.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.73 -0.748 . . . . 45.32 112.522 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.87 HD12 HD22 ' C' ' 34' ' ' LEU . 3.2 tm? -171.28 108.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 73.140000000000001 110.877 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.611 ' HB2' HG21 ' B' ' 32' ' ' ILE . 2.5 ttp -118.04 123.9 46.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 75.450000000000003 110.846 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.434 HG23 ' CD1' ' B' ' 34' ' ' LEU . 63.3 t -122.52 112.96 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 60.109999999999999 111.112 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.21 31.75 34.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 54.210000000000001 112.479 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.97 -178.79 21.49 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 35.100000000000001 112.499 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.885 HG13 HG23 ' C' ' 39' ' ' VAL . 5.1 p -157.4 138.86 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.953 0.406 . . . . 74.25 111.058 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.594 HG22 HG12 ' A' ' 40' ' ' VAL . 19.3 m . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 60.340000000000003 111.129 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.836 0.35 . . . . 64.540000000000006 110.836 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.23 78.92 3.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 51.229999999999997 111.118 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.52 -35.88 31.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 65.530000000000001 110.841 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -169.42 116.59 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 73.25 110.894 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -112.19 107.41 16.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 73.150000000000006 110.869 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -96.48 109.36 21.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 73.239999999999995 110.802 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -118.56 100.44 7.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 71.150000000000006 110.879 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -148.4 175.64 10.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 71.519999999999996 110.895 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.77 -9.96 33.88 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.706 -0.759 . . . . 32.520000000000003 112.477 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . 0.402 ' CE1' HG22 ' C' ' 12' ' ' VAL . 1.0 OUTLIER -172.49 115.0 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 65.340000000000003 110.925 -179.83 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -107.29 119.67 40.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 74.349999999999994 110.912 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.402 HG22 ' CE1' ' C' ' 10' ' ' TYR . 21.3 t -124.93 113.46 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.109999999999999 111.167 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -115.87 114.81 25.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 64.120000000000005 110.873 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -129.8 128.22 41.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 75.219999999999999 110.847 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . 0.507 ' OE1' HG12 ' H' ' 39' ' ' VAL . 19.4 pt20 -126.35 133.78 51.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 63.439999999999998 110.96 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.591 ' O ' HD22 ' C' ' 17' ' ' LEU . 6.4 tptm -123.71 124.06 41.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 62.340000000000003 110.875 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.639 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.5 mm? -127.52 102.39 6.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 73.310000000000002 110.921 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.555 ' CG1' ' HB2' ' C' ' 21' ' ' ALA . 58.0 t -111.04 119.63 60.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 73.319999999999993 111.122 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.682 ' CE2' HD23 ' D' ' 34' ' ' LEU . 3.0 m-85 -112.78 132.82 55.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 65.510000000000005 110.854 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.492 ' CZ ' HG22 ' C' ' 31' ' ' ILE . 3.5 m-85 60.87 59.48 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 53.020000000000003 110.907 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 0.555 ' HB2' ' CG1' ' C' ' 18' ' ' VAL . . . -94.95 107.45 19.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 62.409999999999997 111.082 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 52.0 t0 62.15 102.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 64.329999999999998 110.907 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.588 HG11 ' ND2' ' C' ' 27' ' ' ASN . 21.5 t -129.5 133.97 64.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 63.450000000000003 111.099 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.99 -42.05 86.09 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.768 -0.73 . . . . 75.430000000000007 112.493 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.54 122.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 44.240000000000002 110.871 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.588 ' ND2' HG11 ' C' ' 24' ' ' VAL . 25.9 m120 -102.33 112.71 25.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 72.540000000000006 110.904 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.401 ' O ' HD11 ' C' ' 31' ' ' ILE . 1.1 tptp -112.58 165.66 12.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 55.109999999999999 110.904 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.86 -133.56 27.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.714 -0.755 . . . . 64.230000000000004 112.493 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.728 ' O ' HD13 ' C' ' 31' ' ' ILE . . . -96.94 118.91 34.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.756 0.312 . . . . 44.210000000000001 111.089 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.728 HD13 ' O ' ' C' ' 30' ' ' ALA . 25.9 mm -130.45 128.82 64.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 64.310000000000002 111.104 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.59 HG21 ' HB2' ' C' ' 35' ' ' MET . 3.0 mp -123.92 112.12 31.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 74.519999999999996 111.172 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -82.71 -13.24 78.51 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 54.020000000000003 112.518 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.941 HD12 HD22 ' D' ' 34' ' ' LEU . 3.3 tm? -169.76 107.47 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.801 0.334 . . . . 71.319999999999993 110.89 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.59 ' HB2' HG21 ' C' ' 32' ' ' ILE . 2.5 ttp -118.66 123.26 44.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 72.319999999999993 110.851 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.403 HG23 ' CD1' ' C' ' 34' ' ' LEU . 68.3 t -123.58 111.93 31.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 62.350000000000001 111.161 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.74 31.69 31.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.759 -0.734 . . . . 72.340000000000003 112.48 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.4 -178.84 21.85 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 71.510000000000005 112.489 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.912 HG13 HG23 ' D' ' 39' ' ' VAL . 4.4 p -156.89 139.01 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.877 0.37 . . . . 53.43 111.107 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.547 HG22 HG12 ' B' ' 40' ' ' VAL . 19.0 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 71.430000000000007 111.128 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.819 0.343 . . . . 74.319999999999993 110.865 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.02 81.08 3.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 73.109999999999999 111.113 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.24 -37.27 34.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 73.450000000000003 110.892 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -169.43 116.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 45.420000000000002 110.866 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -111.33 107.55 16.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 43.130000000000003 110.866 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -96.26 108.85 21.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 44.009999999999998 110.825 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -118.17 100.45 7.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 75.239999999999995 110.846 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -147.64 175.31 10.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 74.129999999999995 110.866 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.76 -10.42 35.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 45.119999999999997 112.505 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.56 114.69 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 65.420000000000002 110.97 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -107.16 120.03 41.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 74.420000000000002 110.838 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.74 113.44 36.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 73.319999999999993 111.133 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 53.7 m170 -115.98 114.93 25.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 72.409999999999997 110.876 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -130.1 129.52 43.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 75.519999999999996 110.874 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . 0.562 ' OE1' HG12 ' I' ' 39' ' ' VAL . 19.2 pt20 -127.4 134.66 49.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 74.120000000000005 110.917 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . 0.65 ' O ' HD22 ' D' ' 17' ' ' LEU . 6.6 tptm -123.77 123.21 39.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 71.120000000000005 110.915 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.65 HD22 ' O ' ' D' ' 16' ' ' LYS . 4.5 mm? -128.84 102.88 6.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 74.140000000000001 110.913 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.568 ' CG1' ' HB2' ' D' ' 21' ' ' ALA . 57.3 t -112.21 121.81 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 71.519999999999996 111.149 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.642 ' CE2' HD23 ' E' ' 34' ' ' LEU . 2.2 m-85 -112.06 132.16 55.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 74.230000000000004 110.909 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.455 ' CZ ' HG22 ' D' ' 31' ' ' ILE . 4.0 m-85 59.75 60.86 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 54.119999999999997 110.904 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . 0.568 ' HB2' ' CG1' ' D' ' 18' ' ' VAL . . . -95.54 107.3 19.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 72.340000000000003 111.113 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 51.6 t0 61.73 102.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 73.120000000000005 110.869 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.62 HG11 ' ND2' ' D' ' 27' ' ' ASN . 21.9 t -129.68 134.66 62.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 52.109999999999999 111.167 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.3 -42.78 90.02 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 71.109999999999999 112.512 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.81 121.96 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.916 0.389 . . . . 62.520000000000003 110.834 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.62 ' ND2' HG11 ' D' ' 24' ' ' VAL . 27.0 m120 -101.72 112.85 25.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 52.020000000000003 110.878 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.66 165.54 12.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 52.329999999999998 110.924 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.33 -132.72 29.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 60.539999999999999 112.447 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.737 ' O ' HD13 ' D' ' 31' ' ' ILE . . . -97.93 118.42 34.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 65.409999999999997 111.048 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.737 HD13 ' O ' ' D' ' 30' ' ' ALA . 25.2 mm -130.63 128.41 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 65.140000000000001 111.142 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.557 HG21 ' HB2' ' D' ' 35' ' ' MET . 3.0 mp -124.1 112.08 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 63.450000000000003 111.127 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.52 -11.84 76.75 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 64.209999999999994 112.506 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.941 HD22 HD12 ' C' ' 34' ' ' LEU . 3.4 tm? -168.06 106.8 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 64.140000000000001 110.919 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.557 ' HB2' HG21 ' D' ' 32' ' ' ILE . 2.5 ttp -120.02 122.65 41.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 72.310000000000002 110.898 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 67.8 t -124.78 111.65 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 72.450000000000003 111.14 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.92 31.47 32.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 52.450000000000003 112.433 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.63 -178.23 21.74 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 60.229999999999997 112.481 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.912 HG23 HG13 ' C' ' 39' ' ' VAL . 4.5 p -157.21 139.57 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 61.420000000000002 111.168 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.523 HG22 HG12 ' C' ' 40' ' ' VAL . 19.2 m . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 63.130000000000003 111.145 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.84 0.352 . . . . 44.119999999999997 110.866 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.48 80.13 3.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 42.039999999999999 111.118 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.16 -39.29 56.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 73.109999999999999 110.863 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -168.67 117.65 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 72.219999999999999 110.867 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -110.85 107.83 17.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 75.430000000000007 110.887 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -94.52 109.12 21.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 65.420000000000002 110.832 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -118.02 99.83 7.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 73.25 110.859 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -149.08 173.58 13.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 55.210000000000001 110.9 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.67 -9.29 38.27 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 75.120000000000005 112.482 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.23 113.37 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.83 0.348 . . . . 54.039999999999999 110.934 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -107.81 120.36 42.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 75.150000000000006 110.886 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.7 114.28 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 61.140000000000001 111.145 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 57.4 m170 -116.18 114.07 23.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 62.32 110.85 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -129.12 131.33 47.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 73.329999999999998 110.835 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . 0.508 ' OE1' HG12 ' J' ' 39' ' ' VAL . 19.6 pt20 -129.54 136.22 49.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 74.340000000000003 110.899 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . 0.664 ' O ' HD22 ' E' ' 17' ' ' LEU . 6.8 tptm -123.99 122.76 38.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 61.130000000000003 110.952 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.664 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.4 mm? -129.46 102.17 6.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 73.129999999999995 110.921 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.696 ' CG1' ' HB2' ' E' ' 21' ' ' ALA . 59.0 t -110.42 122.5 65.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 61.530000000000001 111.143 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.444 ' HE1' HD12 ' E' ' 17' ' ' LEU . 2.1 m-85 -111.45 129.85 55.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 65.409999999999997 110.903 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 58.77 60.53 2.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 64.439999999999998 110.832 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . 0.696 ' HB2' ' CG1' ' E' ' 18' ' ' VAL . . . -94.93 107.5 19.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 73.25 111.1 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 52.4 t0 61.52 104.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 71.319999999999993 110.851 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.619 HG11 ' ND2' ' E' ' 27' ' ' ASN . 22.0 t -130.84 134.2 62.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 64.209999999999994 111.129 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.16 -43.02 90.91 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.733 -0.746 . . . . 72.409999999999997 112.516 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.99 121.74 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.37 . . . . 71.430000000000007 110.832 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.619 ' ND2' HG11 ' E' ' 24' ' ' VAL . 26.9 m120 -101.54 114.28 28.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 75.549999999999997 110.873 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -113.51 164.32 13.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 73.450000000000003 110.92 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.04 -131.75 28.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 75.129999999999995 112.49 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.732 ' O ' HD13 ' E' ' 31' ' ' ILE . . . -97.86 118.4 34.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.746 0.308 . . . . 60.539999999999999 111.094 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.732 HD13 ' O ' ' E' ' 30' ' ' ALA . 27.6 mm -130.88 127.04 60.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 64.219999999999999 111.146 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.489 HG21 ' HB2' ' E' ' 35' ' ' MET . 3.1 mp -125.07 111.96 29.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 64.409999999999997 111.166 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.31 -10.21 71.48 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.718 -0.753 . . . . 74.209999999999994 112.477 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.909 HD22 HD12 ' D' ' 34' ' ' LEU . 3.4 tm? -164.82 105.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 74.140000000000001 110.883 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.489 ' HB2' HG21 ' E' ' 32' ' ' ILE . 2.4 ttp -122.33 123.11 40.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 74.239999999999995 110.904 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 72.4 t -127.35 111.31 24.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 53.219999999999999 111.161 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.52 30.96 35.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.765 -0.731 . . . . 53.119999999999997 112.47 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.24 -178.41 21.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 31.399999999999999 112.477 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.911 HG23 HG13 ' D' ' 39' ' ' VAL . 5.4 p -157.0 138.95 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 64.239999999999995 111.145 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.481 HG22 HG12 ' D' ' 40' ' ' VAL . 19.4 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 75.329999999999998 111.106 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.849 0.356 . . . . 54.450000000000003 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.64 72.06 7.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 64.450000000000003 111.043 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.83 -43.12 63.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 72.109999999999999 110.895 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -167.58 115.58 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.340000000000003 110.865 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -116.19 111.49 20.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 72.25 110.85 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 61.4 t60 -97.37 110.23 22.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 71.239999999999995 110.89 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -115.7 103.84 11.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 74.530000000000001 110.885 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -149.23 175.11 11.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 65.230000000000004 110.83 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.28 -10.42 31.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 52.130000000000003 112.446 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.32 114.49 0.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 61.240000000000002 110.926 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -107.28 120.08 41.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.498 . . . . 52.329999999999998 110.871 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 21.2 t -126.7 113.45 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 65.549999999999997 111.112 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -115.43 117.52 30.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 73.430000000000007 110.893 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -131.82 126.62 34.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 63.539999999999999 110.862 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -124.63 133.63 53.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 33.240000000000002 110.923 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . 0.453 ' O ' HD22 ' F' ' 17' ' ' LEU . 6.9 tptm -124.82 120.21 31.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 73.349999999999994 110.899 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.593 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.4 mm? -122.85 101.67 7.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 71.430000000000007 110.925 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.512 HG12 ' HB2' ' F' ' 21' ' ' ALA . 63.4 t -112.7 117.95 56.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 73.439999999999998 111.095 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.6 ' CE2' HD23 ' G' ' 34' ' ' LEU . 4.8 m-85 -112.34 138.69 48.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 52.240000000000002 110.895 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . 0.422 ' HZ ' HG22 ' F' ' 31' ' ' ILE . 1.6 m-85 63.05 52.57 2.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 72.530000000000001 110.837 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . 0.512 ' HB2' HG12 ' F' ' 18' ' ' VAL . . . -92.94 110.89 22.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 52.450000000000003 111.056 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 51.1 t0 63.18 102.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 75.140000000000001 110.896 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.6 HG11 ' ND2' ' F' ' 27' ' ' ASN . 31.0 t -131.34 130.67 63.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 54.43 111.111 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.39 -40.52 94.54 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 31.219999999999999 112.503 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.56 122.52 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.906 0.384 . . . . 64.120000000000005 110.856 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . 0.6 ' ND2' HG11 ' F' ' 24' ' ' VAL . 25.2 m120 -99.06 110.05 22.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 65.310000000000002 110.884 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . 0.417 ' O ' HD11 ' F' ' 31' ' ' ILE . 0.9 OUTLIER -112.87 163.92 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 63.240000000000002 110.871 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . 0.404 ' HA2' ' CB ' ' A' ' 3' ' ' GLU . . . 50.17 -139.69 19.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.681 -0.771 . . . . 53.32 112.523 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.681 ' O ' HD13 ' F' ' 31' ' ' ILE . . . -91.28 118.48 30.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.764 0.316 . . . . 72.439999999999998 111.07 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.681 HD13 ' O ' ' F' ' 30' ' ' ALA . 26.1 mm -130.53 136.06 59.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 75.319999999999993 111.154 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.623 HG21 ' HB2' ' F' ' 35' ' ' MET . 2.9 mp -126.59 112.75 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 75.409999999999997 111.082 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.35 -20.54 78.75 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 52.329999999999998 112.47 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.643 HD12 HD22 ' G' ' 34' ' ' LEU . 3.0 tm? -172.11 113.01 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 73.430000000000007 110.864 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . 0.623 ' HB2' HG21 ' F' ' 32' ' ' ILE . 2.8 ttp -119.1 123.82 45.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 65.450000000000003 110.897 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.545 HG23 ' CD1' ' F' ' 34' ' ' LEU . 58.1 t -122.18 114.2 41.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 73.540000000000006 111.155 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.06 30.23 37.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 60.310000000000002 112.461 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.74 -178.13 21.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 53.049999999999997 112.514 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.845 HG13 HG23 ' G' ' 39' ' ' VAL . 5.3 p -157.64 140.41 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.358 . . . . 75.25 111.113 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.445 HG12 HG22 ' G' ' 40' ' ' VAL . 18.8 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 71.430000000000007 111.104 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.789 0.328 . . . . 74.140000000000001 110.881 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.33 72.3 8.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 54.340000000000003 111.1 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.46 -40.41 50.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 60.32 110.897 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.29 115.1 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 73.439999999999998 110.909 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -116.53 110.85 19.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 75.409999999999997 110.848 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -95.94 109.33 21.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 74.109999999999999 110.835 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -115.31 102.11 9.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 71.129999999999995 110.877 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -147.85 174.63 11.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 60.420000000000002 110.864 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.74 -10.58 32.56 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.741 . . . . 60.43 112.481 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.5 114.4 0.29 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.852 0.358 . . . . 71.239999999999995 110.9 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -106.9 119.86 40.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 73.409999999999997 110.884 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -125.67 113.47 34.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 74.219999999999999 111.115 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 55.0 m170 -115.89 117.79 31.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 60.43 110.856 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -131.61 127.7 37.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 75.319999999999993 110.895 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . 0.46 ' OE1' HG12 ' B' ' 39' ' ' VAL . 19.2 pt20 -125.94 133.22 51.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 74.319999999999993 110.896 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . 0.561 ' O ' HD22 ' G' ' 17' ' ' LEU . 6.8 tptm -124.51 122.73 38.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 61.229999999999997 110.886 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.593 HD13 ' HB2' ' F' ' 17' ' ' LEU . 4.5 mm? -125.95 102.38 7.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 72.409999999999997 110.937 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.556 ' CG1' ' HB2' ' G' ' 21' ' ' ALA . 57.6 t -112.19 118.92 58.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 74.349999999999994 111.117 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.633 ' CE2' HD23 ' H' ' 34' ' ' LEU . 3.7 m-85 -112.78 134.02 54.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 72.120000000000005 110.87 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 0.454 ' HZ ' HG22 ' G' ' 31' ' ' ILE . 2.6 m-85 63.04 55.13 2.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 74.530000000000001 110.866 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . 0.556 ' HB2' ' CG1' ' G' ' 18' ' ' VAL . . . -92.59 108.45 19.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 75.230000000000004 111.057 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 52.5 t0 62.54 103.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 62.420000000000002 110.888 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.616 HG11 ' ND2' ' G' ' 27' ' ' ASN . 22.0 t -130.61 132.38 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 64.340000000000003 111.12 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.32 -41.79 94.39 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.724 . . . . 24.420000000000002 112.512 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.52 121.28 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.371 . . . . 44.119999999999997 110.849 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . 0.616 ' ND2' HG11 ' G' ' 24' ' ' VAL . 26.2 m120 -99.9 111.15 23.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 75.109999999999999 110.887 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . 0.415 ' O ' HD11 ' G' ' 31' ' ' ILE . 1.0 OUTLIER -111.86 164.33 13.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 73.530000000000001 110.91 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.43 -137.58 24.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 40.310000000000002 112.505 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.74 ' O ' HD13 ' G' ' 31' ' ' ILE . . . -93.32 120.39 33.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.79 0.328 . . . . 64.519999999999996 111.096 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.74 HD13 ' O ' ' G' ' 30' ' ' ALA . 25.4 mm -131.76 134.39 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 75.329999999999998 111.149 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.614 HG21 ' HB2' ' G' ' 35' ' ' MET . 2.8 mp -124.28 112.67 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 74.310000000000002 111.158 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.22 -18.92 73.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.698 -0.763 . . . . 63.229999999999997 112.536 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.865 HD12 HD22 ' H' ' 34' ' ' LEU . 3.3 tm? -171.19 112.25 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 73.510000000000005 110.905 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.614 ' HB2' HG21 ' G' ' 32' ' ' ILE . 2.5 ttp -119.89 123.33 43.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 74.510000000000005 110.832 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.506 HG23 ' CD1' ' G' ' 34' ' ' LEU . 64.2 t -122.83 113.54 38.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 41.119999999999997 111.102 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.72 30.75 29.07 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 40.140000000000001 112.476 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.94 -178.28 21.54 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 61.149999999999999 112.487 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.904 HG13 HG23 ' H' ' 39' ' ' VAL . 4.3 p -157.1 140.36 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.857 0.361 . . . . 75.140000000000001 111.151 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.471 HG12 HG22 ' H' ' 40' ' ' VAL . 18.3 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.209999999999994 111.168 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 1' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' I' ' 2' ' ' ALA . 41.2 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.81 0.338 . . . . 72.209999999999994 110.864 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.81 71.62 9.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 63.420000000000002 111.134 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.51 -41.22 53.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 75.239999999999995 110.887 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.59 114.88 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 63.509999999999998 110.887 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -116.53 110.42 18.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 74.340000000000003 110.842 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -94.7 109.5 21.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 74.340000000000003 110.853 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -116.12 101.82 9.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 64.420000000000002 110.852 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -147.2 174.84 11.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 71.510000000000005 110.851 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.06 -10.18 32.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 60.340000000000003 112.489 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.36 113.8 0.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 74.310000000000002 110.959 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -106.98 119.84 40.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 65.530000000000001 110.909 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.03 113.56 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 73.219999999999999 111.139 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -116.15 116.74 28.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 73.239999999999995 110.856 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -130.77 127.85 39.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 71.239999999999995 110.845 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . 0.612 ' OE1' HG12 ' C' ' 39' ' ' VAL . 19.4 pt20 -127.15 133.05 50.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 75.409999999999997 110.912 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . 0.617 ' O ' HD22 ' H' ' 17' ' ' LEU . 6.7 tptm -123.91 123.69 40.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 71.420000000000002 110.935 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.617 HD22 ' O ' ' H' ' 16' ' ' LYS . 4.5 mm? -127.53 103.21 7.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 75.439999999999998 110.914 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.607 ' CG1' ' HB2' ' H' ' 21' ' ' ALA . 57.6 t -112.99 121.33 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 71.439999999999998 111.148 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.677 ' CE2' HD23 ' I' ' 34' ' ' LEU . 3.0 m-85 -112.91 132.81 55.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 75.209999999999994 110.882 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . 0.461 ' HZ ' HG22 ' H' ' 31' ' ' ILE . 3.6 m-85 61.61 56.58 2.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 72.450000000000003 110.888 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . 0.607 ' HB2' ' CG1' ' H' ' 18' ' ' VAL . . . -93.02 107.97 19.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 75.510000000000005 111.119 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 52.0 t0 62.1 103.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 61.210000000000001 110.887 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.625 HG11 ' ND2' ' H' ' 27' ' ' ASN . 22.7 t -130.38 133.17 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 51.539999999999999 111.129 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.18 -41.94 96.66 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 71.430000000000007 112.504 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.65 121.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.91 0.385 . . . . 61.219999999999999 110.872 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . 0.625 ' ND2' HG11 ' H' ' 24' ' ' VAL . 27.0 m120 -99.94 111.13 23.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 75.230000000000004 110.898 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . 0.415 ' O ' HD11 ' H' ' 31' ' ' ILE . 1.0 OUTLIER -111.82 164.05 13.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 64.129999999999995 110.897 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.97 -138.06 26.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 63.109999999999999 112.447 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . 0.736 ' O ' HD13 ' H' ' 31' ' ' ILE . . . -92.85 119.65 32.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 71.25 111.063 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.736 HD13 ' O ' ' H' ' 30' ' ' ALA . 25.8 mm -131.53 133.33 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 54.109999999999999 111.098 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . 0.599 HG21 ' HB2' ' H' ' 35' ' ' MET . 2.8 mp -123.04 111.94 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 71.549999999999997 111.105 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.75 -16.1 73.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 61.149999999999999 112.483 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.953 HD12 HD22 ' I' ' 34' ' ' LEU . 3.3 tm? -170.74 110.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.832 0.349 . . . . 40.130000000000003 110.897 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . 0.599 ' HB2' HG21 ' H' ' 32' ' ' ILE . 2.5 ttp -119.86 122.93 42.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 72.230000000000004 110.856 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.461 HG23 ' CD1' ' H' ' 34' ' ' LEU . 66.1 t -124.13 112.39 32.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 65.209999999999994 111.134 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.45 30.13 25.51 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.753 -0.737 . . . . 53.219999999999999 112.476 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.54 -178.09 22.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.75 . . . . 71.120000000000005 112.499 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.914 HG13 HG23 ' I' ' 39' ' ' VAL . 4.1 p -157.4 139.17 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.367 . . . . 74.140000000000001 111.135 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . 0.566 HG12 HG22 ' I' ' 40' ' ' VAL . 18.8 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 71.420000000000002 111.112 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.85 0.357 . . . . 61.130000000000003 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' I' I ' 2' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' H' ' 1' ' ' ASP . . . -90.13 72.49 7.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 55.229999999999997 111.063 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.2 -42.27 60.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 74.239999999999995 110.917 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.69 115.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 72.409999999999997 110.832 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -116.23 109.52 17.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 64.430000000000007 110.858 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -93.25 109.1 20.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 64.430000000000007 110.821 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -116.1 102.0 9.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 62.149999999999999 110.856 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -146.96 174.51 11.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 52.329999999999998 110.83 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.67 -10.3 33.36 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.69 -0.767 . . . . 44.530000000000001 112.438 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.42 113.52 0.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.834 0.35 . . . . 72.25 110.913 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -106.8 120.06 41.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 54.229999999999997 110.914 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -124.51 113.32 35.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 72.25 111.136 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 54.5 m170 -116.13 117.26 29.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 63.240000000000002 110.831 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -132.09 128.41 38.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 60.119999999999997 110.89 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . 0.57 ' OE1' HG12 ' D' ' 39' ' ' VAL . 19.1 pt20 -127.91 134.17 49.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 71.450000000000003 110.911 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . 0.662 ' O ' HD22 ' I' ' 17' ' ' LEU . 6.7 tptm -124.0 123.64 40.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 74.209999999999994 110.865 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.662 HD22 ' O ' ' I' ' 16' ' ' LYS . 4.4 mm? -128.98 103.37 6.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 73.140000000000001 110.884 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . 0.639 ' CG1' ' HB2' ' I' ' 21' ' ' ALA . 58.1 t -113.21 122.56 67.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 62.32 111.128 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . 0.657 ' CE2' HD23 ' J' ' 34' ' ' LEU . 2.4 m-85 -111.35 131.98 54.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 65.219999999999999 110.877 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . 0.428 ' HZ ' HG22 ' I' ' 31' ' ' ILE . 4.3 m-85 60.08 58.03 2.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 54.149999999999999 110.897 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . 0.639 ' HB2' ' CG1' ' I' ' 18' ' ' VAL . . . -93.22 107.97 19.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 65.140000000000001 111.098 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 52.3 t0 61.83 103.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 73.230000000000004 110.843 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.6 HG11 ' ND2' ' I' ' 27' ' ' ASN . 21.9 t -130.9 133.79 62.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 73.239999999999995 111.1 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.78 -41.85 95.46 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 60.420000000000002 112.476 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.55 121.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.384 . . . . 61.240000000000002 110.861 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . 0.6 ' ND2' HG11 ' I' ' 24' ' ' VAL . 26.2 m120 -101.26 111.72 24.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 51.310000000000002 110.923 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . 0.408 ' O ' HD11 ' I' ' 31' ' ' ILE . 1.0 OUTLIER -112.65 164.33 13.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 52.009999999999998 110.902 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.76 -137.72 30.93 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.701 -0.762 . . . . 61.32 112.479 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.739 ' O ' HD13 ' I' ' 31' ' ' ILE . . . -93.37 119.12 32.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.753 0.311 . . . . 71.319999999999993 111.127 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.739 HD13 ' O ' ' I' ' 30' ' ' ALA . 24.6 mm -131.74 132.97 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 63.219999999999999 111.103 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . 0.585 HG21 ' HB2' ' I' ' 35' ' ' MET . 2.8 mp -124.12 112.24 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 73.150000000000006 111.116 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.58 -14.25 71.1 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 71.540000000000006 112.463 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.953 HD22 HD12 ' H' ' 34' ' ' LEU . 3.5 tm? -168.58 108.49 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 74.329999999999998 110.926 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . 0.585 ' HB2' HG21 ' I' ' 32' ' ' ILE . 2.3 ttp -119.97 121.73 39.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 60.109999999999999 110.891 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 72.5 t -126.07 114.29 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 75.430000000000007 111.124 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.69 30.08 20.04 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 72.430000000000007 112.455 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.06 -178.44 22.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 62.409999999999997 112.48 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 0.927 HG13 HG23 ' J' ' 39' ' ' VAL . 4.1 p -157.45 138.0 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 53.140000000000001 111.148 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . 0.566 HG22 HG12 ' H' ' 40' ' ' VAL . 18.8 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 71.219999999999999 111.098 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.826 0.346 . . . . 40.509999999999998 110.873 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.74 77.05 6.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 73.140000000000001 111.117 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.35 -45.47 55.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 61.229999999999997 110.875 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -164.89 115.59 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 74.519999999999996 110.906 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -113.24 109.7 19.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 62.329999999999998 110.874 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -94.09 109.01 20.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 61.25 110.868 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -116.18 102.03 9.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 34.299999999999997 110.849 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -147.33 172.1 14.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 52.350000000000001 110.816 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.77 -9.65 37.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.699 -0.762 . . . . 40.109999999999999 112.486 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . 0.409 ' HE1' HG22 ' J' ' 12' ' ' VAL . 1.0 OUTLIER -171.7 111.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 71.430000000000007 110.894 -179.811 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -106.75 120.26 41.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 72.540000000000006 110.911 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.409 HG22 ' HE1' ' J' ' 10' ' ' TYR . 21.2 t -124.57 113.99 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 60.329999999999998 111.14 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -115.99 116.94 28.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 71.129999999999995 110.848 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -131.41 129.04 40.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 73.329999999999998 110.891 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . 0.501 ' OE1' HG12 ' E' ' 39' ' ' VAL . 19.2 pt20 -127.48 135.46 50.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 64.409999999999997 110.91 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . 0.666 ' O ' HD22 ' J' ' 17' ' ' LEU . 6.7 tptm -124.38 121.54 35.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 52.539999999999999 110.872 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.666 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.4 mm? -129.5 102.62 6.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 75.310000000000002 110.874 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.742 ' CG1' ' HB2' ' J' ' 21' ' ' ALA . 54.7 t -111.58 123.03 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 55.439999999999998 111.159 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.454 ' HE1' HD12 ' J' ' 17' ' ' LEU . 2.3 m-85 -110.37 128.81 55.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 60.43 110.899 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 59.88 59.11 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 71.140000000000001 110.875 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . 0.742 ' HB2' ' CG1' ' J' ' 18' ' ' VAL . . . -94.17 108.39 20.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 35.420000000000002 111.091 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 53.1 t0 61.84 104.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 73.530000000000001 110.86 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.574 HG11 ' ND2' ' J' ' 27' ' ' ASN . 23.9 t -131.49 133.09 62.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 73.239999999999995 111.136 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.86 -42.05 95.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.777 -0.725 . . . . 55.020000000000003 112.492 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.81 120.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 55.119999999999997 110.88 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . 0.574 ' ND2' HG11 ' J' ' 24' ' ' VAL . 25.2 m120 -101.82 111.45 23.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 64.25 110.89 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -113.24 163.07 15.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 72.450000000000003 110.899 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.71 -136.17 37.34 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 53.039999999999999 112.496 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 0.737 ' O ' HD13 ' J' ' 31' ' ' ILE . . . -94.97 118.14 31.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 13.039999999999999 111.086 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.737 HD13 ' O ' ' J' ' 30' ' ' ALA . 23.9 mm -131.72 130.94 62.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 62.350000000000001 111.118 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . 0.507 HG21 ' HB2' ' J' ' 35' ' ' MET . 2.8 mp -124.79 112.35 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 64.450000000000003 111.133 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.91 -10.95 68.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.729 . . . . 71.109999999999999 112.486 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.914 HD22 HD12 ' I' ' 34' ' ' LEU . 3.4 tm? -165.88 106.82 0.72 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.333 . . . . 74.230000000000004 110.921 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . 0.507 ' HB2' HG21 ' J' ' 32' ' ' ILE . 2.3 ttp -121.88 121.94 38.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 73.319999999999993 110.889 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 75.0 t -128.54 114.43 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 75.140000000000001 111.146 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.75 29.71 19.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 43.350000000000001 112.514 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.22 -178.57 21.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.759 . . . . 73.109999999999999 112.488 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.927 HG23 HG13 ' I' ' 39' ' ' VAL . 5.4 p -157.63 139.3 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.358 . . . . 73.519999999999996 111.113 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.518 HG22 HG12 ' I' ' 40' ' ' VAL . 19.3 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 75.540000000000006 111.1 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.782 0.325 . . . . 73.109999999999999 110.863 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.04 104.67 1.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 75.530000000000001 111.072 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.403 ' CA ' ' HA2' ' F' ' 29' ' ' GLY . 1.8 mp0 -55.26 -39.06 69.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 74.299999999999997 110.899 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' F' ' 30' ' ' ALA . 0.1 OUTLIER -149.77 114.42 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 72.219999999999999 110.833 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -133.13 108.81 9.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 75.150000000000006 110.861 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -105.31 111.94 24.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 72.409999999999997 110.817 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -113.16 101.46 9.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 74.510000000000005 110.862 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.1 t -150.26 175.6 11.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 61.140000000000001 110.865 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.34 -7.32 40.43 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.772 -0.728 . . . . 74.340000000000003 112.436 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.1 116.28 0.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.838 0.351 . . . . 75.129999999999995 110.914 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -102.46 119.74 39.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 73.430000000000007 110.91 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.2 t -133.09 114.31 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 63.420000000000002 111.147 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 40.5 m170 -123.16 116.9 24.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 74.329999999999998 110.852 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -126.4 125.21 41.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 75.430000000000007 110.849 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -118.13 132.82 56.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 72.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.516 ' O ' HD22 ' A' ' 17' ' ' LEU . 12.4 tptm -129.2 115.52 17.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 72.230000000000004 110.872 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.596 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.5 mm? -124.79 111.27 15.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 64.439999999999998 110.906 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.697 HG12 ' HB2' ' A' ' 21' ' ' ALA . 12.2 t -117.31 113.78 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 74.019999999999996 111.16 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.691 ' CE2' HD23 ' B' ' 34' ' ' LEU . 3.3 m-85 -103.7 131.83 50.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 75.120000000000005 110.917 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.541 ' CZ ' HG22 ' A' ' 31' ' ' ILE . 5.4 m-85 61.47 53.36 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 74.209999999999994 110.862 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.697 ' HB2' HG12 ' A' ' 18' ' ' VAL . . . -91.65 114.13 26.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 50.140000000000001 111.153 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 59.1 95.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 72.209999999999994 110.881 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.693 ' CG1' HG23 ' B' ' 24' ' ' VAL . 5.6 p -135.28 135.02 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 24.420000000000002 111.126 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.71 -55.52 20.07 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 74.510000000000005 112.482 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.7 m -169.33 130.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 74.329999999999998 110.883 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -97.71 102.01 13.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 73.209999999999994 110.86 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 tptp -113.98 166.05 11.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 65.200000000000003 110.926 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.29 -135.54 36.33 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.733 -0.746 . . . . 70.340000000000003 112.494 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.578 ' HB2' ' CE2' ' F' ' 4' ' ' PHE . . . -95.75 114.11 25.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 41.340000000000003 111.1 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.541 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -127.97 123.78 61.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 75.340000000000003 111.101 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.5 mt -114.65 111.22 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 73.420000000000002 111.16 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.94 -35.37 21.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 64.510000000000005 112.495 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.696 HD12 ' CD2' ' B' ' 34' ' ' LEU . 2.6 tm? -164.63 107.68 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 74.299999999999997 110.943 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.0 ttm -122.5 125.5 45.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 62.409999999999997 110.856 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.728 HG11 HG21 ' F' ' 36' ' ' VAL . 65.9 t -119.66 119.4 60.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 63.109999999999999 111.159 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.3 27.07 23.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 61.32 112.495 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.67 175.41 24.36 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.739 . . . . 71.5 112.558 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.91 HG13 HG23 ' B' ' 39' ' ' VAL . 5.6 p -152.56 143.83 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 72.109999999999999 111.127 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 73.0 111.062 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.859 0.361 . . . . 64.420000000000002 110.931 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.84 105.37 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 72.219999999999999 111.108 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -55.11 -38.34 68.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 75.140000000000001 110.875 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' G' ' 30' ' ' ALA . 0.1 OUTLIER -150.46 114.25 5.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 75.400000000000006 110.946 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -130.31 108.81 10.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 71.450000000000003 110.879 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -105.58 111.36 24.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 42.530000000000001 110.893 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -113.88 100.96 8.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 62.32 110.867 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 19.9 t -149.75 175.72 11.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 64.540000000000006 110.845 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.1 -8.14 39.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.79 -0.719 . . . . 71.230000000000004 112.487 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.4 115.28 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.884 0.373 . . . . 61.520000000000003 110.908 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -101.4 119.89 39.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 74.310000000000002 110.88 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.4 t -131.65 114.44 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 53.149999999999999 111.182 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -124.03 117.52 24.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 74.120000000000005 110.808 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -126.56 127.38 45.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 75.349999999999994 110.89 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -118.36 132.99 56.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 75.040000000000006 110.911 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.544 ' O ' HD22 ' B' ' 17' ' ' LEU . 12.6 tptm -126.46 116.31 20.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 62.399999999999999 110.913 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.621 ' HB2' HD13 ' C' ' 17' ' ' LEU . 4.5 mm? -125.29 110.65 14.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 70.030000000000001 110.901 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.723 HG12 ' HB2' ' B' ' 21' ' ' ALA . 7.5 t -117.58 114.87 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 72.150000000000006 111.115 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.701 ' CE2' HD23 ' C' ' 34' ' ' LEU . 2.4 m-85 -105.96 129.61 54.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 62.020000000000003 110.874 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.515 ' CZ ' HG22 ' B' ' 31' ' ' ILE . 6.2 m-85 61.25 54.24 3.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 75.230000000000004 110.893 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.723 ' HB2' HG12 ' B' ' 18' ' ' VAL . . . -91.36 114.65 27.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 71.209999999999994 111.117 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 58.37 95.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 44.409999999999997 110.865 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.693 HG23 ' CG1' ' A' ' 24' ' ' VAL . 4.2 p -135.45 132.66 52.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 71.519999999999996 111.103 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.98 -54.05 27.54 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.755 -0.736 . . . . 51.43 112.444 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -168.95 130.36 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.921 0.391 . . . . 71.299999999999997 110.887 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -99.64 101.1 12.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 52.229999999999997 110.894 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 tptp -114.23 166.93 11.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 51.049999999999997 110.901 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.16 -135.5 40.06 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 62.409999999999997 112.464 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.572 ' HB2' ' CE2' ' G' ' 4' ' ' PHE . . . -95.95 114.15 25.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.763 0.316 . . . . 73.400000000000006 111.1 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.515 HG22 ' CZ ' ' B' ' 20' ' ' PHE . 0.6 OUTLIER -128.48 123.64 60.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 71.430000000000007 111.137 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 26.3 mt -114.74 109.6 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 65.219999999999999 111.156 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.44 -34.86 27.67 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 70.109999999999999 112.473 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.776 HD12 ' CD2' ' C' ' 34' ' ' LEU . 3.3 tm? -162.66 107.26 1.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 75.310000000000002 110.914 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 46.2 ttm -121.92 124.13 43.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 75.099999999999994 110.934 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.597 HG21 HG11 ' G' ' 36' ' ' VAL . 65.8 t -122.21 117.72 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 71.329999999999998 111.127 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.98 26.84 28.28 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.783 -0.722 . . . . 62.210000000000001 112.49 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.38 176.27 25.29 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.773 -0.727 . . . . 72.129999999999995 112.486 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.923 HG13 HG23 ' C' ' 39' ' ' VAL . 5.1 p -152.16 143.53 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 73.409999999999997 111.092 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 75.140000000000001 111.142 179.883 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.854 0.359 . . . . 74.239999999999995 110.873 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 2' ' ' ALA . . . . . 0.432 ' HB1' ' HG2' ' C' ' 5' ' ' ARG . . . -66.96 105.29 1.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 63.229999999999997 111.112 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . 0.404 ' CA ' ' HA2' ' H' ' 29' ' ' GLY . 1.9 mp0 -54.91 -37.33 66.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 71.209999999999994 110.862 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' H' ' 30' ' ' ALA . 0.1 OUTLIER -150.79 114.36 4.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 75.230000000000004 110.888 -179.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 5' ' ' ARG . . . . . 0.432 ' HG2' ' HB1' ' C' ' 2' ' ' ALA . 6.4 mmt180 -128.59 108.66 10.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 74.340000000000003 110.835 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -106.29 109.37 21.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 75.439999999999998 110.835 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -113.13 101.08 9.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 75.239999999999995 110.861 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 19.4 t -149.34 175.42 11.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 74.420000000000002 110.886 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.81 -8.2 40.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 73.439999999999998 112.48 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.47 115.41 0.31 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.817 0.342 . . . . 75.299999999999997 110.935 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -101.83 120.05 39.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 74.540000000000006 110.872 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 96.7 t -131.47 114.4 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 73.129999999999995 111.137 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 43.7 m170 -124.11 117.41 24.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 70.230000000000004 110.885 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -126.53 127.97 46.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 60.310000000000002 110.868 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -118.91 133.49 55.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 72.25 110.901 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.585 ' O ' HD22 ' C' ' 17' ' ' LEU . 12.6 tptm -124.67 116.77 22.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 72.340000000000003 110.862 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.621 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.5 mm? -126.66 109.79 12.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 64.25 110.921 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.716 HG12 ' HB2' ' C' ' 21' ' ' ALA . 9.9 t -118.29 115.79 49.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 70.200000000000003 111.115 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.688 ' CE2' HD23 ' D' ' 34' ' ' LEU . 1.9 m-85 -105.79 129.51 53.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 73.239999999999995 110.899 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.401 ' CZ ' HG22 ' C' ' 31' ' ' ILE . 6.8 m-85 60.54 55.17 3.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 65.519999999999996 110.845 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 0.716 ' HB2' HG12 ' C' ' 18' ' ' VAL . . . -91.69 114.11 26.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 73.230000000000004 111.105 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 58.68 96.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 73.549999999999997 110.87 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.673 HG23 ' CG1' ' B' ' 24' ' ' VAL . 4.1 p -136.28 132.16 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 74.430000000000007 111.094 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.82 -54.06 30.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 72.209999999999994 112.509 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -167.68 129.73 1.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.887 0.375 . . . . 70.099999999999994 110.85 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.4 ' OD1' HG21 ' C' ' 24' ' ' VAL . 65.9 m-20 -99.93 100.31 11.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 65.239999999999995 110.896 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.403 ' O ' HD11 ' C' ' 31' ' ' ILE . 2.3 tptp -114.53 167.4 10.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 72.239999999999995 110.892 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.83 -135.91 42.02 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 41.420000000000002 112.466 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.568 ' HB2' ' CE2' ' H' ' 4' ' ' PHE . . . -96.13 113.9 25.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.719 0.295 . . . . 71.310000000000002 111.092 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.403 HD11 ' O ' ' C' ' 28' ' ' LYS . 0.6 OUTLIER -129.02 123.87 59.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 73.040000000000006 111.133 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 24.2 mt -114.59 109.06 27.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 72.120000000000005 111.099 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.35 -33.02 29.67 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 64.5 112.504 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.84 HD12 HD22 ' D' ' 34' ' ' LEU . 3.4 tm? -161.3 106.87 1.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.859 0.361 . . . . 73.340000000000003 110.9 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 45.8 ttm -122.41 123.39 41.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 74.510000000000005 110.845 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.48 HG21 HG11 ' H' ' 36' ' ' VAL . 70.7 t -123.34 116.64 49.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 62.219999999999999 111.135 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.17 27.61 23.87 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 64.430000000000007 112.46 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.38 177.1 25.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.794 -0.717 . . . . 61.310000000000002 112.472 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.923 HG23 HG13 ' B' ' 39' ' ' VAL . 4.2 p -151.83 143.33 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.859 0.362 . . . . 71.439999999999998 111.106 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 62.420000000000002 111.134 179.942 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.828 0.347 . . . . 75.450000000000003 110.836 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 2' ' ' ALA . . . . . 0.44 ' HB1' ' HG2' ' D' ' 5' ' ' ARG . . . -66.94 105.26 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 73.439999999999998 111.144 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 3' ' ' GLU . . . . . 0.409 ' CA ' ' HA2' ' I' ' 29' ' ' GLY . 2.1 mp0 -54.74 -37.36 65.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 72.430000000000007 110.849 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 4' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' I' ' 30' ' ' ALA . 0.1 OUTLIER -151.03 114.61 4.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 64.200000000000003 110.908 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 5' ' ' ARG . . . . . 0.44 ' HG2' ' HB1' ' D' ' 2' ' ' ALA . 6.5 mmt180 -127.74 108.56 10.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 62.009999999999998 110.883 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -107.11 109.11 20.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 75.299999999999997 110.847 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -113.49 101.17 9.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 62.240000000000002 110.853 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 20.0 t -148.81 174.75 11.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 73.310000000000002 110.85 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.46 -8.11 41.33 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 73.140000000000001 112.481 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.31 115.04 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 75.420000000000002 110.958 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -101.95 120.48 40.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 74.430000000000007 110.847 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 94.1 t -131.7 114.2 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 75.25 111.177 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 44.6 m170 -124.27 116.96 23.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 63.520000000000003 110.867 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -126.67 128.23 46.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 65.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -118.84 135.13 54.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 63.439999999999998 110.903 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . 0.631 ' O ' HD22 ' D' ' 17' ' ' LEU . 12.5 tptm -124.17 116.24 22.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 74.040000000000006 110.899 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.631 HD22 ' O ' ' D' ' 16' ' ' LYS . 4.5 mm? -128.16 108.79 10.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 73.230000000000004 110.93 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.711 HG12 ' HB2' ' D' ' 21' ' ' ALA . 12.1 t -118.18 117.37 54.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 70.129999999999995 111.114 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.653 ' CE2' HD23 ' E' ' 34' ' ' LEU . 1.6 m-85 -105.55 129.65 53.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 70.530000000000001 110.849 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 59.95 55.54 3.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 72.049999999999997 110.877 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . 0.711 ' HB2' HG12 ' D' ' 18' ' ' VAL . . . -92.13 114.64 27.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 74.409999999999997 111.105 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 58.24 96.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 73.439999999999998 110.849 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.669 HG23 ' CG1' ' C' ' 24' ' ' VAL . 4.4 p -136.86 130.97 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 72.230000000000004 111.118 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.87 -54.11 30.06 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 44.119999999999997 112.475 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -166.89 129.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.845 0.355 . . . . 55.229999999999997 110.918 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.459 ' OD1' HG21 ' D' ' 24' ' ' VAL . 70.7 m-20 -100.57 99.84 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 72.120000000000005 110.903 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 0.417 ' O ' HD11 ' D' ' 31' ' ' ILE . 2.7 tptp -114.77 167.48 10.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 75.540000000000006 110.904 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.4 -135.94 44.13 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.762 -0.732 . . . . 65.019999999999996 112.48 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.574 ' HB2' ' CE2' ' I' ' 4' ' ' PHE . . . -96.45 113.92 25.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.744 0.307 . . . . 45.219999999999999 111.11 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.417 HD11 ' O ' ' D' ' 28' ' ' LYS . 0.5 OUTLIER -129.69 123.7 57.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 62.100000000000001 111.12 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 24.6 mt -114.85 108.79 26.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 43.109999999999999 111.154 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.52 -31.35 27.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 51.539999999999999 112.459 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.869 HD12 HD22 ' E' ' 34' ' ' LEU . 3.4 tm? -159.63 106.43 1.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 75.540000000000006 110.907 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 44.6 ttm -124.88 122.56 37.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 63.5 110.934 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.493 HG21 HG11 ' I' ' 36' ' ' VAL . 71.7 t -123.51 116.79 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 64.129999999999995 111.11 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.91 27.94 22.77 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.775 -0.726 . . . . 20.510000000000002 112.534 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.13 177.08 26.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 75.25 112.547 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.918 HG23 HG13 ' C' ' 39' ' ' VAL . 4.7 p -151.5 143.43 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 54.310000000000002 111.138 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 74.140000000000001 111.115 179.909 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.803 0.335 . . . . 73.430000000000007 110.889 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' E' E ' 2' ' ' ALA . . . . . 0.475 ' HB1' ' HG2' ' E' ' 5' ' ' ARG . . . -67.15 105.64 1.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 62.219999999999999 111.112 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -53.77 -37.59 63.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 52.109999999999999 110.877 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 4' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' J' ' 30' ' ' ALA . 0.1 OUTLIER -151.38 115.57 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 74.540000000000006 110.916 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' E' E ' 5' ' ' ARG . . . . . 0.475 ' HG2' ' HB1' ' E' ' 2' ' ' ALA . 6.3 mmt180 -126.12 108.21 11.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 72.510000000000005 110.888 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -106.73 109.05 20.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 63.420000000000002 110.842 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -113.17 101.09 9.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 62.240000000000002 110.852 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 19.7 t -150.1 171.69 16.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 75.25 110.856 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.45 -7.15 46.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.76 . . . . 64.510000000000005 112.495 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -171.95 113.33 0.32 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.836 0.35 . . . . 74.310000000000002 110.893 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -102.91 121.29 42.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 75.420000000000002 110.875 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 93.0 t -131.25 114.9 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 51.450000000000003 111.143 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -124.07 115.25 20.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 74.420000000000002 110.875 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -125.98 128.7 47.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 71.109999999999999 110.875 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -118.49 137.46 53.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 75.129999999999995 110.937 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . 0.672 ' O ' HD22 ' E' ' 17' ' ' LEU . 12.6 tptm -123.74 115.45 21.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 51.350000000000001 110.876 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.672 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.4 mm? -129.55 109.03 10.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 72.209999999999994 110.897 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.734 ' CG1' ' HB2' ' E' ' 21' ' ' ALA . 5.8 t -116.73 119.34 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 64.299999999999997 111.146 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.444 ' HE1' HD12 ' E' ' 17' ' ' LEU . 1.6 m-85 -105.45 127.12 52.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 73.230000000000004 110.876 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 59.16 56.28 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 75.510000000000005 110.915 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . 0.734 ' HB2' ' CG1' ' E' ' 18' ' ' VAL . . . -92.04 115.47 28.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 62.020000000000003 111.096 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 57.41 96.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 71.140000000000001 110.837 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.608 HG21 ' OD1' ' E' ' 27' ' ' ASN . 4.5 p -135.81 129.38 48.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 71.129999999999995 111.128 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.23 -52.59 43.05 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.774 -0.727 . . . . 63.329999999999998 112.499 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -167.16 126.67 1.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.896 0.379 . . . . 53.350000000000001 110.799 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.608 ' OD1' HG21 ' E' ' 24' ' ' VAL . 72.3 m-20 -100.46 99.55 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 75.510000000000005 110.904 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . 0.421 ' O ' HD11 ' E' ' 31' ' ' ILE . 3.4 tptp -115.72 167.99 10.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 51.549999999999997 110.875 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.75 -134.71 46.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 63.130000000000003 112.474 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.585 ' HB2' ' CE2' ' J' ' 4' ' ' PHE . . . -97.31 113.72 25.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 64.530000000000001 111.062 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.421 HD11 ' O ' ' E' ' 28' ' ' LYS . 0.5 OUTLIER -130.04 123.75 56.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 75.319999999999993 111.104 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 27.0 mt -116.62 108.38 24.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 74.310000000000002 111.139 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.66 -28.03 27.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 71.430000000000007 112.513 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.869 HD22 HD12 ' D' ' 34' ' ' LEU . 3.3 tm? -158.23 105.89 1.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.815 0.341 . . . . 75.540000000000006 110.869 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 42.7 ttm -127.96 123.22 34.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 64.209999999999994 110.87 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.553 HG21 HG11 ' J' ' 36' ' ' VAL . 72.4 t -125.85 116.88 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 73.040000000000006 111.106 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.93 27.97 23.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 52.509999999999998 112.521 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.12 176.99 26.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 72.329999999999998 112.441 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.917 HG23 HG13 ' D' ' 39' ' ' VAL . 5.4 p -151.31 143.45 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 75.040000000000006 111.152 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 71.439999999999998 111.169 179.901 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.768 0.318 . . . . 64.519999999999996 110.853 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.36 105.2 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 51.409999999999997 111.119 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -54.45 -40.35 68.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 71.409999999999997 110.902 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 4' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -150.95 114.72 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 74.430000000000007 110.883 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -132.73 109.15 9.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 74.340000000000003 110.873 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -105.2 111.17 23.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 72.5 110.877 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -112.09 101.5 9.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 73.420000000000002 110.851 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 19.6 t -150.45 175.51 11.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 71.530000000000001 110.837 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.57 -7.47 39.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 62.409999999999997 112.478 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.12 116.01 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.878 0.37 . . . . 74.340000000000003 110.979 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -102.2 119.76 39.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 52.140000000000001 110.869 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 98.8 t -132.75 114.08 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 74.099999999999994 111.119 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -122.72 117.01 24.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 74.319999999999993 110.831 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -126.42 125.51 42.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 71.099999999999994 110.839 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -118.05 132.87 56.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 65.129999999999995 110.917 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . 0.535 ' O ' HD22 ' F' ' 17' ' ' LEU . 12.4 tptm -129.15 115.5 17.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 75.420000000000002 110.905 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.596 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.5 mm? -125.22 111.08 14.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 64.519999999999996 110.954 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.687 HG12 ' HB2' ' F' ' 21' ' ' ALA . 12.2 t -117.59 114.13 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 73.450000000000003 111.14 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.689 ' CE2' HD23 ' G' ' 34' ' ' LEU . 3.4 m-85 -104.09 131.85 50.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 74.519999999999996 110.878 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . 0.519 ' CZ ' HG22 ' F' ' 31' ' ' ILE . 5.3 m-85 61.12 53.76 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 75.319999999999993 110.838 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . 0.687 ' HB2' HG12 ' F' ' 18' ' ' VAL . . . -91.54 113.62 25.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 71.200000000000003 111.13 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 59.3 95.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 64.299999999999997 110.859 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.686 ' CG1' HG23 ' G' ' 24' ' ' VAL . 5.1 p -134.65 134.34 54.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 64.230000000000004 111.115 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.21 -55.49 21.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.706 -0.759 . . . . 75.019999999999996 112.483 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.0 m -168.18 128.82 1.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 54.420000000000002 110.874 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -97.32 101.42 12.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 74.019999999999996 110.892 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 tptp -113.32 167.24 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 70.230000000000004 110.884 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . 0.403 ' HA2' ' CA ' ' A' ' 3' ' ' GLU . . . 51.67 -137.58 30.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 72.439999999999998 112.451 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.566 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . . . -94.51 113.83 25.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.331 . . . . 53.409999999999997 111.058 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.519 HG22 ' CZ ' ' F' ' 20' ' ' PHE . 0.6 OUTLIER -126.99 125.21 66.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 72.129999999999995 111.136 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 26.6 mt -115.94 110.88 33.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 73.340000000000003 111.152 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.61 -36.57 22.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 52.32 112.44 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.693 HD12 ' CD2' ' G' ' 34' ' ' LEU . 2.6 tm? -164.17 107.79 0.95 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 64.219999999999999 110.927 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 46.0 ttm -122.38 124.89 44.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 73.0 110.894 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.728 HG21 HG11 ' A' ' 36' ' ' VAL . 66.8 t -118.99 119.38 60.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 75.450000000000003 111.105 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.5 26.88 24.46 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.715 -0.755 . . . . 71.109999999999999 112.534 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.21 175.52 24.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.7 -0.762 . . . . 74.409999999999997 112.486 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.92 HG13 HG23 ' G' ' 39' ' ' VAL . 5.5 p -152.68 143.68 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.381 . . . . 73.540000000000006 111.129 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 52.130000000000003 111.144 179.91 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.826 0.346 . . . . 70.049999999999997 110.888 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.62 104.95 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 64.0 111.091 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -54.54 -38.96 67.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 70.319999999999993 110.871 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 4' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' B' ' 30' ' ' ALA . 0.1 OUTLIER -151.28 114.81 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 75.129999999999995 110.904 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -130.81 108.97 10.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 73.519999999999996 110.845 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -105.23 110.12 22.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 75.510000000000005 110.857 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -112.26 100.93 9.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 64.109999999999999 110.874 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 19.8 t -149.93 175.5 11.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 74.519999999999996 110.806 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.16 -8.21 39.18 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 65.519999999999996 112.478 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.32 115.24 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 73.510000000000005 110.947 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -101.49 119.81 39.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 70.329999999999998 110.894 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 95.8 t -131.4 114.24 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 74.439999999999998 111.177 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -123.71 117.73 25.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 72.030000000000001 110.845 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -127.06 127.23 44.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 72.25 110.841 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -118.26 132.89 56.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 73.439999999999998 110.92 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . 0.563 ' O ' HD22 ' G' ' 17' ' ' LEU . 12.5 tptm -126.11 116.58 21.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 61.240000000000002 110.839 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.613 ' HB2' HD13 ' H' ' 17' ' ' LEU . 4.5 mm? -125.68 110.77 14.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 64.209999999999994 110.915 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.731 HG12 ' HB2' ' G' ' 21' ' ' ALA . 8.4 t -117.91 115.15 47.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 71.25 111.137 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.693 ' CE2' HD23 ' H' ' 34' ' ' LEU . 2.4 m-85 -106.11 129.64 54.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 74.109999999999999 110.886 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 0.504 ' CZ ' HG22 ' G' ' 31' ' ' ILE . 6.1 m-85 61.19 54.28 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 73.530000000000001 110.895 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . 0.731 ' HB2' HG12 ' G' ' 18' ' ' VAL . . . -91.14 113.98 26.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 70.540000000000006 111.114 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 58.79 96.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 54.130000000000003 110.888 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.686 HG23 ' CG1' ' F' ' 24' ' ' VAL . 4.1 p -135.01 132.08 53.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 73.129999999999995 111.139 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.61 -53.8 30.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 70.120000000000005 112.477 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -167.7 128.89 1.47 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.89 0.376 . . . . 63.43 110.904 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 -99.57 99.93 10.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 61.310000000000002 110.903 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 4.7 tptp -113.66 168.32 9.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 75.25 110.893 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.47 -137.3 34.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.696 -0.764 . . . . 44.350000000000001 112.487 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.572 ' HB2' ' CE2' ' B' ' 4' ' ' PHE . . . -94.95 113.7 25.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 54.100000000000001 111.117 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.504 HG22 ' CZ ' ' G' ' 20' ' ' PHE . 0.6 OUTLIER -127.45 124.28 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 52.219999999999999 111.139 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 26.3 mt -114.92 109.54 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 73.310000000000002 111.111 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.97 -35.5 27.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 43.329999999999998 112.486 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.76 HD12 ' CD2' ' H' ' 34' ' ' LEU . 3.3 tm? -162.79 107.4 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 73.310000000000002 110.951 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 46.4 ttm -121.93 124.18 43.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 72.25 110.913 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.597 HG11 HG21 ' B' ' 36' ' ' VAL . 67.2 t -121.57 117.67 53.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 62.119999999999997 111.161 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.99 26.91 28.54 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.778 -0.725 . . . . 54.340000000000003 112.462 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.0 176.33 25.77 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.77 -0.729 . . . . 55.219999999999999 112.459 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.92 HG23 HG13 ' F' ' 39' ' ' VAL . 4.7 p -152.06 143.49 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.362 . . . . 74.519999999999996 111.17 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 71.510000000000005 111.122 179.942 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.795 0.331 . . . . 64.340000000000003 110.864 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.34 105.07 1.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 72.400000000000006 111.075 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -54.43 -38.91 66.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 61.329999999999998 110.889 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 4' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' C' ' 30' ' ' ALA . 0.1 OUTLIER -151.09 114.76 4.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 62.399999999999999 110.863 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -129.48 108.89 10.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 73.219999999999999 110.888 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -106.04 109.05 20.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 63.329999999999998 110.812 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -112.43 101.08 9.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 71.010000000000005 110.858 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 19.2 t -149.26 175.25 11.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 73.129999999999995 110.818 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.66 -8.36 40.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 21.52 112.527 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.47 115.43 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.878 0.371 . . . . 74.549999999999997 110.897 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -101.62 120.01 39.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 44.509999999999998 110.863 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 96.8 t -131.29 114.28 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 74.010000000000005 111.146 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -124.15 117.57 24.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 75.120000000000005 110.859 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -127.02 127.28 44.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 72.239999999999995 110.873 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -118.22 133.32 56.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 74.430000000000007 110.916 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . 0.591 ' O ' HD22 ' H' ' 17' ' ' LEU . 12.6 tptm -124.59 116.62 22.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 74.519999999999996 110.91 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.613 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.5 mm? -126.53 109.28 11.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 63.530000000000001 110.956 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.722 HG12 ' HB2' ' H' ' 21' ' ' ALA . 10.6 t -117.92 115.97 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 60.240000000000002 111.109 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.675 ' CE2' HD23 ' I' ' 34' ' ' LEU . 1.9 m-85 -105.9 129.7 54.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 74.209999999999994 110.872 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . 0.417 ' CZ ' HG22 ' H' ' 31' ' ' ILE . 6.8 m-85 60.51 55.09 3.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 72.329999999999998 110.909 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . 0.722 ' HB2' HG12 ' H' ' 18' ' ' VAL . . . -91.43 114.04 26.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 73.150000000000006 111.128 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 58.66 96.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 72.040000000000006 110.879 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.679 HG23 ' CG1' ' G' ' 24' ' ' VAL . 4.0 p -135.84 131.63 50.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 65.239999999999995 111.141 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.51 -53.99 32.5 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 54.109999999999999 112.488 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -166.57 128.63 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 55.130000000000003 110.837 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . 0.48 ' OD1' HG21 ' H' ' 24' ' ' VAL . 67.6 m-20 -100.95 99.68 10.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 74.530000000000001 110.853 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -114.24 169.23 9.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 65.349999999999994 110.857 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . 0.404 ' HA2' ' CA ' ' C' ' 3' ' ' GLU . . . 53.14 -137.09 37.87 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 54.399999999999999 112.489 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . 0.569 ' HB2' ' CE2' ' C' ' 4' ' ' PHE . . . -95.23 113.62 25.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 45.140000000000001 111.128 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.417 HG22 ' CZ ' ' H' ' 20' ' ' PHE . 0.6 OUTLIER -128.19 124.66 62.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 71.030000000000001 111.124 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 25.7 mt -115.22 108.86 26.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 64.340000000000003 111.152 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.48 -33.38 28.33 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.677 -0.773 . . . . 74.010000000000005 112.463 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.851 HD12 HD22 ' I' ' 34' ' ' LEU . 3.4 tm? -160.96 106.97 1.42 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.821 0.343 . . . . 74.319999999999993 110.919 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 46.1 ttm -122.7 123.26 40.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 53.240000000000002 110.852 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.48 HG11 HG21 ' C' ' 36' ' ' VAL . 70.1 t -122.99 116.55 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 72.209999999999994 111.145 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.31 27.67 25.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.795 -0.716 . . . . 61.520000000000003 112.417 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.13 176.91 26.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.734 . . . . 64.030000000000001 112.471 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.902 HG23 HG13 ' G' ' 39' ' ' VAL . 4.2 p -151.61 143.29 16.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 71.030000000000001 111.097 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 64.319999999999993 111.155 179.903 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.806 0.336 . . . . 64.109999999999999 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.5 104.7 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 74.400000000000006 111.06 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -54.39 -39.16 66.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 72.439999999999998 110.877 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 4' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' D' ' 30' ' ' ALA . 0.1 OUTLIER -151.13 114.98 4.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 74.230000000000004 110.89 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -129.02 108.8 10.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 75.239999999999995 110.871 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -106.32 108.85 20.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 71.150000000000006 110.829 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -112.68 101.33 9.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 73.219999999999999 110.84 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 19.2 t -149.19 174.69 12.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 71.200000000000003 110.835 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.49 -8.25 40.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 62.439999999999998 112.489 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.3 114.9 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.844 0.354 . . . . 64.439999999999998 110.952 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -101.76 120.34 40.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 71.129999999999995 110.91 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 96.4 t -131.53 114.1 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 73.200000000000003 111.1 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 41.1 m170 -124.49 117.38 24.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 74.019999999999996 110.816 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -127.25 128.13 45.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 72.430000000000007 110.815 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -118.25 134.85 54.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 73.450000000000003 110.945 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . 0.637 ' O ' HD22 ' I' ' 17' ' ' LEU . 12.6 tptm -124.07 116.21 22.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 72.420000000000002 110.886 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.637 HD22 ' O ' ' I' ' 16' ' ' LYS . 4.5 mm? -128.17 108.25 10.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 60.409999999999997 110.871 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . 0.715 HG12 ' HB2' ' I' ' 21' ' ' ALA . 12.0 t -117.69 117.5 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 52.109999999999999 111.13 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . 0.653 ' CE2' HD23 ' J' ' 34' ' ' LEU . 1.6 m-85 -105.61 129.58 53.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 71.040000000000006 110.892 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 59.93 55.64 3.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 62.509999999999998 110.87 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . 0.715 ' HB2' HG12 ' I' ' 18' ' ' VAL . . . -92.08 114.28 26.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 50.420000000000002 111.107 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 58.32 97.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 74.349999999999994 110.842 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.671 HG23 ' CG1' ' H' ' 24' ' ' VAL . 4.5 p -136.49 130.42 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 71.519999999999996 111.123 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.23 -54.09 31.22 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.77 -0.729 . . . . 52.310000000000002 112.462 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -165.78 128.2 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.889 0.376 . . . . 65.519999999999996 110.84 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . 0.548 ' OD1' HG21 ' I' ' 24' ' ' VAL . 71.7 m-20 -102.04 99.3 9.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 73.200000000000003 110.922 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . 0.42 ' O ' HD11 ' I' ' 31' ' ' ILE . 4.5 tptp -114.86 169.24 9.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 74.030000000000001 110.892 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . 0.409 ' HA2' ' CA ' ' D' ' 3' ' ' GLU . . . 54.43 -136.43 43.58 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 54.549999999999997 112.454 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.58 ' HB2' ' CE2' ' D' ' 4' ' ' PHE . . . -96.35 113.45 25.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 73.310000000000002 111.093 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.42 HD11 ' O ' ' I' ' 28' ' ' LYS . 0.6 OUTLIER -129.04 124.73 61.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 61.299999999999997 111.137 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 25.5 mt -115.75 108.46 25.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 41.119999999999997 111.159 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.64 -31.52 26.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 71.209999999999994 112.508 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.898 HD12 HD22 ' J' ' 34' ' ' LEU . 3.5 tm? -158.9 106.73 1.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.34 . . . . 31.199999999999999 110.907 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 43.9 ttm -125.14 122.42 37.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 72.400000000000006 110.899 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.493 HG11 HG21 ' D' ' 36' ' ' VAL . 68.5 t -123.88 116.89 49.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 72.530000000000001 111.109 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.9 27.73 22.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 51.200000000000003 112.48 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.95 176.87 26.23 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.715 -0.755 . . . . 73.420000000000002 112.454 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 0.919 HG13 HG23 ' J' ' 39' ' ' VAL . 4.6 p -151.47 143.27 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 74.209999999999994 111.127 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 75.200000000000003 111.144 179.939 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.762 0.315 . . . . 74.239999999999995 110.888 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.67 105.21 1.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 50.409999999999997 111.109 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -54.0 -39.29 65.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 72.420000000000002 110.896 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 4' ' ' PHE . . . . . 0.585 ' CE2' ' HB2' ' E' ' 30' ' ' ALA . 0.1 OUTLIER -151.54 115.4 4.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 65.340000000000003 110.921 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -128.49 108.8 10.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 73.310000000000002 110.868 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -106.39 108.94 20.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 74.319999999999993 110.893 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -112.89 101.32 9.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 52.109999999999999 110.887 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 20.2 t -149.95 171.34 16.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 75.099999999999994 110.865 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.05 -7.21 47.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 74.040000000000006 112.491 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.16 112.91 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.813 0.34 . . . . 71.329999999999998 110.89 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -101.85 120.75 40.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 73.319999999999993 110.905 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 96.3 t -131.18 114.26 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 60.210000000000001 111.115 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 42.8 m170 -124.31 115.75 21.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 74.099999999999994 110.86 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -126.5 128.58 47.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 73.319999999999993 110.83 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -117.86 137.47 52.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 71.409999999999997 110.892 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . 0.675 ' O ' HD22 ' J' ' 17' ' ' LEU . 12.6 tptm -124.01 115.45 21.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 74.340000000000003 110.887 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.675 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.4 mm? -129.65 108.51 10.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 73.109999999999999 110.901 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.725 HG12 ' HB2' ' J' ' 21' ' ' ALA . 5.7 t -116.41 119.43 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 65.340000000000003 111.189 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.47 ' HE1' HD12 ' J' ' 17' ' ' LEU . 1.6 m-85 -105.67 127.22 52.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 73.219999999999999 110.878 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 59.36 56.09 3.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 63.409999999999997 110.939 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . 0.725 ' HB2' HG12 ' J' ' 18' ' ' VAL . . . -92.29 115.7 28.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 73.140000000000001 111.131 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 57.61 97.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 61.310000000000002 110.827 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.698 HG21 ' OD1' ' J' ' 27' ' ' ASN . 4.2 p -136.36 128.38 44.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 71.430000000000007 111.125 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.43 -52.45 44.71 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.704 -0.76 . . . . 63.450000000000003 112.495 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -165.89 124.63 1.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.38 . . . . 74.129999999999995 110.851 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . 0.698 ' OD1' HG21 ' J' ' 24' ' ' VAL . 72.4 m-20 -101.83 98.96 9.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 75.299999999999997 110.866 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . 0.412 ' O ' HD11 ' J' ' 31' ' ' ILE . 4.7 tptp -116.22 170.46 8.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 73.209999999999994 110.861 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.72 -135.37 46.07 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.729 -0.748 . . . . 74.0 112.502 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 0.572 ' HB2' ' CE2' ' E' ' 4' ' ' PHE . . . -96.87 113.25 24.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.756 0.312 . . . . 43.43 111.133 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.412 HD11 ' O ' ' J' ' 28' ' ' LYS . 0.5 OUTLIER -129.84 124.9 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 74.409999999999997 111.096 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 29.4 mt -117.69 108.01 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 70.140000000000001 111.09 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.98 -27.71 27.88 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.719 -0.753 . . . . 73.219999999999999 112.51 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.898 HD22 HD12 ' I' ' 34' ' ' LEU . 3.3 tm? -157.52 106.12 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 53.329999999999998 110.951 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 41.3 ttm -127.47 122.85 34.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 75.120000000000005 110.897 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.553 HG11 HG21 ' E' ' 36' ' ' VAL . 77.1 t -126.44 116.57 45.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 62.310000000000002 111.158 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.94 27.75 22.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 62.409999999999997 112.504 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.81 177.21 26.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.752 . . . . 74.420000000000002 112.514 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.919 HG23 HG13 ' I' ' 39' ' ' VAL . 5.2 p -151.66 143.76 16.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.928 0.394 . . . . 71.310000000000002 111.086 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 71.549999999999997 111.115 179.908 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.842 0.354 . . . . 70.310000000000002 110.899 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.63 79.89 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 65.329999999999998 111.119 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.463 ' CA ' ' HA2' ' F' ' 29' ' ' GLY . 2.4 mp0 -51.78 -54.51 27.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 75.150000000000006 110.885 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.468 ' CE1' ' HB2' ' F' ' 30' ' ' ALA . 0.5 OUTLIER -137.81 115.31 11.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 64.099999999999994 110.904 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.03 108.5 13.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 74.439999999999998 110.888 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -110.1 112.81 25.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 70.109999999999999 110.845 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -121.98 101.64 7.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 72.109999999999999 110.821 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -151.83 176.88 10.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 62.240000000000002 110.875 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.83 -1.97 49.25 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.699 -0.763 . . . . 71.519999999999996 112.469 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.459 ' HD1' HG13 ' A' ' 12' ' ' VAL . 1.2 t80 -172.24 119.1 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.37 . . . . 73.209999999999994 110.914 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -109.11 118.54 37.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 72.340000000000003 110.879 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.685 HG12 HG22 ' B' ' 12' ' ' VAL . 18.8 m -135.74 132.87 51.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 55.450000000000003 111.126 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -131.67 115.74 16.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 72.150000000000006 110.861 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -124.57 119.33 28.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 73.349999999999994 110.889 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -121.35 133.72 55.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 63.030000000000001 110.913 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.44 ' O ' HD22 ' A' ' 17' ' ' LEU . 12.1 tptm -125.17 115.28 20.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 64.510000000000005 110.878 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.541 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.1 mm? -121.25 109.61 15.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 73.519999999999996 110.873 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.708 HG12 ' CG2' ' B' ' 18' ' ' VAL . 35.9 m -118.78 122.27 69.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 70.530000000000001 111.11 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.6 ' CE2' HD23 ' B' ' 34' ' ' LEU . 4.6 m-85 -117.54 131.99 56.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 73.540000000000006 110.894 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 63.46 63.54 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 74.450000000000003 110.909 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.25 113.5 27.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 72.129999999999995 111.095 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 64.67 109.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 74.25 110.88 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.66 ' CG1' HG23 ' B' ' 24' ' ' VAL . 7.2 p -151.32 133.55 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 70.140000000000001 111.143 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.79 -72.96 0.58 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.763 -0.732 . . . . 74.140000000000001 112.486 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -144.67 124.2 13.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 73.209999999999994 110.825 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.65 ' ND2' HG21 ' A' ' 24' ' ' VAL . 2.2 m120 -98.75 114.77 27.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 73.310000000000002 110.937 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -114.6 165.99 12.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 73.230000000000004 110.881 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.48 -147.07 10.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.741 . . . . 54.32 112.477 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.447 ' HB2' ' CE1' ' F' ' 4' ' ' PHE . . . -87.67 113.73 23.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.759 0.314 . . . . 63.340000000000003 111.074 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.423 ' HB ' HG23 ' B' ' 31' ' ' ILE . 0.9 OUTLIER -123.18 127.06 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 73.439999999999998 111.106 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.551 HG21 ' HB2' ' A' ' 35' ' ' MET . 3.3 mp -126.93 119.7 53.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 74.530000000000001 111.129 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.72 -29.12 27.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.756 . . . . 50.039999999999999 112.468 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.66 HD12 HD22 ' B' ' 34' ' ' LEU . 2.2 tm? -156.48 108.98 2.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.796 0.331 . . . . 53.119999999999997 110.928 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.551 ' HB2' HG21 ' A' ' 32' ' ' ILE . 2.8 ttp -123.87 128.19 49.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.0 110.88 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.3 t -115.47 112.79 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 74.409999999999997 111.113 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.3 25.24 25.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.724 -0.75 . . . . 73.319999999999993 112.498 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.05 -173.25 46.43 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 71.030000000000001 112.523 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.843 HG13 HG23 ' B' ' 39' ' ' VAL . 5.7 p -169.14 144.57 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 70.299999999999997 111.16 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.519 HG12 HG22 ' B' ' 40' ' ' VAL . 22.1 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 74.400000000000006 111.139 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.825 0.345 . . . . 63.340000000000003 110.858 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.3 79.43 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 53.350000000000001 111.122 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.43 ' CA ' ' HA2' ' G' ' 29' ' ' GLY . 2.2 mp0 -50.36 -53.47 28.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 61.210000000000001 110.881 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.52 ' CE1' ' HB2' ' G' ' 30' ' ' ALA . 0.4 OUTLIER -136.63 115.45 12.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 72.209999999999994 110.88 -179.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.67 109.0 14.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 75.239999999999995 110.867 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -110.0 113.21 25.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 63.420000000000002 110.859 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -122.07 101.21 7.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 74.140000000000001 110.837 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' C' ' 8' ' ' SER . 2.8 p -152.76 176.55 11.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 73.420000000000002 110.909 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.41 -3.83 47.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.725 -0.75 . . . . 73.239999999999995 112.493 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.439 ' HD1' HG13 ' B' ' 12' ' ' VAL . 1.3 t80 -172.39 116.13 0.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.855 0.36 . . . . 65.420000000000002 110.951 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -107.96 118.44 36.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 62.439999999999998 110.903 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.694 HG12 HG22 ' C' ' 12' ' ' VAL . 18.0 m -132.6 132.38 59.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 75.439999999999998 111.105 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -129.69 118.6 22.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 61.509999999999998 110.879 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 -125.84 120.46 30.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 61.25 110.879 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -123.2 133.1 54.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 73.25 110.901 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.498 ' O ' HD22 ' B' ' 17' ' ' LEU . 12.3 tptm -125.09 115.74 20.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 74.219999999999999 110.878 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.541 HD13 ' HB2' ' A' ' 17' ' ' LEU . 4.1 mm? -122.41 110.12 15.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 75.030000000000001 110.913 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.713 HG12 ' CG2' ' C' ' 18' ' ' VAL . 35.1 m -120.16 121.75 66.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 62.409999999999997 111.142 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.678 ' CE2' HD23 ' C' ' 34' ' ' LEU . 2.7 m-85 -114.92 131.36 56.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 65.109999999999999 110.861 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.412 ' HZ ' HG22 ' B' ' 31' ' ' ILE . 1.9 m-85 62.68 65.38 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 74.219999999999999 110.87 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.99 113.46 27.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 75.120000000000005 111.102 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 64.47 110.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 62.399999999999999 110.89 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.671 HG21 ' ND2' ' B' ' 27' ' ' ASN . 6.7 p -151.43 133.4 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 71.340000000000003 111.131 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.72 -72.23 0.72 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.713 -0.756 . . . . 73.200000000000003 112.511 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -144.59 124.01 13.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 60.119999999999997 110.895 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.671 ' ND2' HG21 ' B' ' 24' ' ' VAL . 2.3 m120 -98.74 115.45 28.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 73.340000000000003 110.889 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -114.95 165.79 12.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 70.129999999999995 110.886 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.7 -147.55 11.08 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.708 -0.758 . . . . 72.450000000000003 112.512 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.473 ' HB2' ' CE1' ' G' ' 4' ' ' PHE . . . -87.64 114.59 24.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.755 0.312 . . . . 55.539999999999999 111.132 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.423 HG23 ' HB ' ' A' ' 31' ' ' ILE . 0.8 OUTLIER -123.95 125.28 70.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 52.43 111.106 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.504 HG21 ' HB2' ' B' ' 35' ' ' MET . 3.3 mp -127.67 118.95 50.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 71.510000000000005 111.141 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.29 -27.9 24.08 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 64.030000000000001 112.501 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.886 HD12 HD22 ' C' ' 34' ' ' LEU . 2.6 tm? -152.37 107.56 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 44.329999999999998 110.894 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.504 ' HB2' HG21 ' B' ' 32' ' ' ILE . 2.9 ttp -124.89 125.62 44.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 72.450000000000003 110.857 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 38.3 t -115.43 112.1 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 73.409999999999997 111.146 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.3 25.48 26.35 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 65.319999999999993 112.482 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.2 -172.91 46.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.707 -0.759 . . . . 75.120000000000005 112.521 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.873 HG13 HG23 ' C' ' 39' ' ' VAL . 4.4 p -169.25 144.18 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 64.140000000000001 111.092 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.52 HG12 HG22 ' C' ' 40' ' ' VAL . 21.6 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 43.009999999999998 111.095 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.796 0.331 . . . . 72.219999999999999 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.55 78.95 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.443 . . . . 52.409999999999997 111.137 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . 0.44 ' CA ' ' HA2' ' H' ' 29' ' ' GLY . 2.3 mp0 -51.44 -53.99 31.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 75.140000000000001 110.878 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . 0.505 ' CE1' ' HB2' ' H' ' 30' ' ' ALA . 0.4 OUTLIER -137.19 115.35 11.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 60.340000000000003 110.879 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.76 108.94 14.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.498 . . . . 72.230000000000004 110.839 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -110.59 112.82 24.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 71.299999999999997 110.844 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -120.58 101.29 7.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 74.420000000000002 110.893 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . 0.435 ' O ' ' HA ' ' D' ' 8' ' ' SER . 2.8 p -152.82 176.35 11.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 73.430000000000007 110.862 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.29 -3.95 44.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 64.519999999999996 112.46 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . 0.409 ' HD1' HG13 ' C' ' 12' ' ' VAL . 1.3 t80 -172.41 115.59 0.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.842 0.353 . . . . 71.040000000000006 110.902 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -108.39 119.45 39.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 73.310000000000002 110.893 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.711 HG12 HG22 ' D' ' 12' ' ' VAL . 17.5 m -131.88 132.59 61.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 74.140000000000001 111.16 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -130.32 118.51 21.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 65.230000000000004 110.898 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -124.98 121.41 34.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 71.109999999999999 110.826 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -124.35 133.03 53.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 73.420000000000002 110.944 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.515 ' O ' HD22 ' C' ' 17' ' ' LEU . 12.3 tptm -124.86 115.74 21.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 71.540000000000006 110.878 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.524 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.1 mm? -122.83 110.53 15.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 64.349999999999994 110.911 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.713 ' CG2' HG12 ' B' ' 18' ' ' VAL . 35.2 m -120.95 122.56 68.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 75.219999999999999 111.078 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.702 ' CE2' HD23 ' D' ' 34' ' ' LEU . 2.3 m-85 -113.97 130.63 56.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 74.409999999999997 110.884 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.405 ' HZ ' HG22 ' C' ' 31' ' ' ILE . 2.2 m-85 62.0 66.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 64.510000000000005 110.813 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.0 114.0 27.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 74.109999999999999 111.067 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 64.46 109.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 64.519999999999996 110.842 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.693 HG21 ' ND2' ' C' ' 27' ' ' ASN . 6.5 p -151.32 133.05 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 65.329999999999998 111.103 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.39 -71.64 0.83 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 22.32 112.51 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -144.94 123.67 12.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.931 0.396 . . . . 64.319999999999993 110.855 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.693 ' ND2' HG21 ' C' ' 24' ' ' VAL . 2.2 m120 -98.24 115.82 29.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 71.150000000000006 110.878 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -114.91 165.87 12.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 73.519999999999996 110.858 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.9 -147.35 12.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 72.409999999999997 112.446 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.483 ' HB2' ' CE1' ' H' ' 4' ' ' PHE . . . -88.18 114.54 24.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 73.329999999999998 111.065 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.445 ' HB ' HG23 ' D' ' 31' ' ' ILE . 0.8 OUTLIER -123.87 124.52 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 75.120000000000005 111.171 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.486 HG21 ' HB2' ' C' ' 35' ' ' MET . 3.2 mp -127.29 117.69 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 71.530000000000001 111.104 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.48 -26.96 26.25 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 51.340000000000003 112.443 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.908 HD12 HD22 ' D' ' 34' ' ' LEU . 2.9 tm? -152.03 106.93 3.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.834 0.349 . . . . 71.230000000000004 110.937 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.486 ' HB2' HG21 ' C' ' 32' ' ' ILE . 2.9 ttp -124.54 124.67 42.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 73.030000000000001 110.865 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 39.8 t -115.63 111.47 35.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.253 -0.43 . . . . 73.140000000000001 111.089 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.95 25.48 23.85 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.743 . . . . 33.210000000000001 112.516 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.51 -172.47 45.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 31.239999999999998 112.476 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.876 HG13 HG23 ' D' ' 39' ' ' VAL . 4.4 p -169.25 144.33 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.367 . . . . 71.209999999999994 111.14 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.556 HG12 HG22 ' D' ' 40' ' ' VAL . 21.2 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 54.009999999999998 111.149 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.832 0.349 . . . . 71.200000000000003 110.88 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.23 79.45 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 75.040000000000006 111.124 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 3' ' ' GLU . . . . . 0.441 ' CA ' ' HA2' ' I' ' 29' ' ' GLY . 2.4 mp0 -52.24 -53.99 36.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 70.450000000000003 110.852 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 4' ' ' PHE . . . . . 0.522 ' CE1' ' HB2' ' I' ' 30' ' ' ALA . 0.4 OUTLIER -137.23 115.22 11.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 73.340000000000003 110.923 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.46 108.8 14.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 65.129999999999995 110.854 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -110.68 112.51 24.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 74.219999999999999 110.877 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -119.48 101.35 7.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 71.409999999999997 110.82 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' C' ' 8' ' ' SER . 2.7 p -153.38 174.96 13.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 73.310000000000002 110.889 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.01 -4.19 44.99 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.748 -0.739 . . . . 73.340000000000003 112.462 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.17 115.71 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.823 0.344 . . . . 71.420000000000002 110.922 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -110.39 120.41 42.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 75.329999999999998 110.862 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . 0.775 HG12 HG22 ' E' ' 12' ' ' VAL . 19.7 m -131.11 132.45 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 71.219999999999999 111.12 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -130.22 117.41 19.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 64.299999999999997 110.876 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -123.4 122.0 37.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 72.120000000000005 110.894 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -124.94 133.39 53.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 71.349999999999994 110.928 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . 0.53 ' O ' HD22 ' D' ' 17' ' ' LEU . 12.4 tptm -124.52 115.52 21.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 55.509999999999998 110.912 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.53 HD22 ' O ' ' D' ' 16' ' ' LYS . 4.0 mm? -123.48 110.74 15.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 52.399999999999999 110.889 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.712 HG12 ' CG2' ' E' ' 18' ' ' VAL . 35.3 m -121.0 123.25 69.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 53.299999999999997 111.099 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.681 ' CE2' HD23 ' E' ' 34' ' ' LEU . 2.1 m-85 -112.43 129.2 56.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 75.120000000000005 110.868 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 61.54 67.35 0.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 74.409999999999997 110.895 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.37 114.31 28.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 63.240000000000002 111.103 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 64.44 108.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 34.43 110.852 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.706 HG21 ' ND2' ' D' ' 27' ' ' ASN . 7.2 p -151.37 132.35 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 73.450000000000003 111.101 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.84 -71.42 0.87 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.765 -0.731 . . . . 34.299999999999997 112.471 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -144.56 123.58 12.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 75.540000000000006 110.868 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.706 ' ND2' HG21 ' D' ' 24' ' ' VAL . 2.2 m120 -97.97 115.57 28.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 74.310000000000002 110.894 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -114.88 165.73 12.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 71.329999999999998 110.911 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.06 -147.74 11.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 42.530000000000001 112.518 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.47 ' HB2' ' CE1' ' I' ' 4' ' ' PHE . . . -88.4 113.92 24.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.768 0.318 . . . . 71.409999999999997 111.122 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.445 HG23 ' HB ' ' C' ' 31' ' ' ILE . 0.7 OUTLIER -123.83 124.38 69.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 74.349999999999994 111.137 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.453 HG21 ' HB2' ' D' ' 35' ' ' MET . 3.3 mp -127.92 117.54 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 71.030000000000001 111.157 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.35 -26.56 25.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 33.240000000000002 112.483 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.963 HD12 HD22 ' E' ' 34' ' ' LEU . 3.1 tm? -150.19 106.26 3.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.834 0.349 . . . . 74.219999999999999 110.904 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.453 ' HB2' HG21 ' D' ' 32' ' ' ILE . 3.0 ttp -124.59 123.46 40.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 61.399999999999999 110.865 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 40.6 t -115.44 110.98 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 75.420000000000002 111.151 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.59 25.55 21.45 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.715 -0.755 . . . . 63.219999999999999 112.481 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.62 -172.03 45.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 54.340000000000003 112.476 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.876 HG23 HG13 ' C' ' 39' ' ' VAL . 4.2 p -169.22 144.22 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.911 0.386 . . . . 75.319999999999993 111.111 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.556 HG22 HG12 ' C' ' 40' ' ' VAL . 21.8 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 74.109999999999999 111.093 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.85 0.357 . . . . 74.530000000000001 110.846 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.71 82.62 1.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 74.329999999999998 111.084 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 3' ' ' GLU . . . . . 0.447 ' CA ' ' HA2' ' J' ' 29' ' ' GLY . 2.4 mp0 -51.31 -53.99 30.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 74.329999999999998 110.907 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 4' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' J' ' 30' ' ' ALA . 0.4 OUTLIER -135.52 115.7 13.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 70.450000000000003 110.885 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.3 108.21 14.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 75.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -111.22 112.95 25.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 65.430000000000007 110.854 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -117.6 100.76 7.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 65.120000000000005 110.899 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 2.7 p -155.35 170.04 22.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 73.200000000000003 110.869 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.95 -2.85 45.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 62.329999999999998 112.474 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -169.82 112.65 0.48 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.793 0.33 . . . . 62.130000000000003 110.931 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -113.29 120.08 39.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 73.200000000000003 110.906 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 12' ' ' VAL . . . . . 0.775 HG22 HG12 ' D' ' 12' ' ' VAL . 21.4 m -129.93 132.97 65.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 75.230000000000004 111.149 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -130.02 116.24 18.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 71.510000000000005 110.839 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 -120.92 121.85 38.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 64.140000000000001 110.868 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -124.17 134.34 53.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 73.140000000000001 110.944 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . 0.521 ' O ' HD22 ' E' ' 17' ' ' LEU . 12.3 tptm -124.66 115.3 20.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 75.230000000000004 110.926 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.521 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.2 mm? -124.4 109.27 13.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 72.010000000000005 110.907 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.712 ' CG2' HG12 ' D' ' 18' ' ' VAL . 27.2 m -119.09 123.9 72.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 71.230000000000004 111.098 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.494 ' HE1' HD12 ' E' ' 17' ' ' LEU . 1.7 m-85 -111.42 127.97 55.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 75.329999999999998 110.887 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 60.36 68.47 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 75.409999999999997 110.905 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.89 114.87 29.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 74.439999999999998 111.099 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 64.41 108.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 64.430000000000007 110.86 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.716 HG21 ' ND2' ' E' ' 27' ' ' ASN . 7.6 p -151.62 131.61 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 52.140000000000001 111.089 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.63 -71.55 0.85 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 71.129999999999995 112.49 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -144.21 123.24 12.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 41.439999999999998 110.851 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.716 ' ND2' HG21 ' E' ' 24' ' ' VAL . 2.3 m120 -97.78 115.23 27.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 75.540000000000006 110.913 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -114.75 165.34 12.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 53.43 110.886 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.13 -147.1 13.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 33.100000000000001 112.44 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.479 ' HB2' ' CE1' ' J' ' 4' ' ' PHE . . . -88.45 113.93 24.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 62.020000000000003 111.117 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -123.43 124.4 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 63.039999999999999 111.12 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.434 HG21 ' HB2' ' E' ' 35' ' ' MET . 3.2 mp -129.28 116.12 38.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 74.129999999999995 111.142 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.12 -22.91 31.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 71.5 112.481 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.963 HD22 HD12 ' D' ' 34' ' ' LEU . 3.4 tm? -151.44 106.09 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 63.229999999999997 110.899 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.434 ' HB2' HG21 ' E' ' 32' ' ' ILE . 2.9 ttp -126.09 124.77 41.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 64.400000000000006 110.902 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 29.2 t -118.55 110.22 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 72.349999999999994 111.098 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.85 24.64 27.29 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 74.209999999999994 112.519 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.13 -172.54 44.78 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.727 -0.749 . . . . 63.409999999999997 112.464 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.869 HG23 HG13 ' D' ' 39' ' ' VAL . 4.5 p -169.27 144.14 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 74.329999999999998 111.097 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.493 HG22 HG12 ' D' ' 40' ' ' VAL . 21.9 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 74.420000000000002 111.135 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.813 0.339 . . . . 34.43 110.902 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.31 79.34 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 32.210000000000001 111.1 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -51.92 -53.81 36.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 74.349999999999994 110.886 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 4' ' ' PHE . . . . . 0.447 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -137.34 115.52 11.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 55.240000000000002 110.875 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.04 109.08 14.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 72.140000000000001 110.879 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -110.25 112.02 23.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 55.009999999999998 110.835 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -121.07 101.98 8.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 61.219999999999999 110.853 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 2.7 p -151.62 176.63 11.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 60.509999999999998 110.898 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.83 -2.36 49.32 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.728 -0.749 . . . . 51.030000000000001 112.458 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . 0.46 ' HD1' HG13 ' F' ' 12' ' ' VAL . 1.3 t80 -172.14 118.55 0.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.883 0.373 . . . . 74.030000000000001 110.907 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -108.23 118.49 36.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 73.019999999999996 110.824 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.703 HG12 HG22 ' G' ' 12' ' ' VAL . 19.9 m -135.31 132.72 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 72.310000000000002 111.116 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -131.5 115.57 16.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 64.430000000000007 110.847 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -124.56 119.65 29.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 73.450000000000003 110.884 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -121.84 133.11 54.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 72.430000000000007 110.896 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . 0.443 ' O ' HD22 ' F' ' 17' ' ' LEU . 12.2 tptm -124.9 115.42 20.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 61.210000000000001 110.92 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.508 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.2 mm? -121.76 109.15 14.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 72.400000000000006 110.924 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.716 HG12 ' CG2' ' G' ' 18' ' ' VAL . 35.4 m -118.75 122.65 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 75.109999999999999 111.152 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.601 ' CE2' HD23 ' G' ' 34' ' ' LEU . 4.7 m-85 -117.66 131.3 56.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 73.230000000000004 110.871 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 63.57 64.5 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 61.210000000000001 110.885 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.27 112.68 25.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 60.219999999999999 111.121 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 64.79 110.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 72.340000000000003 110.885 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.69 HG21 ' ND2' ' F' ' 27' ' ' ASN . 7.0 p -151.07 134.23 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 75.510000000000005 111.146 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.63 -73.92 0.5 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 71.400000000000006 112.499 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -143.45 123.32 13.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.914 0.388 . . . . 63.130000000000003 110.831 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . 0.69 ' ND2' HG21 ' F' ' 24' ' ' VAL . 2.3 m120 -98.73 114.75 27.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 74.120000000000005 110.915 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -113.99 167.65 10.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 72.310000000000002 110.929 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . 0.463 ' HA2' ' CA ' ' A' ' 3' ' ' GLU . . . 50.42 -150.48 5.6 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.743 -0.741 . . . . 53.32 112.491 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.468 ' HB2' ' CE1' ' A' ' 4' ' ' PHE . . . -85.89 113.36 21.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.8 0.333 . . . . 74.519999999999996 111.07 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.41 129.4 75.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 74.420000000000002 111.11 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.55 HG21 ' HB2' ' F' ' 35' ' ' MET . 3.4 mp -127.79 119.35 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 72.150000000000006 111.171 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.92 -30.15 26.86 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.759 -0.734 . . . . 71.409999999999997 112.491 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.628 HD12 HD22 ' G' ' 34' ' ' LEU . 2.1 tm? -156.15 109.77 2.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 73.540000000000006 110.917 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . 0.55 ' HB2' HG21 ' F' ' 32' ' ' ILE . 2.8 ttp -124.54 127.6 47.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 75.510000000000005 110.894 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 39.3 t -114.54 112.22 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 65.25 111.109 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.48 24.98 26.0 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.783 -0.723 . . . . 74.010000000000005 112.495 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.06 -173.63 47.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.783 -0.722 . . . . 62.020000000000003 112.498 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.857 HG13 HG23 ' G' ' 39' ' ' VAL . 5.7 p -169.57 145.39 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 73.120000000000005 111.165 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.489 HG12 HG22 ' G' ' 40' ' ' VAL . 22.0 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 62.119999999999997 111.16 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.814 0.34 . . . . 74.540000000000006 110.901 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.05 79.76 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.510000000000005 111.113 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -51.0 -53.26 34.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 73.450000000000003 110.908 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 4' ' ' PHE . . . . . 0.473 ' CE1' ' HB2' ' B' ' 30' ' ' ALA . 0.4 OUTLIER -136.29 115.6 12.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 72.209999999999994 110.89 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.54 108.97 14.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 74.129999999999995 110.862 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -110.02 112.71 24.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 72.450000000000003 110.839 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -121.59 101.37 7.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 73.239999999999995 110.833 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . 0.43 ' O ' ' HA ' ' H' ' 8' ' ' SER . 2.8 p -152.76 176.32 11.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 65.400000000000006 110.832 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.49 -3.9 46.8 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.692 -0.766 . . . . 54.32 112.463 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . 0.432 ' HD1' HG13 ' G' ' 12' ' ' VAL . 1.3 t80 -172.44 115.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 64.129999999999995 110.913 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -107.46 118.28 36.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 75.319999999999993 110.892 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . 0.708 HG12 HG22 ' H' ' 12' ' ' VAL . 19.1 m -132.17 132.31 60.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 72.340000000000003 111.131 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -129.83 118.59 22.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 64.319999999999993 110.796 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -126.15 119.94 28.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 71.420000000000002 110.869 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -122.88 133.09 54.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 74.109999999999999 110.948 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . 0.484 ' O ' HD22 ' G' ' 17' ' ' LEU . 12.3 tptm -125.19 115.7 20.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 71.200000000000003 110.904 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.508 HD13 ' HB2' ' F' ' 17' ' ' LEU . 4.1 mm? -122.21 109.62 14.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 72.099999999999994 110.905 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.716 ' CG2' HG12 ' F' ' 18' ' ' VAL . 34.9 m -119.68 122.13 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 53.509999999999998 111.148 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.666 ' CE2' HD23 ' H' ' 34' ' ' LEU . 2.9 m-85 -115.18 131.09 57.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 63.43 110.916 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 0.421 ' HZ ' HG22 ' G' ' 31' ' ' ILE . 1.8 m-85 62.59 65.5 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 71.439999999999998 110.877 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.65 113.1 26.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 40.340000000000003 111.153 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 64.81 110.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 73.040000000000006 110.852 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.712 HG21 ' ND2' ' G' ' 27' ' ' ASN . 6.6 p -151.42 133.48 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 74.329999999999998 111.103 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.38 -72.35 0.71 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 55.530000000000001 112.493 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -143.94 124.06 13.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 74.409999999999997 110.836 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . 0.712 ' ND2' HG21 ' G' ' 24' ' ' VAL . 2.3 m120 -99.6 114.71 27.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 75.439999999999998 110.929 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -114.33 167.72 10.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 74.239999999999995 110.885 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . 0.43 ' HA2' ' CA ' ' B' ' 3' ' ' GLU . . . 50.61 -149.48 6.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.809 -0.71 . . . . 73.400000000000006 112.441 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.52 ' HB2' ' CE1' ' B' ' 4' ' ' PHE . . . -86.33 114.37 23.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.769 0.319 . . . . 75.450000000000003 111.088 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.427 ' HB ' HG23 ' H' ' 31' ' ' ILE . 0.8 OUTLIER -123.36 127.42 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 71.349999999999994 111.147 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.529 HG21 ' HB2' ' G' ' 35' ' ' MET . 3.4 mp -128.02 119.14 50.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 74.310000000000002 111.167 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.8 -29.45 20.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 61.119999999999997 112.467 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.863 HD12 HD22 ' H' ' 34' ' ' LEU . 2.7 tm? -152.96 107.96 3.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.826 0.346 . . . . 63.549999999999997 110.912 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.529 ' HB2' HG21 ' G' ' 32' ' ' ILE . 2.8 ttp -124.02 125.2 44.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 63.450000000000003 110.855 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 39.6 t -115.04 111.12 34.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 73.140000000000001 111.14 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.81 25.2 29.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 32.109999999999999 112.473 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.49 -173.37 47.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 75.209999999999994 112.483 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.879 HG13 HG23 ' H' ' 39' ' ' VAL . 4.4 p -169.55 145.17 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 73.310000000000002 111.173 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.598 HG12 HG22 ' H' ' 40' ' ' VAL . 22.0 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 73.150000000000006 111.184 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.816 0.341 . . . . 73.340000000000003 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.75 79.19 1.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 64.120000000000005 111.112 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -51.49 -53.64 35.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 72.129999999999995 110.854 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 4' ' ' PHE . . . . . 0.483 ' CE1' ' HB2' ' C' ' 30' ' ' ALA . 0.4 OUTLIER -136.78 115.56 12.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 61.229999999999997 110.846 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.57 109.01 14.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 62.009999999999998 110.881 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -110.68 111.74 23.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 74.040000000000006 110.857 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -119.99 101.53 7.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 70.040000000000006 110.813 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . 0.439 ' O ' ' HA ' ' I' ' 8' ' ' SER . 2.7 p -153.05 176.06 12.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 72.409999999999997 110.86 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.09 -4.25 44.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.763 -0.732 . . . . 44.130000000000003 112.504 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . 0.406 ' HD1' HG13 ' H' ' 12' ' ' VAL . 1.3 t80 -172.41 115.68 0.32 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 54.539999999999999 110.907 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -108.26 119.15 38.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 73.540000000000006 110.882 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 0.71 HG12 HG22 ' I' ' 12' ' ' VAL . 18.7 m -131.44 132.58 62.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 75.219999999999999 111.129 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -130.2 118.65 21.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 71.299999999999997 110.867 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -125.41 120.32 30.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 72.349999999999994 110.87 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -123.55 132.94 54.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 72.109999999999999 110.9 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . 0.506 ' O ' HD22 ' H' ' 17' ' ' LEU . 12.3 tptm -124.82 115.78 21.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 73.450000000000003 110.903 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.507 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.1 mm? -122.81 109.98 14.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 74.150000000000006 110.922 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.712 ' CG2' HG12 ' G' ' 18' ' ' VAL . 34.6 m -120.53 123.02 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 71.230000000000004 111.16 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.699 ' CE2' HD23 ' I' ' 34' ' ' LEU . 2.4 m-85 -114.28 130.31 56.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 73.109999999999999 110.859 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 62.08 66.49 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 64.310000000000002 110.906 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.54 113.75 27.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 62.130000000000003 111.091 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 64.6 109.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 74.340000000000003 110.848 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.722 HG21 ' ND2' ' H' ' 27' ' ' ASN . 6.3 p -151.52 133.02 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 53.509999999999998 111.131 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.55 -71.84 0.8 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 63.149999999999999 112.472 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -144.23 123.59 13.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.899 0.381 . . . . 64.209999999999994 110.844 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . 0.722 ' ND2' HG21 ' H' ' 24' ' ' VAL . 2.2 m120 -98.71 114.73 27.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 72.310000000000002 110.856 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -114.4 167.41 10.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 71.510000000000005 110.902 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . 0.44 ' HA2' ' CA ' ' C' ' 3' ' ' GLU . . . 50.8 -149.46 6.84 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 74.120000000000005 112.508 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . 0.505 ' HB2' ' CE1' ' C' ' 4' ' ' PHE . . . -86.76 114.55 23.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.754 0.312 . . . . 70.120000000000005 111.068 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.443 ' HB ' HG23 ' I' ' 31' ' ' ILE . 0.7 OUTLIER -123.84 126.18 72.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 64.120000000000005 111.137 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . 0.489 HG21 ' HB2' ' H' ' 35' ' ' MET . 3.3 mp -128.23 117.66 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 71.239999999999995 111.139 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.39 -28.4 22.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 53.439999999999998 112.545 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.924 HD12 HD22 ' I' ' 34' ' ' LEU . 2.9 tm? -151.08 107.49 3.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.347 . . . . 65.140000000000001 110.881 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . 0.489 ' HB2' HG21 ' H' ' 32' ' ' ILE . 2.9 ttp -124.76 123.98 41.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 53.219999999999999 110.861 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 39.5 t -114.34 111.08 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 75.439999999999998 111.121 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.69 25.59 22.34 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.779 -0.724 . . . . 43.450000000000003 112.494 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.33 -172.95 47.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 44.140000000000001 112.474 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.879 HG23 HG13 ' G' ' 39' ' ' VAL . 4.5 p -169.58 145.01 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.844 0.354 . . . . 64.439999999999998 111.177 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . 0.598 HG22 HG12 ' G' ' 40' ' ' VAL . 22.4 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 72.430000000000007 111.11 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.804 0.335 . . . . 74.340000000000003 110.894 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.41 78.75 1.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 75.430000000000007 111.135 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -51.74 -53.56 38.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 43.200000000000003 110.913 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 4' ' ' PHE . . . . . 0.47 ' CE1' ' HB2' ' D' ' 30' ' ' ALA . 0.4 OUTLIER -136.43 115.39 12.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 73.140000000000001 110.827 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.22 108.92 14.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 74.340000000000003 110.867 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -111.27 111.33 22.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 65.200000000000003 110.866 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -119.05 101.52 8.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 73.230000000000004 110.864 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . 0.439 ' HA ' ' O ' ' H' ' 8' ' ' SER . 2.7 p -153.36 174.75 13.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 42.420000000000002 110.87 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.33 -3.89 44.11 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 71.150000000000006 112.477 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.2 115.15 0.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.853 0.358 . . . . 73.549999999999997 110.913 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -109.59 120.09 41.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 64.040000000000006 110.919 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 12' ' ' VAL . . . . . 0.746 HG12 HG22 ' J' ' 12' ' ' VAL . 19.7 m -131.2 132.45 63.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 72.239999999999995 111.107 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -130.54 117.6 19.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 73.209999999999994 110.866 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -123.64 121.15 34.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 70.430000000000007 110.886 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -124.1 133.28 53.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 71.040000000000006 110.885 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . 0.525 ' O ' HD22 ' I' ' 17' ' ' LEU . 12.4 tptm -124.55 115.9 21.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 53.509999999999998 110.905 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.525 HD22 ' O ' ' I' ' 16' ' ' LYS . 4.1 mm? -123.69 110.32 14.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 72.329999999999998 110.955 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . 0.714 HG12 ' CG2' ' J' ' 18' ' ' VAL . 34.9 m -120.84 123.66 70.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 72.549999999999997 111.087 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . 0.686 ' CE2' HD23 ' J' ' 34' ' ' LEU . 2.2 m-85 -112.88 129.0 56.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 75.040000000000006 110.877 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 61.63 67.54 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 61.539999999999999 110.906 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.48 114.61 28.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 72.239999999999995 111.073 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 64.37 109.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 74.519999999999996 110.854 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.721 HG21 ' ND2' ' I' ' 27' ' ' ASN . 7.0 p -151.75 132.86 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 71.409999999999997 111.181 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.43 -70.89 0.98 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.749 -0.739 . . . . 73.030000000000001 112.511 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -144.63 123.27 12.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 74.420000000000002 110.828 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . 0.721 ' ND2' HG21 ' I' ' 24' ' ' VAL . 2.3 m120 -98.17 114.31 26.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 70.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -114.41 167.34 10.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 65.040000000000006 110.902 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . 0.441 ' HA2' ' CA ' ' D' ' 3' ' ' GLU . . . 51.09 -149.59 7.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 73.439999999999998 112.538 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.522 ' HB2' ' CE1' ' D' ' 4' ' ' PHE . . . -87.23 113.83 23.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.819 0.342 . . . . 72.25 111.054 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.443 HG23 ' HB ' ' H' ' 31' ' ' ILE . 0.6 OUTLIER -123.7 125.84 71.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 70.040000000000006 111.146 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . 0.457 HG21 ' HB2' ' I' ' 35' ' ' MET . 3.4 mp -128.28 117.58 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 70.200000000000003 111.162 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.52 -27.6 21.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 61.140000000000001 112.479 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.955 HD12 HD22 ' J' ' 34' ' ' LEU . 3.1 tm? -149.82 106.35 3.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 74.129999999999995 110.947 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . 0.457 ' HB2' HG21 ' I' ' 32' ' ' ILE . 2.9 ttp -123.78 123.26 40.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 45.530000000000001 110.854 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 39.6 t -115.09 110.29 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 74.409999999999997 111.125 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.37 25.52 19.83 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 71.420000000000002 112.524 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.01 -172.48 46.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 62.439999999999998 112.478 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 0.876 HG23 HG13 ' H' ' 39' ' ' VAL . 4.5 p -169.53 145.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.912 0.387 . . . . 74.219999999999999 111.152 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . 0.52 HG22 HG12 ' H' ' 40' ' ' VAL . 21.9 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 71.420000000000002 111.125 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.824 0.345 . . . . 74.310000000000002 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.58 78.92 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 52.310000000000002 111.092 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -51.82 -53.67 37.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 70.109999999999999 110.894 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 4' ' ' PHE . . . . . 0.479 ' CE1' ' HB2' ' E' ' 30' ' ' ALA . 0.4 OUTLIER -135.67 115.63 13.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 75.120000000000005 110.887 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.79 108.54 14.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 74.219999999999999 110.871 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -111.41 111.82 23.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 63.340000000000003 110.83 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -117.91 101.11 8.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 51.32 110.861 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -155.6 169.17 24.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 73.140000000000001 110.885 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.8 -2.84 46.25 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 74.430000000000007 112.455 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -169.69 111.86 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.894 0.378 . . . . 63.140000000000001 110.895 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -112.21 120.07 40.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 71.329999999999998 110.868 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.746 HG22 HG12 ' I' ' 12' ' ' VAL . 21.6 m -130.22 132.84 64.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 62.140000000000001 111.135 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -129.81 116.71 19.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 72.109999999999999 110.811 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -121.59 121.33 37.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 74.340000000000003 110.808 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -123.98 134.28 53.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 73.140000000000001 110.901 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . 0.521 ' O ' HD22 ' J' ' 17' ' ' LEU . 12.2 tptm -124.77 115.44 20.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 74.340000000000003 110.928 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.521 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.2 mm? -124.31 108.92 12.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 72.319999999999993 110.915 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.714 ' CG2' HG12 ' I' ' 18' ' ' VAL . 27.2 m -119.05 124.06 72.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 72.140000000000001 111.142 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.496 ' HE1' HD12 ' J' ' 17' ' ' LEU . 1.8 m-85 -111.6 127.5 55.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 74.140000000000001 110.866 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 60.47 68.56 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 71.409999999999997 110.917 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.85 115.33 30.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 52.130000000000003 111.145 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 64.23 108.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 74.299999999999997 110.867 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.727 HG21 ' ND2' ' J' ' 27' ' ' ASN . 7.6 p -151.6 132.56 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 73.25 111.143 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.5 -71.18 0.93 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 61.109999999999999 112.467 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -143.78 122.86 12.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.38 . . . . 72.310000000000002 110.865 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . 0.727 ' ND2' HG21 ' J' ' 24' ' ' VAL . 2.3 m120 -98.08 113.15 24.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 72.140000000000001 110.915 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -114.51 167.14 10.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 72.420000000000002 110.921 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . 0.447 ' HA2' ' CA ' ' E' ' 3' ' ' GLU . . . 51.66 -149.27 8.63 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 62.25 112.462 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 0.534 ' HB2' ' CE1' ' E' ' 4' ' ' PHE . . . -87.49 113.42 23.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.307 . . . . 63.009999999999998 111.136 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -123.23 126.5 73.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 70.540000000000006 111.117 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . 0.454 HG21 ' HB2' ' J' ' 35' ' ' MET . 3.4 mp -130.15 116.32 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 74.409999999999997 111.104 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.03 -24.48 27.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 55.210000000000001 112.445 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.955 HD22 HD12 ' I' ' 34' ' ' LEU . 3.4 tm? -150.75 106.05 3.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.822 0.344 . . . . 74.420000000000002 110.957 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . 0.454 ' HB2' HG21 ' J' ' 32' ' ' ILE . 2.9 ttp -124.96 124.27 41.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 61.43 110.841 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 38.4 t -118.05 109.82 28.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 61.219999999999999 111.125 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.63 24.75 26.15 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 54.140000000000001 112.514 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.7 -173.35 45.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 22.510000000000002 112.527 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.867 HG23 HG13 ' I' ' 39' ' ' VAL . 4.4 p -169.56 145.02 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 73.040000000000006 111.101 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.438 HG22 HG12 ' I' ' 40' ' ' VAL . 22.6 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 74.519999999999996 111.146 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.796 0.331 . . . . 70.209999999999994 110.862 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.09 86.66 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 74.129999999999995 111.103 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.74 -30.13 30.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 74.519999999999996 110.953 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.646 ' CE2' ' HB2' ' F' ' 30' ' ' ALA . 0.3 OUTLIER -161.39 114.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 63.340000000000003 110.886 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -135.6 108.99 7.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 51.109999999999999 110.885 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -109.46 128.82 55.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 72.430000000000007 110.82 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -133.43 101.95 5.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 74.450000000000003 110.883 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.4 t -147.61 176.68 9.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 72.299999999999997 110.879 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.33 -10.07 56.2 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.749 . . . . 63.219999999999999 112.497 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -172.47 116.91 0.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 53.0 110.942 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -102.12 119.02 38.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 64.010000000000005 110.882 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.493 HG23 HG13 ' B' ' 12' ' ' VAL . 4.2 p -139.4 118.56 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 74.439999999999998 111.108 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -117.11 114.09 23.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 71.230000000000004 110.846 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -119.34 122.62 42.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 74.030000000000001 110.867 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.31 134.36 46.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 72.450000000000003 110.88 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -132.49 119.59 20.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 72.340000000000003 110.885 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.581 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.4 mm? -121.39 110.49 16.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 73.209999999999994 110.91 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.606 ' CG1' ' HB2' ' A' ' 21' ' ' ALA . 88.1 t -113.48 112.21 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 73.319999999999993 111.134 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.556 ' HE1' HD12 ' A' ' 17' ' ' LEU . 7.7 m-85 -104.85 105.03 14.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 52.420000000000002 110.863 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.562 ' CE2' HG22 ' A' ' 31' ' ' ILE . 0.9 OUTLIER 64.14 89.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 52.009999999999998 110.924 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.606 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . . . -116.15 132.21 56.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.492 . . . . 74.219999999999999 111.066 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 62.37 90.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 73.010000000000005 110.881 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.595 HG13 HG23 ' B' ' 24' ' ' VAL . 6.1 p -129.38 130.7 67.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 62.229999999999997 111.138 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.68 -53.1 48.13 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 64.129999999999995 112.5 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.71 129.93 6.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.868 0.366 . . . . 71.340000000000003 110.873 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.593 ' HB3' HD12 ' B' ' 31' ' ' ILE . 18.9 m120 -95.97 106.94 19.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 71.420000000000002 110.856 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.723 ' O ' HD11 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -114.67 135.79 53.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 63.399999999999999 110.908 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.78 -149.76 38.6 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 73.430000000000007 112.512 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.697 ' O ' HD13 ' A' ' 31' ' ' ILE . . . -83.83 114.3 21.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.749 0.309 . . . . 70.150000000000006 111.127 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.723 HD11 ' O ' ' A' ' 28' ' ' LYS . 5.4 mm -126.87 114.86 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 74.129999999999995 111.15 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.491 HG21 ' CG ' ' A' ' 35' ' ' MET . 6.1 mt -134.68 121.23 34.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 64.099999999999994 111.113 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.65 -44.15 68.84 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 63.130000000000003 112.508 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.703 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -173.49 148.86 1.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 64.150000000000006 110.94 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.491 ' CG ' HG21 ' A' ' 32' ' ' ILE . 59.6 mtp -128.14 123.46 34.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 72.099999999999994 110.886 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.871 HG21 HG11 ' F' ' 36' ' ' VAL . 99.9 t -118.38 114.66 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 53.43 111.117 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.29 19.81 62.38 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 51.25 112.521 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.75 -162.84 29.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 71.120000000000005 112.483 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.887 HG13 HG23 ' B' ' 39' ' ' VAL . 7.6 p -169.26 136.83 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 75.420000000000002 111.126 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.429 HG12 ' CG2' ' B' ' 40' ' ' VAL . 16.4 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 53.420000000000002 111.171 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.764 0.316 . . . . 63.100000000000001 110.881 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.47 86.92 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 30.109999999999999 111.074 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.34 -29.14 22.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.209999999999994 110.897 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.636 ' CE2' ' HB2' ' G' ' 30' ' ' ALA . 0.3 OUTLIER -161.8 114.94 1.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 72.540000000000006 110.88 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -134.57 108.61 8.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 71.239999999999995 110.861 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -109.13 128.43 55.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 65.120000000000005 110.828 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -132.69 101.77 5.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 74.530000000000001 110.917 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' C' ' 8' ' ' SER . 2.5 t -147.44 176.02 10.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 61.329999999999998 110.858 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.49 -10.45 55.63 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 72.230000000000004 112.534 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -172.37 115.07 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 72.510000000000005 110.901 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -101.31 118.63 37.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 61.240000000000002 110.842 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.493 HG13 HG23 ' A' ' 12' ' ' VAL . 3.4 p -138.33 116.97 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 41.509999999999998 111.125 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -115.72 113.56 23.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 71.25 110.897 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -118.47 123.04 44.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 74.540000000000006 110.873 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.0 133.26 45.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 73.219999999999999 110.871 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.428 ' C ' HD22 ' B' ' 17' ' ' LEU . 7.6 tptm -127.16 122.11 33.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 61.520000000000003 110.904 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.649 ' HB2' HD13 ' C' ' 17' ' ' LEU . 4.5 mm? -121.35 108.8 14.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 65.519999999999996 110.938 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.455 ' CG1' ' HB2' ' B' ' 21' ' ' ALA . 91.5 t -112.3 113.3 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 71.129999999999995 111.091 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.555 ' CE1' HD12 ' B' ' 17' ' ' LEU . 6.4 m-85 -108.73 100.94 10.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 75.430000000000007 110.888 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.592 ' CE2' HG22 ' B' ' 31' ' ' ILE . 1.0 OUTLIER 63.92 89.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 71.420000000000002 110.868 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.455 ' HB2' ' CG1' ' B' ' 18' ' ' VAL . . . -115.53 131.37 56.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 72.549999999999997 111.146 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 61.85 90.78 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 64.010000000000005 110.947 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.626 HG13 HG23 ' C' ' 24' ' ' VAL . 5.7 p -128.62 130.89 69.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 73.049999999999997 111.174 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.94 -53.02 48.61 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.73 -0.748 . . . . 60.219999999999999 112.489 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.35 130.45 6.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 71.140000000000001 110.881 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.601 ' HB3' HD12 ' C' ' 31' ' ' ILE . 19.0 m120 -96.63 106.07 18.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 72.010000000000005 110.948 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.724 ' O ' HD11 ' B' ' 31' ' ' ILE . 0.7 OUTLIER -115.1 136.43 53.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 75.310000000000002 110.895 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.59 -149.29 36.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 70.430000000000007 112.496 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.714 ' O ' HD13 ' B' ' 31' ' ' ILE . . . -84.26 114.4 21.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.725 0.297 . . . . 71.239999999999995 111.066 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.724 HD11 ' O ' ' B' ' 28' ' ' LYS . 5.0 mm -127.26 116.56 44.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 74.349999999999994 111.138 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.409 HG21 ' HG2' ' B' ' 35' ' ' MET . 5.4 mt -134.3 124.02 44.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 70.299999999999997 111.097 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.56 -42.8 77.54 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 32.399999999999999 112.529 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.76 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -172.05 150.38 2.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.825 0.345 . . . . 71.310000000000002 110.936 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.473 ' CE ' HG13 ' B' ' 40' ' ' VAL . 50.2 mtp -127.7 124.46 37.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 62.539999999999999 110.872 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.683 HG21 HG11 ' G' ' 36' ' ' VAL . 98.3 t -126.78 112.83 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 73.420000000000002 111.082 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.27 19.12 59.25 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 75.340000000000003 112.507 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.17 -163.89 29.74 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.724 -0.751 . . . . 73.129999999999995 112.446 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.887 HG23 HG13 ' A' ' 39' ' ' VAL . 7.6 p -169.19 133.33 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 62.439999999999998 111.133 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.588 HG12 ' CG2' ' C' ' 40' ' ' VAL . 16.9 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 62.409999999999997 111.095 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.789 0.328 . . . . 70.530000000000001 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.95 86.48 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 24.41 111.129 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.63 -29.2 24.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 62.219999999999999 110.891 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . 0.622 ' CE2' ' HB2' ' H' ' 30' ' ' ALA . 0.3 OUTLIER -162.0 114.7 1.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 64.109999999999999 110.889 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -134.0 108.55 8.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 74.420000000000002 110.908 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -109.61 128.12 55.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 65.120000000000005 110.894 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -132.39 101.71 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 73.420000000000002 110.875 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' B' ' 8' ' ' SER . 2.6 t -147.35 175.5 10.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 72.230000000000004 110.838 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.85 -9.98 55.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 61.130000000000003 112.508 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -172.41 115.38 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.859 0.362 . . . . 74.430000000000007 110.914 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -101.86 119.28 38.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 71.099999999999994 110.926 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.5 HG23 HG13 ' D' ' 12' ' ' VAL . 3.8 p -138.09 117.67 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 75.010000000000005 111.126 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -116.4 113.44 22.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 73.109999999999999 110.823 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -117.81 123.72 46.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 54.130000000000003 110.851 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.29 132.98 44.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 71.349999999999994 110.898 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.474 ' C ' HD22 ' C' ' 17' ' ' LEU . 8.0 tptm -124.94 122.38 37.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 71.109999999999999 110.873 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.657 ' HB2' HD13 ' D' ' 17' ' ' LEU . 4.5 mm? -122.9 106.6 11.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 71.420000000000002 110.919 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.437 ' CG1' ' HB2' ' C' ' 21' ' ' ALA . 91.3 t -111.83 113.46 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 72.540000000000006 111.117 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.507 ' CE1' HD12 ' C' ' 17' ' ' LEU . 4.9 m-85 -108.37 99.52 8.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 72.430000000000007 110.91 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.591 ' CE2' HG22 ' C' ' 31' ' ' ILE . 1.0 OUTLIER 63.63 90.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 74.299999999999997 110.891 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 0.437 ' HB2' ' CG1' ' C' ' 18' ' ' VAL . . . -116.07 130.69 56.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 75.129999999999995 111.105 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 62.03 90.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 61.009999999999998 110.853 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.647 HG13 HG23 ' D' ' 24' ' ' VAL . 6.2 p -128.18 131.22 69.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 74.010000000000005 111.145 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.4 -52.89 48.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 42.420000000000002 112.51 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.41 130.77 6.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.868 0.366 . . . . 55.43 110.874 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.618 ' HB3' HD12 ' D' ' 31' ' ' ILE . 19.2 m120 -96.74 105.61 17.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 71.450000000000003 110.906 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.738 ' O ' HD11 ' C' ' 31' ' ' ILE . 0.7 OUTLIER -115.21 136.67 52.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 74.150000000000006 110.887 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.02 -149.85 36.63 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.702 -0.761 . . . . 74.099999999999994 112.542 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.71 ' O ' HD13 ' C' ' 31' ' ' ILE . . . -83.39 114.33 21.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.755 0.312 . . . . 63.340000000000003 111.101 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.738 HD11 ' O ' ' C' ' 28' ' ' LYS . 4.6 mm -127.4 116.88 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 74.420000000000002 111.142 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.42 HG21 ' HG2' ' C' ' 35' ' ' MET . 5.0 mt -133.24 124.05 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 74.200000000000003 111.137 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.54 -42.51 76.4 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 74.230000000000004 112.519 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.816 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -170.53 150.39 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 70.439999999999998 110.889 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.42 ' HG2' HG21 ' C' ' 32' ' ' ILE . 48.5 mtp -126.97 123.67 37.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 73.299999999999997 110.89 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.574 HG21 HG11 ' H' ' 36' ' ' VAL . 85.8 t -127.9 113.0 29.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 72.439999999999998 111.107 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.7 20.58 40.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 52.43 112.522 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.36 -164.6 32.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.785 -0.721 . . . . 74.329999999999998 112.544 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.719 HG23 HG13 ' B' ' 39' ' ' VAL . 7.6 p -168.64 133.38 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 72.219999999999999 111.152 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.588 ' CG2' HG12 ' B' ' 40' ' ' VAL . 17.1 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 70.150000000000006 111.142 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.86 0.362 . . . . 71.040000000000006 110.895 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.53 85.69 2.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 73.030000000000001 111.065 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.04 -28.99 27.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 44.210000000000001 110.881 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 4' ' ' PHE . . . . . 0.617 ' CE2' ' HB2' ' I' ' 30' ' ' ALA . 0.3 OUTLIER -162.08 114.75 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 75.540000000000006 110.867 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -133.84 108.77 8.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 74.019999999999996 110.896 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -110.55 128.02 55.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 74.450000000000003 110.819 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -131.75 101.95 5.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 64.219999999999999 110.858 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' C' ' 8' ' ' SER . 2.5 t -147.98 174.44 11.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 70.010000000000005 110.878 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.66 -9.63 54.42 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 73.420000000000002 112.5 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -172.1 114.61 0.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.853 0.358 . . . . 75.239999999999995 110.931 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -102.66 119.67 39.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 75.299999999999997 110.867 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . 0.5 HG13 HG23 ' C' ' 12' ' ' VAL . 4.3 p -137.33 117.95 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 72.140000000000001 111.138 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -116.45 113.83 23.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 74.150000000000006 110.883 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -117.5 124.1 47.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 64.099999999999994 110.83 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.25 133.25 45.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 74.040000000000006 110.895 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . 0.519 ' O ' HD22 ' D' ' 17' ' ' LEU . 8.2 tptm -124.31 120.72 32.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 72.299999999999997 110.944 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.657 HD13 ' HB2' ' C' ' 17' ' ' LEU . 4.4 mm? -124.01 105.51 9.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.42 . . . . 73.219999999999999 110.95 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.494 ' CG1' ' HB2' ' D' ' 21' ' ' ALA . 84.2 t -111.68 114.39 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 73.230000000000004 111.149 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.478 ' HE1' HD12 ' D' ' 17' ' ' LEU . 4.1 m-30 -106.46 98.05 7.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 62.149999999999999 110.914 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.596 ' CE2' HG22 ' D' ' 31' ' ' ILE . 1.0 OUTLIER 63.8 91.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 72.120000000000005 110.869 -179.907 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . 0.494 ' HB2' ' CG1' ' D' ' 18' ' ' VAL . . . -117.1 131.2 56.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 64.530000000000001 111.113 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 62.22 90.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 73.310000000000002 110.873 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.647 HG23 HG13 ' C' ' 24' ' ' VAL . 5.8 p -129.02 131.33 68.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 74.540000000000006 111.082 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.8 -53.08 46.14 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 23.52 112.488 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.31 130.9 7.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 72.400000000000006 110.854 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.529 ' HB3' HD12 ' E' ' 31' ' ' ILE . 19.7 m120 -95.77 105.96 18.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 74.450000000000003 110.86 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 0.732 ' O ' HD11 ' D' ' 31' ' ' ILE . 0.8 OUTLIER -116.05 136.65 52.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 60.409999999999997 110.896 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.39 -149.42 35.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 73.230000000000004 112.505 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.687 ' O ' HD13 ' D' ' 31' ' ' ILE . . . -83.76 114.62 21.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.802 0.335 . . . . 53.420000000000002 111.064 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.732 HD11 ' O ' ' D' ' 28' ' ' LYS . 4.3 mm -127.14 117.71 48.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 71.329999999999998 111.1 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.434 HG21 ' HG2' ' D' ' 35' ' ' MET . 4.8 mt -132.09 126.53 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 75.540000000000006 111.135 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.12 -42.12 95.0 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.734 -0.746 . . . . 43.329999999999998 112.464 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.724 HD22 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -170.66 146.61 2.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 71.209999999999994 110.932 -179.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.476 ' HE1' HG13 ' D' ' 40' ' ' VAL . 50.9 mtp -124.37 122.14 36.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 64.219999999999999 110.858 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.545 HG21 HG11 ' I' ' 36' ' ' VAL . 96.1 t -128.73 111.6 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 72.319999999999993 111.116 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.68 20.94 41.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 72.310000000000002 112.486 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.08 -164.34 31.13 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 74.109999999999999 112.501 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.676 HG23 HG13 ' C' ' 39' ' ' VAL . 7.3 p -168.93 135.85 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.879 0.371 . . . . 71.25 111.141 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.476 HG13 ' HE1' ' D' ' 35' ' ' MET . 18.1 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 71.349999999999994 111.105 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.812 0.339 . . . . 71.439999999999998 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.6 86.9 2.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 42.32 111.136 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.51 -29.26 24.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 64.230000000000004 110.934 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 4' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' J' ' 30' ' ' ALA . 0.3 OUTLIER -160.71 115.25 2.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 73.519999999999996 110.812 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -133.55 108.08 8.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 63.119999999999997 110.881 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -111.15 128.25 55.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 74.209999999999994 110.827 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -130.44 101.57 5.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 75.329999999999998 110.875 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 2.4 t -147.9 169.83 18.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 73.319999999999993 110.844 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.4 -8.99 57.17 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.786 -0.721 . . . . 43.350000000000001 112.443 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -170.6 111.64 0.39 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.87 0.367 . . . . 75.150000000000006 110.924 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -103.45 119.7 39.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 74.030000000000001 110.874 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 12' ' ' VAL . . . . . 0.479 HG13 HG23 ' D' ' 12' ' ' VAL . 4.5 p -137.29 118.73 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 73.340000000000003 111.126 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -116.38 113.49 22.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 72.299999999999997 110.832 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -116.42 125.52 52.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 62.310000000000002 110.896 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.51 134.89 46.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 71.299999999999997 110.92 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . 0.547 ' O ' HD22 ' E' ' 17' ' ' LEU . 8.2 tptm -124.26 119.83 30.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 70.209999999999994 110.9 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.55 HD12 ' HE1' ' E' ' 19' ' ' PHE . 4.3 mm? -126.01 106.91 9.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 62.420000000000002 110.887 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.534 ' CG1' ' HB2' ' E' ' 21' ' ' ALA . 87.3 t -112.06 118.4 57.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 74.120000000000005 111.145 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.55 ' HE1' HD12 ' E' ' 17' ' ' LEU . 4.3 m-85 -106.59 95.91 6.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 74.200000000000003 110.861 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.602 ' CE2' HG22 ' E' ' 31' ' ' ILE . 0.6 OUTLIER 62.98 91.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 72.319999999999993 110.908 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . 0.534 ' HB2' ' CG1' ' E' ' 18' ' ' VAL . . . -115.55 132.09 56.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 74.540000000000006 111.122 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 61.63 91.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 62.240000000000002 110.88 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.576 HG23 HG13 ' D' ' 24' ' ' VAL . 6.2 p -129.91 130.53 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 53.229999999999997 111.107 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.55 -52.57 47.94 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.656 -0.783 . . . . 55.530000000000001 112.511 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.39 131.78 7.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 61.32 110.87 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.473 ' ND2' HG21 ' E' ' 24' ' ' VAL . 21.5 m120 -95.55 103.88 15.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 71.430000000000007 110.83 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . 0.693 ' O ' HD11 ' E' ' 31' ' ' ILE . 0.8 OUTLIER -116.09 137.48 52.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 75.25 110.896 179.849 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.56 -149.64 33.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 53.130000000000003 112.511 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.627 ' O ' HD13 ' E' ' 31' ' ' ILE . . . -83.59 115.03 21.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 63.530000000000001 111.079 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.693 HD11 ' O ' ' E' ' 28' ' ' LYS . 4.0 mm -124.48 116.83 48.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 60.329999999999998 111.1 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.506 HG21 ' CG ' ' E' ' 35' ' ' MET . 5.2 mt -125.91 122.28 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 74.230000000000004 111.123 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.31 -36.68 91.54 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.748 -0.739 . . . . 74.200000000000003 112.451 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.668 ' C ' HD22 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -171.06 148.02 2.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.792 0.33 . . . . 75.230000000000004 110.944 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.506 ' CG ' HG21 ' E' ' 32' ' ' ILE . 58.5 mtp -128.0 119.9 26.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 73.510000000000005 110.881 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.447 HG21 HG11 ' J' ' 36' ' ' VAL . 98.4 t -133.63 109.79 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 62.43 111.107 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.68 21.79 16.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.699 -0.763 . . . . 73.310000000000002 112.48 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.53 -163.96 30.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 70.340000000000003 112.519 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.52 HG23 HG13 ' D' ' 39' ' ' VAL . 7.4 p -169.22 136.26 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.904 0.383 . . . . 71.409999999999997 111.124 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 17.5 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 54.539999999999999 111.118 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.821 0.343 . . . . 72.049999999999997 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.81 86.92 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 63.030000000000001 111.099 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.51 -30.08 28.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 75.219999999999999 110.895 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 4' ' ' PHE . . . . . 0.664 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -161.03 115.23 2.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 62.329999999999998 110.863 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -135.37 108.97 7.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 71.400000000000006 110.898 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -109.63 128.42 55.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 75.230000000000004 110.888 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -133.23 102.03 5.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 55.200000000000003 110.884 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 2.5 t -147.09 176.37 9.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 75.219999999999999 110.869 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.01 -10.17 56.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 65.099999999999994 112.507 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -172.37 117.48 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 74.140000000000001 110.882 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -102.2 118.88 37.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.063 -0.517 . . . . 75.439999999999998 110.888 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.508 HG23 HG13 ' G' ' 12' ' ' VAL . 4.4 p -139.67 119.18 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 73.349999999999994 111.175 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 65.3 m170 -117.13 114.85 24.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 70.099999999999994 110.897 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -118.71 122.44 42.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 72.310000000000002 110.878 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.09 133.15 44.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 72.219999999999999 110.941 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -132.98 119.27 19.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 70.5 110.861 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.555 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.4 mm? -121.72 111.27 16.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 55.439999999999998 110.972 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.641 ' CG1' ' HB2' ' F' ' 21' ' ' ALA . 89.0 t -114.37 112.03 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 63.219999999999999 111.162 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.543 ' HE1' HD12 ' F' ' 17' ' ' LEU . 8.1 m-85 -103.98 105.23 15.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 74.530000000000001 110.872 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . 0.572 ' CE2' HG22 ' F' ' 31' ' ' ILE . 0.9 OUTLIER 64.28 88.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 71.329999999999998 110.894 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . 0.641 ' HB2' ' CG1' ' F' ' 18' ' ' VAL . . . -115.75 132.0 56.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 64.25 111.126 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 62.78 90.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 75.430000000000007 110.863 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.592 HG13 HG23 ' G' ' 24' ' ' VAL . 6.5 p -129.49 130.72 67.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 71.329999999999998 111.139 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.78 -52.93 49.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 35.240000000000002 112.505 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.5 129.68 6.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.895 0.379 . . . . 71.340000000000003 110.826 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . 0.563 ' HB3' HD12 ' G' ' 31' ' ' ILE . 18.3 m120 -96.03 105.92 18.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.400000000000006 110.911 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . 0.74 ' O ' HD11 ' F' ' 31' ' ' ILE . 0.8 OUTLIER -114.25 136.53 52.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 54.049999999999997 110.897 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.82 -151.08 40.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.726 . . . . 74.140000000000001 112.518 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.653 ' O ' HD13 ' F' ' 31' ' ' ILE . . . -83.5 114.05 21.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 73.540000000000006 111.089 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.74 HD11 ' O ' ' F' ' 28' ' ' LYS . 5.3 mm -126.23 116.22 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 64.120000000000005 111.106 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.501 HG21 ' CG ' ' F' ' 35' ' ' MET . 6.5 mt -135.09 120.68 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 74.129999999999995 111.128 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.33 -44.51 65.56 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 62.32 112.505 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.703 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -173.79 148.71 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.8 0.333 . . . . 71.329999999999998 110.916 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . 0.501 ' CG ' HG21 ' F' ' 32' ' ' ILE . 58.5 mtp -127.68 123.52 35.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 54.329999999999998 110.893 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.871 HG11 HG21 ' A' ' 36' ' ' VAL . 94.5 t -119.02 115.28 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 71.299999999999997 111.151 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.01 19.26 61.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 72.420000000000002 112.449 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.07 -162.54 29.68 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 75.019999999999996 112.441 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.863 HG13 HG23 ' G' ' 39' ' ' VAL . 7.5 p -169.23 137.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 73.439999999999998 111.139 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 62.43 111.1 179.921 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.823 0.344 . . . . 52.310000000000002 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.56 87.07 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 73.019999999999996 111.12 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -51.99 -29.59 21.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 72.319999999999993 110.843 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 4' ' ' PHE . . . . . 0.657 ' CE2' ' HB2' ' B' ' 30' ' ' ALA . 0.3 OUTLIER -161.83 115.44 1.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 62.539999999999999 110.844 -179.868 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -134.36 108.66 8.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 74.219999999999999 110.874 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -108.9 128.3 54.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 74.239999999999995 110.874 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -132.55 101.82 5.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 73.439999999999998 110.855 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' H' ' 8' ' ' SER . 2.5 t -147.5 176.01 10.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 75.329999999999998 110.843 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.8 -10.58 55.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.75 . . . . 73.409999999999997 112.541 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -172.34 115.25 0.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.821 0.344 . . . . 75.140000000000001 110.95 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -101.44 118.62 37.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 71.310000000000002 110.87 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . 0.508 HG13 HG23 ' F' ' 12' ' ' VAL . 3.7 p -138.16 117.83 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 72.530000000000001 111.078 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -116.07 114.9 25.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 70.140000000000001 110.876 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -118.96 121.91 41.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 73.049999999999997 110.856 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.75 133.02 45.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 65.109999999999999 110.926 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . 0.413 ' C ' HD22 ' G' ' 17' ' ' LEU . 7.8 tptm -128.45 121.79 29.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 64.109999999999999 110.908 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.639 ' HB2' HD13 ' H' ' 17' ' ' LEU . 4.5 mm? -120.93 109.23 14.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 72.219999999999999 110.874 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' G' ' 21' ' ' ALA . 91.4 t -112.28 113.7 44.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 75.219999999999999 111.124 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.558 ' CE1' HD12 ' G' ' 17' ' ' LEU . 6.8 m-85 -108.79 100.92 10.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 74.430000000000007 110.882 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 0.582 ' CE2' HG22 ' G' ' 31' ' ' ILE . 0.9 OUTLIER 64.07 89.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 74.200000000000003 110.877 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . 0.471 ' HB2' ' CG1' ' G' ' 18' ' ' VAL . . . -115.62 131.73 56.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 73.319999999999993 111.105 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 62.38 90.29 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 62.43 110.923 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.621 HG13 HG23 ' H' ' 24' ' ' VAL . 5.7 p -128.85 130.91 68.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 73.319999999999993 111.13 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.27 -52.64 50.43 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 51.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.51 130.21 6.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.911 0.386 . . . . 73.540000000000006 110.859 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . 0.572 ' HB3' HD12 ' H' ' 31' ' ' ILE . 18.6 m120 -96.42 105.14 17.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.420000000000002 110.886 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . 0.734 ' O ' HD11 ' G' ' 31' ' ' ILE . 0.9 OUTLIER -114.43 137.23 52.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 71.109999999999999 110.89 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.38 -150.33 38.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 72.230000000000004 112.482 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.709 ' O ' HD13 ' G' ' 31' ' ' ILE . . . -83.74 114.41 21.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.696 0.284 . . . . 62.140000000000001 111.097 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.734 HD11 ' O ' ' G' ' 28' ' ' LYS . 4.9 mm -127.02 117.93 48.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 73.040000000000006 111.091 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.4 HG21 ' HG2' ' G' ' 35' ' ' MET . 5.6 mt -134.89 123.07 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 71.409999999999997 111.119 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.85 -43.25 70.6 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.76 -0.734 . . . . 35.020000000000003 112.519 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.77 HD22 ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -172.29 150.79 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 72.120000000000005 110.902 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.429 ' CE ' HG13 ' G' ' 40' ' ' VAL . 49.3 mtp -128.01 123.97 36.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 44.0 110.852 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.683 HG11 HG21 ' B' ' 36' ' ' VAL . 99.5 t -125.69 112.7 31.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 71.510000000000005 111.133 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.44 19.7 58.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 75.409999999999997 112.47 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.38 -163.9 30.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.696 -0.764 . . . . 21.41 112.533 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.863 HG23 HG13 ' F' ' 39' ' ' VAL . 7.4 p -169.43 134.32 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.896 0.379 . . . . 74.209999999999994 111.107 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.429 HG13 ' CE ' ' G' ' 35' ' ' MET . 21.4 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 71.040000000000006 111.157 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.788 0.328 . . . . 62.119999999999997 110.882 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.84 86.66 2.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 53.25 111.065 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -51.77 -30.12 21.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 74.230000000000004 110.886 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 4' ' ' PHE . . . . . 0.634 ' CE2' ' HB2' ' C' ' 30' ' ' ALA . 0.3 OUTLIER -161.26 115.39 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 73.340000000000003 110.913 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -133.9 108.63 8.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 73.420000000000002 110.853 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -109.34 127.76 54.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 75.209999999999994 110.846 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -131.96 101.81 5.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 71.400000000000006 110.859 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' I' ' 8' ' ' SER . 2.5 t -147.42 175.66 10.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 74.519999999999996 110.865 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.31 -10.31 54.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 44.130000000000003 112.508 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -172.22 115.15 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 63.140000000000001 110.875 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -101.85 119.05 38.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 54.530000000000001 110.895 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 0.502 HG23 HG13 ' I' ' 12' ' ' VAL . 3.9 p -137.8 117.74 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 63.009999999999998 111.088 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -116.07 114.43 24.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 71.420000000000002 110.839 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -118.01 123.0 44.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 73.329999999999998 110.921 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.04 133.14 45.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 74.150000000000006 110.883 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . 0.45 ' C ' HD22 ' H' ' 17' ' ' LEU . 8.0 tptm -126.08 121.61 33.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 72.200000000000003 110.942 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.639 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.5 mm? -122.1 106.37 11.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 74.329999999999998 110.905 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.434 ' CG1' ' HB2' ' H' ' 21' ' ' ALA . 92.1 t -111.48 114.02 45.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 71.209999999999994 111.101 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.513 ' CE1' HD12 ' H' ' 17' ' ' LEU . 5.1 m-85 -108.77 99.62 8.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 72.010000000000005 110.868 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . 0.596 ' CE2' HG22 ' H' ' 31' ' ' ILE . 1.0 OUTLIER 63.72 89.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 74.430000000000007 110.875 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . 0.434 ' HB2' ' CG1' ' H' ' 18' ' ' VAL . . . -115.57 130.8 57.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 72.5 111.096 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 62.07 90.45 0.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 52.039999999999999 110.846 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.671 HG13 HG23 ' I' ' 24' ' ' VAL . 6.0 p -128.24 130.86 69.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 62.299999999999997 111.164 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.04 -52.88 49.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 62.229999999999997 112.499 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.52 130.11 6.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 65.349999999999994 110.839 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . 0.58 ' HB3' HD12 ' I' ' 31' ' ' ILE . 18.4 m120 -96.33 105.2 17.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 72.019999999999996 110.891 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . 0.726 ' O ' HD11 ' H' ' 31' ' ' ILE . 0.8 OUTLIER -114.86 137.25 52.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 70.040000000000006 110.846 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.93 -150.55 37.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 71.329999999999998 112.512 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . 0.704 ' O ' HD13 ' H' ' 31' ' ' ILE . . . -83.48 114.15 21.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.744 0.307 . . . . 73.219999999999999 111.069 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.726 HD11 ' O ' ' H' ' 28' ' ' LYS . 4.6 mm -126.88 117.99 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 73.109999999999999 111.113 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . 0.42 HG21 ' HG2' ' H' ' 35' ' ' MET . 5.0 mt -133.6 123.72 46.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 55.109999999999999 111.155 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.39 -42.7 75.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.753 . . . . 43.140000000000001 112.472 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.81 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -170.88 149.93 3.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.787 0.327 . . . . 72.420000000000002 110.923 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . 0.42 ' HG2' HG21 ' H' ' 32' ' ' ILE . 49.4 mtp -126.93 123.23 36.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 74.129999999999995 110.869 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.574 HG11 HG21 ' C' ' 36' ' ' VAL . 99.0 t -128.74 112.82 27.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 74.340000000000003 111.098 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.36 19.86 48.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.683 -0.77 . . . . 61.240000000000002 112.51 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.72 -164.63 31.63 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 22.120000000000001 112.472 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.67 HG23 HG13 ' G' ' 39' ' ' VAL . 7.5 p -169.2 133.81 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.862 0.363 . . . . 70.409999999999997 111.12 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . 0.418 ' CG2' HG12 ' G' ' 40' ' ' VAL . 18.9 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 71.430000000000007 111.151 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.821 0.343 . . . . 74.129999999999995 110.855 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.68 86.73 2.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 40.310000000000002 111.134 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.1 -29.59 22.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 75.439999999999998 110.861 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 4' ' ' PHE . . . . . 0.621 ' CE2' ' HB2' ' D' ' 30' ' ' ALA . 0.3 OUTLIER -161.8 115.29 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 75.209999999999994 110.86 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -133.88 108.67 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 75.450000000000003 110.844 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -110.05 127.94 55.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 73.310000000000002 110.877 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -131.88 102.0 5.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 72.329999999999998 110.886 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' H' ' 8' ' ' SER . 2.5 t -147.68 174.49 11.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 73.140000000000001 110.871 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.87 -9.42 54.33 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.723 -0.751 . . . . 72.25 112.445 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -172.15 114.38 0.32 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.807 0.336 . . . . 75.109999999999999 110.978 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -102.36 119.54 38.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 71.319999999999993 110.875 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 12' ' ' VAL . . . . . 0.502 HG13 HG23 ' H' ' 12' ' ' VAL . 4.3 p -137.59 117.95 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 64.230000000000004 111.122 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -116.29 114.44 24.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 62.450000000000003 110.876 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -117.75 123.78 46.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 70.219999999999999 110.855 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.24 133.05 45.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 74.310000000000002 110.93 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . 0.494 ' O ' HD22 ' I' ' 17' ' ' LEU . 8.1 tptm -124.41 120.54 32.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 72.219999999999999 110.927 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.638 HD13 ' HB2' ' H' ' 17' ' ' LEU . 4.5 mm? -123.85 105.59 9.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 51.219999999999999 110.932 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . 0.475 ' CG1' ' HB2' ' I' ' 21' ' ' ALA . 85.4 t -111.98 114.6 47.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 55.340000000000003 111.144 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . 0.496 ' HE1' HD12 ' I' ' 17' ' ' LEU . 4.5 m-85 -106.54 97.98 7.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 75.450000000000003 110.832 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . 0.595 ' CE2' HG22 ' I' ' 31' ' ' ILE . 0.9 OUTLIER 63.76 91.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 74.329999999999998 110.902 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . 0.475 ' HB2' ' CG1' ' I' ' 18' ' ' VAL . . . -116.93 131.04 57.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 70.010000000000005 111.124 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 62.34 90.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 73.319999999999993 110.844 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.671 HG23 HG13 ' H' ' 24' ' ' VAL . 6.0 p -129.1 130.97 68.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 53.149999999999999 111.088 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.08 -53.24 46.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 64.109999999999999 112.496 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.17 130.12 6.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.816 0.341 . . . . 74.150000000000006 110.853 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . 0.518 ' HB3' HD12 ' J' ' 31' ' ' ILE . 18.5 m120 -95.63 105.09 17.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 72.040000000000006 110.866 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . 0.717 ' O ' HD11 ' I' ' 31' ' ' ILE . 0.7 OUTLIER -115.49 137.34 52.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 63.43 110.887 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.48 -150.64 36.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.717 -0.754 . . . . 73.019999999999996 112.495 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.695 ' O ' HD13 ' I' ' 31' ' ' ILE . . . -83.37 114.48 21.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.797 0.332 . . . . 64.5 111.068 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.717 HD11 ' O ' ' I' ' 28' ' ' LYS . 4.6 mm -126.72 118.83 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 72.230000000000004 111.12 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . 0.432 HG21 ' HG2' ' I' ' 35' ' ' MET . 4.8 mt -132.37 125.39 53.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 64.219999999999999 111.125 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.04 -42.24 92.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 60.310000000000002 112.494 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.734 HD22 ' O ' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -170.67 147.58 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.342 . . . . 72.409999999999997 110.941 -179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . 0.432 ' HG2' HG21 ' I' ' 32' ' ' ILE . 50.6 mtp -125.96 122.12 35.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 74.25 110.878 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.545 HG11 HG21 ' D' ' 36' ' ' VAL . 96.8 t -129.46 111.53 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 64.219999999999999 111.163 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.02 20.32 41.42 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.781 -0.723 . . . . 71.510000000000005 112.514 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.03 -164.12 32.39 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 52.450000000000003 112.473 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 0.581 HG23 HG13 ' H' ' 39' ' ' VAL . 7.6 p -169.06 136.15 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 75.230000000000004 111.132 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . 0.4 ' HA ' HG22 ' J' ' 40' ' ' VAL . 19.1 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 73.120000000000005 111.121 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.82 0.343 . . . . 71.209999999999994 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.69 86.99 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 70.209999999999994 111.1 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -51.94 -29.96 22.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 71.299999999999997 110.889 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 4' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' E' ' 30' ' ' ALA . 0.3 OUTLIER -161.07 115.14 2.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 73.430000000000007 110.893 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -133.27 108.53 8.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 75.409999999999997 110.897 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -110.85 127.41 55.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 72.200000000000003 110.815 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -130.03 101.65 5.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 74.409999999999997 110.908 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 2.4 t -148.33 169.63 19.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 74.299999999999997 110.841 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.42 -8.75 57.29 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.759 -0.734 . . . . 75.219999999999999 112.49 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -170.79 112.0 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 74.0 110.911 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -103.17 119.86 39.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 75.120000000000005 110.872 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.5 HG13 HG23 ' I' ' 12' ' ' VAL . 4.6 p -136.71 119.23 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 73.040000000000006 111.105 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 63.7 m170 -116.28 113.81 23.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 75.340000000000003 110.866 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -117.06 124.93 50.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 75.450000000000003 110.856 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.08 134.51 45.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 75.010000000000005 110.887 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . 0.536 ' O ' HD22 ' J' ' 17' ' ' LEU . 7.8 tptm -124.47 119.84 30.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 75.25 110.939 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.557 HD12 ' HE1' ' J' ' 19' ' ' PHE . 4.3 mm? -126.09 106.77 9.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 70.420000000000002 110.895 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.537 ' CG1' ' HB2' ' J' ' 21' ' ' ALA . 91.1 t -112.42 118.11 56.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 54.229999999999997 111.148 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.557 ' HE1' HD12 ' J' ' 17' ' ' LEU . 4.1 m-85 -106.23 96.1 6.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.481 . . . . 72.25 110.886 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . 0.604 ' CE2' HG22 ' J' ' 31' ' ' ILE . 0.6 OUTLIER 63.06 91.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 72.439999999999998 110.891 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . 0.537 ' HB2' ' CG1' ' J' ' 18' ' ' VAL . . . -116.1 132.61 56.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 73.430000000000007 111.065 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 61.67 90.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 62.119999999999997 110.897 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.612 HG23 HG13 ' I' ' 24' ' ' VAL . 6.2 p -130.45 130.37 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 71.420000000000002 111.126 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.42 -52.31 50.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 74.329999999999998 112.459 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.49 131.29 7.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 75.430000000000007 110.906 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . 0.491 ' ND2' HG21 ' J' ' 24' ' ' VAL . 21.2 m120 -95.92 103.21 15.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 72.530000000000001 110.898 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . 0.673 ' O ' HD11 ' J' ' 31' ' ' ILE . 0.8 OUTLIER -115.31 137.57 51.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 71.25 110.868 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.27 -150.34 33.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 72.239999999999995 112.489 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 0.624 ' O ' HD13 ' J' ' 31' ' ' ILE . . . -83.45 114.27 21.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.771 0.319 . . . . 34.43 111.1 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.673 HD11 ' O ' ' J' ' 28' ' ' LYS . 3.9 mm -124.25 117.32 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 73.439999999999998 111.161 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . 0.53 HG21 ' CG ' ' J' ' 35' ' ' MET . 5.3 mt -126.22 122.94 62.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 70.150000000000006 111.159 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.51 -38.27 93.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 70.140000000000001 112.51 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.671 HD22 ' O ' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -170.5 147.32 2.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 73.430000000000007 110.886 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . 0.53 ' CG ' HG21 ' J' ' 32' ' ' ILE . 55.5 mtp -128.29 119.63 25.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 72.219999999999999 110.941 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.447 HG11 HG21 ' E' ' 36' ' ' VAL . 84.9 t -134.31 109.97 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 60.509999999999998 111.129 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 55.2 21.12 24.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 31.34 112.502 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.39 -162.15 31.57 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 71.219999999999999 112.501 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.435 HG23 HG13 ' I' ' 39' ' ' VAL . 7.4 p -169.18 137.49 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 75.450000000000003 111.114 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.4 HG22 ' HA ' ' I' ' 40' ' ' VAL . 17.2 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 65.209999999999994 111.121 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.809 0.338 . . . . 72.019999999999996 110.839 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.19 87.19 4.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 54.340000000000003 111.068 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -57.73 -24.32 56.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 73.329999999999998 110.894 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' F' ' 30' ' ' ALA . 0.3 OUTLIER -167.22 114.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 71.140000000000001 110.829 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -130.15 109.5 10.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 74.540000000000006 110.899 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -109.23 121.48 45.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 62.25 110.866 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -127.99 102.09 6.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 44.219999999999999 110.905 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -148.77 176.05 10.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 71.040000000000006 110.857 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.32 -10.43 38.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 70.150000000000006 112.515 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.39 114.6 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.349 . . . . 55.210000000000001 110.93 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -103.19 120.48 40.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 55.409999999999997 110.887 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 50.5 t -132.16 113.93 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 72.120000000000005 111.143 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 60.6 m170 -114.01 124.49 52.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 72.329999999999998 110.889 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -133.54 115.42 14.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 72.530000000000001 110.84 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -121.2 136.82 54.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 71.019999999999996 110.895 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -131.54 115.36 16.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 71.299999999999997 110.847 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.518 HD12 ' CE1' ' A' ' 19' ' ' PHE . 3.6 mm? -119.29 110.63 17.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 70.310000000000002 110.92 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.743 HG12 ' CG2' ' B' ' 18' ' ' VAL . 27.2 m -116.82 118.97 60.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 51.340000000000003 111.115 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.518 ' CE1' HD12 ' A' ' 17' ' ' LEU . 13.5 m-85 -106.31 106.9 17.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 70.099999999999994 110.909 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 58.99 65.6 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 75.420000000000002 110.914 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.53 138.02 32.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 41.409999999999997 111.091 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.67 77.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 75.099999999999994 110.874 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.607 ' CG1' HG23 ' B' ' 24' ' ' VAL . 7.6 p -112.55 139.43 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 72.540000000000006 111.117 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.29 -47.49 51.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 70.129999999999995 112.483 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.0 m -161.1 124.88 3.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.934 0.397 . . . . 74.340000000000003 110.824 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.564 ' CG ' HG21 ' A' ' 31' ' ' ILE . 23.6 m-20 -108.5 102.44 11.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 75.129999999999995 110.858 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.56 162.27 16.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 72.109999999999999 110.872 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.12 -135.5 50.25 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 25.109999999999999 112.487 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.576 ' HB2' ' CE2' ' F' ' 4' ' ' PHE . . . -83.14 113.64 20.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.722 0.296 . . . . 22.32 111.118 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.737 HG22 ' CZ ' ' B' ' 20' ' ' PHE . 2.0 mp -123.49 109.31 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 65.329999999999998 111.113 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.0 mt -137.64 116.17 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 72.040000000000006 111.114 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.18 -48.73 32.05 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.691 -0.766 . . . . 53.039999999999999 112.532 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.672 HD22 ' C ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -173.19 149.05 1.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 73.310000000000002 110.958 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.3 mtp -123.96 123.17 39.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 71.430000000000007 110.897 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.498 HG21 HG11 ' F' ' 36' ' ' VAL . 60.2 t -111.63 114.58 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 63.299999999999997 111.116 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.95 23.62 46.75 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 74.140000000000001 112.467 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.32 -169.29 25.83 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.7 -0.762 . . . . 71.409999999999997 112.436 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.493 ' O ' HG23 ' B' ' 39' ' ' VAL . 4.3 p -168.53 121.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 74.510000000000005 111.142 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.728 ' HA ' HG22 ' B' ' 40' ' ' VAL . 18.6 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 63.210000000000001 111.157 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.768 0.318 . . . . 74.409999999999997 110.861 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.7 87.05 4.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 44.539999999999999 111.095 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -57.05 -23.53 47.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 71.349999999999994 110.869 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' G' ' 30' ' ' ALA . 0.3 OUTLIER -167.56 114.56 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 75.409999999999997 110.868 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -129.24 108.96 10.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 73.099999999999994 110.81 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -107.48 121.54 44.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 73.510000000000005 110.804 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -127.88 101.21 6.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 62.439999999999998 110.905 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -148.41 175.56 11.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 74.219999999999999 110.883 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.52 -10.24 38.88 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.777 -0.725 . . . . 45.210000000000001 112.486 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.29 114.21 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 72.129999999999995 110.913 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -102.61 120.11 39.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 72.109999999999999 110.863 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.5 t -131.57 114.01 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 62.310000000000002 111.114 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 60.1 m170 -114.91 123.6 49.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 62.329999999999998 110.861 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -133.43 116.75 16.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.169 -0.469 . . . . 74.349999999999994 110.834 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -122.82 135.88 54.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 63.039999999999999 110.923 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.433 ' O ' HD22 ' B' ' 17' ' ' LEU . 0.8 OUTLIER -127.78 116.27 19.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 72.25 110.891 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.482 HD12 ' HE1' ' B' ' 19' ' ' PHE . 3.9 mm? -121.21 110.3 16.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 73.349999999999994 110.903 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.743 ' CG2' HG12 ' A' ' 18' ' ' VAL . 27.1 m -118.52 119.45 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 72.019999999999996 111.099 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.482 ' HE1' HD12 ' B' ' 17' ' ' LEU . 6.9 m-85 -106.63 110.19 22.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 71.430000000000007 110.854 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.737 ' CZ ' HG22 ' A' ' 31' ' ' ILE . 4.6 m-30 59.58 63.6 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 70.329999999999998 110.927 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.61 137.74 32.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 62.210000000000001 111.05 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.13 77.28 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 75.230000000000004 110.86 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.607 HG23 ' CG1' ' A' ' 24' ' ' VAL . 6.3 p -113.23 137.57 45.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 70.519999999999996 111.098 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.51 -46.81 53.84 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.7 -0.762 . . . . 75.299999999999997 112.507 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 11.7 m -161.2 125.44 3.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.875 0.369 . . . . 34.240000000000002 110.862 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.537 ' CG ' HG21 ' B' ' 31' ' ' ILE . 23.4 m-20 -107.47 102.25 11.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 61.399999999999999 110.842 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.0 162.09 17.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 65.239999999999995 110.864 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.5 -134.69 49.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.69 -0.767 . . . . 61.219999999999999 112.511 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.576 ' HB2' ' CE2' ' G' ' 4' ' ' PHE . . . -83.47 113.69 20.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 73.209999999999994 111.102 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.742 HG22 ' CZ ' ' C' ' 20' ' ' PHE . 2.0 mp -123.54 109.43 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 71.319999999999993 111.137 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 16.8 mt -135.46 119.22 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 72.409999999999997 111.105 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.43 ' HA3' ' HB3' ' B' ' 19' ' ' PHE . . . -50.49 -47.86 43.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 64.099999999999994 112.486 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.704 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -171.33 151.46 3.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.85 0.357 . . . . 72.400000000000006 110.915 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.3 ttp -123.16 123.74 41.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 74.519999999999996 110.892 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.499 HG23 HD23 ' B' ' 34' ' ' LEU . 78.4 t -119.96 111.07 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 72.319999999999993 111.099 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.88 24.45 49.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.732 . . . . 73.299999999999997 112.486 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.48 -169.3 24.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 74.150000000000006 112.511 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.5 ' O ' HG23 ' C' ' 39' ' ' VAL . 3.3 p -167.93 120.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 75.200000000000003 111.169 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.728 HG22 ' HA ' ' A' ' 40' ' ' VAL . 17.6 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 72.209999999999994 111.148 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.833 0.349 . . . . 73.230000000000004 110.85 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.06 86.92 4.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 41.240000000000002 111.115 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -57.26 -23.6 49.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 75.019999999999996 110.897 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . 0.538 ' CE2' ' HB2' ' H' ' 30' ' ' ALA . 0.3 OUTLIER -167.94 114.77 0.71 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 75.239999999999995 110.897 -179.897 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -129.25 108.97 10.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 74.329999999999998 110.882 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -107.74 120.91 43.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 74.530000000000001 110.831 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -127.3 101.39 6.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 54.530000000000001 110.846 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -148.46 175.54 11.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 53.439999999999998 110.849 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.75 -10.07 38.68 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 61.310000000000002 112.443 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.26 114.29 0.31 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.856 0.36 . . . . 63.310000000000002 110.934 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -102.51 120.1 39.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 65.439999999999998 110.91 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 48.5 t -131.64 114.28 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 74.0 111.165 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -115.32 123.41 48.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 44.350000000000001 110.869 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -133.01 117.4 17.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 54.32 110.888 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -123.58 135.71 54.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 74.209999999999994 110.913 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.506 ' O ' HD22 ' C' ' 17' ' ' LEU . 0.8 OUTLIER -125.94 116.91 22.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 74.299999999999997 110.89 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.506 HD22 ' O ' ' C' ' 16' ' ' LYS . 4.0 mm? -123.47 109.63 14.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 72.120000000000005 110.891 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.727 ' CG2' HG12 ' B' ' 18' ' ' VAL . 27.8 m -119.14 119.55 61.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 73.099999999999994 111.14 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.504 ' HE1' HD12 ' C' ' 17' ' ' LEU . 4.7 m-85 -106.22 109.85 21.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 75.140000000000001 110.856 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.742 ' CZ ' HG22 ' B' ' 31' ' ' ILE . 4.5 m-30 59.65 63.59 1.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 72.140000000000001 110.886 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.73 136.99 33.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 63.219999999999999 111.095 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.01 77.46 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 65.409999999999997 110.851 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.577 ' CG1' HG23 ' D' ' 24' ' ' VAL . 6.9 p -113.09 137.43 46.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 73.299999999999997 111.152 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.53 -46.8 53.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.774 -0.727 . . . . 71.319999999999993 112.441 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 12.0 m -160.69 125.67 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 74.200000000000003 110.838 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.475 ' ND2' HG21 ' C' ' 31' ' ' ILE . 21.0 m-20 -107.43 101.69 11.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 64.219999999999999 110.938 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.53 161.93 17.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 73.209999999999994 110.9 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.27 -134.54 48.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.729 . . . . 42.409999999999997 112.515 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.555 ' HB2' ' CE2' ' H' ' 4' ' ' PHE . . . -83.34 113.89 21.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.799 0.333 . . . . 72.420000000000002 111.073 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.75 HG22 ' CZ ' ' D' ' 20' ' ' PHE . 2.0 mp -123.24 109.36 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 73.409999999999997 111.173 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 13.7 mt -134.12 119.55 31.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 53.409999999999997 111.11 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.84 -46.29 54.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 61.310000000000002 112.481 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.766 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -170.95 151.05 3.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.812 0.339 . . . . 75.200000000000003 110.951 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 1.4 mtp -122.3 122.43 39.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.299999999999997 110.845 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.509 HG23 HD23 ' C' ' 34' ' ' LEU . 84.9 t -120.66 110.97 30.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 74.099999999999994 111.135 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.69 25.54 29.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 32.340000000000003 112.487 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.93 -169.38 25.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 63.299999999999997 112.477 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.517 ' O ' HG23 ' D' ' 39' ' ' VAL . 3.6 p -167.64 120.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.861 0.362 . . . . 72.319999999999993 111.105 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.709 HG22 ' HA ' ' B' ' 40' ' ' VAL . 18.1 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 64.510000000000005 111.127 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.854 0.359 . . . . 62.520000000000003 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.93 86.62 4.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 62.420000000000002 111.073 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -57.34 -23.95 52.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 72.109999999999999 110.93 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 4' ' ' PHE . . . . . 0.524 ' CE2' ' HB2' ' I' ' 30' ' ' ALA . 0.3 OUTLIER -168.0 114.96 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 75.430000000000007 110.905 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -128.86 108.83 10.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 72.219999999999999 110.869 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -107.34 120.5 42.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 71.239999999999995 110.845 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -126.99 101.31 6.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 44.210000000000001 110.827 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -148.61 174.62 11.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 63.409999999999997 110.855 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.69 -9.64 39.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 74.129999999999995 112.47 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.16 113.75 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 75.25 110.95 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -102.33 120.24 40.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 65.310000000000002 110.865 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -131.71 114.39 24.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 71.140000000000001 111.119 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 57.4 m170 -115.17 123.47 48.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 73.109999999999999 110.9 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -133.24 117.37 17.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 75.150000000000006 110.851 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -123.83 135.95 54.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 71.109999999999999 110.875 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . 0.59 ' O ' HD22 ' D' ' 17' ' ' LEU . 0.8 OUTLIER -124.46 116.98 23.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 52.539999999999999 110.912 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.59 HD22 ' O ' ' D' ' 16' ' ' LYS . 4.2 mm? -125.66 109.0 12.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 71.040000000000006 110.949 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.713 HG12 ' CG2' ' E' ' 18' ' ' VAL . 29.0 m -119.4 119.99 62.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.230000000000004 111.155 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.466 ' HE1' HD12 ' D' ' 17' ' ' LEU . 2.8 m-85 -105.8 109.13 20.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 71.400000000000006 110.849 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.75 ' CZ ' HG22 ' C' ' 31' ' ' ILE . 4.6 m-30 59.86 63.5 1.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 72.450000000000003 110.89 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.85 136.99 34.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 45.420000000000002 111.087 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.78 77.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 75.510000000000005 110.86 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.577 HG23 ' CG1' ' C' ' 24' ' ' VAL . 7.1 p -113.01 137.56 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 64.530000000000001 111.144 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.53 -46.41 55.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 75.25 112.484 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 12.3 m -160.31 126.06 4.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 73.109999999999999 110.867 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -107.02 100.85 10.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 75.230000000000004 110.905 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.43 162.03 18.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 71.310000000000002 110.887 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.58 -134.11 47.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.742 . . . . 72.019999999999996 112.484 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.531 ' HB2' ' CE2' ' I' ' 4' ' ' PHE . . . -83.3 113.55 20.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.765 0.317 . . . . 71.400000000000006 111.136 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.739 HG22 ' CZ ' ' E' ' 20' ' ' PHE . 2.1 mp -122.1 109.35 24.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 74.540000000000006 111.106 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 12.6 mt -133.2 119.91 37.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 64.030000000000001 111.169 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.32 -47.0 70.34 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 54.340000000000003 112.469 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.754 HD22 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -168.38 148.99 4.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 64.530000000000001 110.91 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 1.4 mtp -122.47 120.62 34.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 61.5 110.907 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.535 HG23 HD23 ' D' ' 34' ' ' LEU . 75.4 t -120.7 110.79 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 74.420000000000002 111.124 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.61 25.95 22.76 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.718 -0.753 . . . . 64.329999999999998 112.488 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.12 -169.3 26.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 45.219999999999999 112.484 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.544 ' O ' HG23 ' E' ' 39' ' ' VAL . 4.1 p -167.43 120.84 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 65.310000000000002 111.142 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.675 HG22 ' HA ' ' C' ' 40' ' ' VAL . 18.5 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 63.130000000000003 111.126 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.86 0.362 . . . . 60.520000000000003 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.17 87.09 5.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 62.399999999999999 111.119 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -57.26 -24.44 54.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 64.209999999999994 110.879 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 4' ' ' PHE . . . . . 0.446 ' CE2' ' HB2' ' J' ' 30' ' ' ALA . 0.3 OUTLIER -167.33 115.37 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 72.129999999999995 110.862 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -128.01 108.9 11.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 62.439999999999998 110.864 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -107.49 120.54 42.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 74.439999999999998 110.828 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -126.28 101.01 6.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 73.340000000000003 110.886 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 2.9 m -149.31 171.34 16.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 64.530000000000001 110.828 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.54 -8.84 45.37 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.751 . . . . 62.109999999999999 112.482 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -170.91 112.11 0.38 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.868 0.365 . . . . 72.340000000000003 110.932 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -102.58 120.23 40.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 75.5 110.861 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -131.71 115.16 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 62.130000000000003 111.147 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -115.19 122.44 46.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 72.019999999999996 110.852 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -132.31 117.81 18.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 72.040000000000006 110.851 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -124.52 137.34 54.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 74.409999999999997 110.935 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . 0.602 ' O ' HD22 ' E' ' 17' ' ' LEU . 0.8 OUTLIER -124.31 115.66 21.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 74.340000000000003 110.894 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.602 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.4 mm? -126.48 105.38 8.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 73.310000000000002 110.875 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.713 ' CG2' HG12 ' D' ' 18' ' ' VAL . 29.5 m -115.85 122.54 69.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 74.340000000000003 111.104 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -106.92 108.35 19.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 75.310000000000002 110.855 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.739 ' CZ ' HG22 ' D' ' 31' ' ' ILE . 4.6 m-30 60.25 64.06 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 74.319999999999993 110.854 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.69 137.05 35.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 60.210000000000001 111.064 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.78 77.72 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 65.510000000000005 110.845 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.536 HG23 ' CG1' ' D' ' 24' ' ' VAL . 6.7 p -113.69 137.02 48.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 50.240000000000002 111.11 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.44 -46.15 50.19 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.72 . . . . 33.119999999999997 112.485 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 11.6 m -160.6 125.12 3.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.358 . . . . 71.109999999999999 110.895 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -106.35 99.82 9.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 73.129999999999995 110.907 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.7 163.16 16.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 64.230000000000004 110.885 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.27 -133.84 42.49 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.733 . . . . 74.329999999999998 112.5 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.412 ' HB2' ' CZ ' ' J' ' 4' ' ' PHE . . . -83.16 113.36 20.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.781 0.324 . . . . 75.209999999999994 111.103 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.433 HG23 ' HE2' ' E' ' 20' ' ' PHE . 2.2 mp -119.7 111.73 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 72.140000000000001 111.153 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 mt -131.1 114.63 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 73.25 111.153 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.39 -42.78 84.24 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 62.009999999999998 112.461 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.663 HD22 ' O ' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -168.89 147.05 3.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.807 0.337 . . . . 74.310000000000002 110.926 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mtp -124.4 120.41 32.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 74.329999999999998 110.896 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.439 HG23 HD23 ' E' ' 34' ' ' LEU . 89.0 t -127.44 109.91 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 75.140000000000001 111.097 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.4 25.51 19.98 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 55.439999999999998 112.457 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.02 -168.77 25.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.728 . . . . 72.430000000000007 112.459 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.544 HG23 ' O ' ' D' ' 39' ' ' VAL . 4.4 p -167.68 122.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.352 . . . . 73.430000000000007 111.146 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.553 HG22 ' HA ' ' D' ' 40' ' ' VAL . 18.1 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 75.299999999999997 111.119 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.835 0.35 . . . . 61.210000000000001 110.874 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.45 87.02 5.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 52.109999999999999 111.065 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -57.26 -24.41 54.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 74.049999999999997 110.876 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 4' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -167.29 115.06 0.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 60.210000000000001 110.836 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -128.93 109.19 11.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 75.409999999999997 110.89 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -108.74 120.99 44.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 63.25 110.863 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -127.7 102.23 6.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 73.129999999999995 110.895 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -148.93 176.02 10.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 53.219999999999999 110.833 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.47 -10.39 38.64 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.715 -0.755 . . . . 70.140000000000001 112.493 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.38 114.69 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 71.140000000000001 110.945 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -103.08 120.62 41.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 72.129999999999995 110.888 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 51.0 t -132.16 114.04 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 73.030000000000001 111.085 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 61.1 m170 -114.33 124.5 52.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 75.430000000000007 110.901 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -133.69 115.69 14.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 52.229999999999997 110.842 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -121.26 136.73 54.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 75.209999999999994 110.92 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -131.44 115.56 16.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 74.349999999999994 110.911 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.522 HD12 ' CE1' ' F' ' 19' ' ' PHE . 3.5 mm? -119.63 110.4 16.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 63.329999999999998 110.908 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.737 HG12 ' CG2' ' G' ' 18' ' ' VAL . 27.0 m -116.57 119.2 61.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 72.430000000000007 111.157 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.522 ' CE1' HD12 ' F' ' 17' ' ' LEU . 13.8 m-85 -106.02 107.09 17.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 75.019999999999996 110.859 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 58.97 65.51 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 72.439999999999998 110.914 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.28 137.85 32.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 50.020000000000003 111.118 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 57.01 77.51 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 74.420000000000002 110.877 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.603 ' CG1' HG23 ' G' ' 24' ' ' VAL . 7.7 p -112.33 139.11 38.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 61.310000000000002 111.187 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.75 -47.48 55.48 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.797 -0.716 . . . . 60.020000000000003 112.474 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 12.1 m -160.83 124.54 3.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 75.120000000000005 110.912 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . 0.601 ' CG ' HG21 ' F' ' 31' ' ' ILE . 18.1 m-20 -106.7 101.61 11.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 63.219999999999999 110.935 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.65 161.85 17.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 73.430000000000007 110.897 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.16 -137.18 49.33 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.777 -0.725 . . . . 74.319999999999993 112.513 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.561 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . . . -83.0 113.27 20.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 74.239999999999995 111.126 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.73 HG22 ' CZ ' ' G' ' 20' ' ' PHE . 1.9 mp -122.44 110.83 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 64.340000000000003 111.142 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 18.4 mt -137.86 115.92 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 65.230000000000004 111.177 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.19 -48.74 32.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 42.109999999999999 112.47 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.67 ' C ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -172.91 148.81 1.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.789 0.328 . . . . 70.120000000000005 110.901 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 1.3 mtp -123.63 123.25 40.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 65.25 110.868 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.498 HG11 HG21 ' A' ' 36' ' ' VAL . 58.0 t -112.6 115.33 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 73.040000000000006 111.126 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.1 22.63 43.64 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.74 . . . . 71.150000000000006 112.46 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.96 -169.67 25.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 52.420000000000002 112.497 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.517 ' O ' HG23 ' G' ' 39' ' ' VAL . 4.3 p -169.08 121.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 62.340000000000003 111.134 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.723 ' HA ' HG22 ' G' ' 40' ' ' VAL . 18.1 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 62.299999999999997 111.149 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.859 0.362 . . . . 71.209999999999994 110.912 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.04 87.2 5.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 52.43 111.107 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -56.77 -23.88 46.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 62.210000000000001 110.901 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 4' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' B' ' 30' ' ' ALA . 0.3 OUTLIER -167.43 114.99 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 65.439999999999998 110.877 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -128.45 108.91 10.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 74.530000000000001 110.879 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -107.52 120.76 43.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 71.450000000000003 110.868 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -127.08 101.48 6.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 73.420000000000002 110.854 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -148.36 175.42 11.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 60.340000000000003 110.886 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.63 -9.99 39.24 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.741 -0.742 . . . . 73.019999999999996 112.47 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.45 114.14 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.356 . . . . 73.510000000000005 110.951 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -102.21 120.04 39.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 62.140000000000001 110.881 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -131.46 114.04 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 74.319999999999993 111.102 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -115.27 123.61 49.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 71.25 110.898 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -133.38 116.67 16.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 70.219999999999999 110.825 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -122.37 135.49 54.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 73.310000000000002 110.889 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . 0.44 ' O ' HD22 ' G' ' 17' ' ' LEU . 0.8 OUTLIER -127.7 116.11 19.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 72.319999999999993 110.93 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.494 HD12 ' HE1' ' G' ' 19' ' ' PHE . 3.9 mm? -121.37 110.61 16.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 70.099999999999994 110.94 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.737 ' CG2' HG12 ' F' ' 18' ' ' VAL . 27.0 m -118.74 119.17 60.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 74.409999999999997 111.113 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.494 ' HE1' HD12 ' G' ' 17' ' ' LEU . 6.9 m-85 -105.9 110.0 22.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 74.340000000000003 110.913 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 0.73 ' CZ ' HG22 ' F' ' 31' ' ' ILE . 4.6 m-30 59.47 63.58 1.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 64.340000000000003 110.85 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.4 137.84 32.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 71.230000000000004 111.109 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.38 77.69 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 75.329999999999998 110.868 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.603 HG23 ' CG1' ' F' ' 24' ' ' VAL . 6.9 p -113.54 137.54 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 61.109999999999999 111.138 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.62 -46.76 53.19 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 64.040000000000006 112.512 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 11.6 m -160.82 124.84 3.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 72.329999999999998 110.848 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . 0.521 ' CG ' HG21 ' G' ' 31' ' ' ILE . 21.7 m-20 -106.5 101.31 10.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 75.310000000000002 110.91 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.78 161.94 17.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.439999999999998 110.905 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.86 -136.18 48.87 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 62.240000000000002 112.494 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.56 ' HB2' ' CE2' ' B' ' 4' ' ' PHE . . . -83.17 113.89 20.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.752 0.31 . . . . 64.510000000000005 111.079 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.735 HG22 ' CZ ' ' H' ' 20' ' ' PHE . 2.0 mp -123.23 111.33 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 75.310000000000002 111.164 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 18.2 mt -136.27 118.63 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 72.010000000000005 111.156 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . 0.403 ' HA3' ' HB3' ' G' ' 19' ' ' PHE . . . -50.16 -48.15 40.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 64.109999999999999 112.521 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.706 HD22 ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -171.07 151.13 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 62.219999999999999 110.91 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 1.3 mtp -122.65 123.43 41.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 75.510000000000005 110.898 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.504 HG23 HD23 ' G' ' 34' ' ' LEU . 65.4 t -120.19 111.03 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 73.219999999999999 111.172 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.22 23.52 47.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 75.420000000000002 112.486 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.16 -169.77 25.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.758 . . . . 72.329999999999998 112.503 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.525 ' O ' HG23 ' H' ' 39' ' ' VAL . 3.3 p -168.27 120.82 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.909 0.385 . . . . 64.329999999999998 111.137 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.733 ' HA ' HG22 ' H' ' 40' ' ' VAL . 17.6 m . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 50.229999999999997 111.114 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.772 0.32 . . . . 70.299999999999997 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.19 87.22 5.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 54.409999999999997 111.095 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -57.1 -24.09 51.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 73.299999999999997 110.896 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 4' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' C' ' 30' ' ' ALA . 0.3 OUTLIER -167.64 115.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 73.549999999999997 110.903 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -128.66 109.03 10.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 64.420000000000002 110.909 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -107.53 120.22 41.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 65.319999999999993 110.855 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -126.74 101.28 6.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 74.230000000000004 110.887 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -148.29 175.22 11.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 72.019999999999996 110.834 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.48 -10.14 39.25 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 60.43 112.492 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.32 114.2 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 73.140000000000001 110.919 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -102.04 120.07 39.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 74.430000000000007 110.863 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 48.5 t -131.48 114.27 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 45.119999999999997 111.093 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 61.5 m170 -115.5 123.6 48.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 64.010000000000005 110.838 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -133.25 117.06 16.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 70.340000000000003 110.88 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -123.0 135.13 54.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 73.25 110.925 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . 0.501 ' O ' HD22 ' H' ' 17' ' ' LEU . 0.8 OUTLIER -125.78 116.42 21.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 63.409999999999997 110.924 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.503 HD12 ' HE1' ' H' ' 19' ' ' PHE . 4.0 mm? -123.18 109.92 14.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 73.239999999999995 110.934 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.727 ' CG2' HG12 ' G' ' 18' ' ' VAL . 27.3 m -119.31 120.09 62.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 54.219999999999999 111.124 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.503 ' HE1' HD12 ' H' ' 17' ' ' LEU . 4.6 m-85 -106.48 109.73 21.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 74.010000000000005 110.881 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . 0.735 ' CZ ' HG22 ' G' ' 31' ' ' ILE . 4.5 m-30 59.52 63.4 1.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 71.299999999999997 110.862 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.07 137.23 33.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 54.030000000000001 111.083 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.33 77.23 0.26 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 63.340000000000003 110.84 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.587 HG23 ' CG1' ' G' ' 24' ' ' VAL . 6.8 p -113.29 137.95 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 65.109999999999999 111.144 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.81 -46.83 51.31 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.745 -0.741 . . . . 63.219999999999999 112.49 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 11.9 m -160.41 125.39 3.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 65.319999999999993 110.914 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . 0.448 ' ND2' HG21 ' H' ' 31' ' ' ILE . 22.3 m-20 -107.04 100.75 10.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 62.219999999999999 110.867 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.93 161.76 17.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 41.009999999999998 110.923 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.89 -136.18 46.36 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 71.530000000000001 112.47 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . 0.538 ' HB2' ' CE2' ' C' ' 4' ' ' PHE . . . -82.88 113.77 20.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.723 0.297 . . . . 71.010000000000005 111.077 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.744 HG22 ' CZ ' ' I' ' 20' ' ' PHE . 2.0 mp -122.34 110.5 27.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 71.209999999999994 111.151 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 14.1 mt -134.14 118.88 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 63.43 111.137 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.1 -46.66 56.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 31.23 112.499 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.777 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -170.26 150.48 3.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.844 0.354 . . . . 71.439999999999998 110.904 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 1.4 mtp -121.84 122.14 38.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 74.209999999999994 110.898 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.52 HG23 HD23 ' H' ' 34' ' ' LEU . 69.1 t -121.27 111.15 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 62.340000000000003 111.105 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 54.29 24.75 30.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 52.030000000000001 112.517 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.73 -169.63 25.44 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.737 -0.744 . . . . 64.329999999999998 112.476 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.525 HG23 ' O ' ' G' ' 39' ' ' VAL . 3.4 p -168.32 120.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 72.299999999999997 111.121 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . 0.734 ' HA ' HG22 ' I' ' 40' ' ' VAL . 18.0 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 54.530000000000001 111.128 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.843 0.354 . . . . 62.43 110.914 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.82 86.5 5.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 65.109999999999999 111.081 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -56.76 -24.22 48.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 75.530000000000001 110.912 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 4' ' ' PHE . . . . . 0.531 ' CE2' ' HB2' ' D' ' 30' ' ' ALA . 0.3 OUTLIER -167.92 115.38 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 74.540000000000006 110.865 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -128.6 109.09 11.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 74.230000000000004 110.905 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -107.18 120.11 41.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 63.130000000000003 110.877 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -126.86 101.36 6.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 64.140000000000001 110.875 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -148.5 174.82 11.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 73.420000000000002 110.843 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.72 -9.72 39.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.731 . . . . 73.430000000000007 112.497 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.16 113.94 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.917 0.389 . . . . 74.510000000000005 110.902 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -101.86 120.31 40.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.109 -0.496 . . . . 74.099999999999994 110.841 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -131.54 114.29 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 54.229999999999997 111.134 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -115.44 123.56 48.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 75.230000000000004 110.847 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -133.38 117.19 16.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 74.340000000000003 110.833 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -123.76 135.06 53.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 65.420000000000002 110.915 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . 0.565 ' O ' HD22 ' I' ' 17' ' ' LEU . 0.8 OUTLIER -124.44 116.73 23.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 73.040000000000006 110.926 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.565 HD22 ' O ' ' I' ' 16' ' ' LYS . 4.2 mm? -125.09 108.98 12.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 62.450000000000003 110.93 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . 0.704 HG12 ' CG2' ' J' ' 18' ' ' VAL . 27.8 m -119.01 120.21 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 73.200000000000003 111.116 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . 0.484 ' HE1' HD12 ' I' ' 17' ' ' LEU . 2.8 m-85 -106.09 109.1 20.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 73.209999999999994 110.867 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . 0.744 ' CZ ' HG22 ' H' ' 31' ' ' ILE . 4.5 m-30 59.79 64.1 1.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 72.049999999999997 110.889 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.61 137.02 35.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 65.420000000000002 111.075 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.15 77.46 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 60.340000000000003 110.854 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.613 ' CG1' HG23 ' J' ' 24' ' ' VAL . 7.2 p -113.4 137.52 46.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 75.310000000000002 111.099 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.55 -46.3 55.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 43.329999999999998 112.451 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 12.0 m -160.47 125.32 3.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.892 0.377 . . . . 64.340000000000003 110.865 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . 0.436 ' OD1' HG21 ' I' ' 24' ' ' VAL . 20.8 m-20 -106.44 99.82 9.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 62.520000000000003 110.874 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.57 161.67 18.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 73.019999999999996 110.864 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.45 -135.47 44.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.74 . . . . 63.0 112.485 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.524 ' HB2' ' CE2' ' D' ' 4' ' ' PHE . . . -82.72 113.78 20.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.724 0.297 . . . . 72.230000000000004 111.141 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.726 HG22 ' CZ ' ' J' ' 20' ' ' PHE . 2.1 mp -121.9 110.38 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 65.209999999999994 111.16 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 13.6 mt -133.11 119.0 34.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 62.130000000000003 111.171 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.04 -46.87 68.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.761 . . . . 73.439999999999998 112.526 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.751 HD22 ' O ' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -168.56 149.14 4.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.746 0.308 . . . . 62.210000000000001 110.959 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 1.5 mtp -122.33 120.51 34.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 73.140000000000001 110.879 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.527 HG23 HD23 ' I' ' 34' ' ' LEU . 74.2 t -121.26 110.71 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 73.340000000000003 111.101 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.16 25.67 25.99 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.748 -0.739 . . . . 72.329999999999998 112.539 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.01 -169.27 26.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.786 -0.721 . . . . 75.400000000000006 112.482 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 0.548 ' O ' HG23 ' J' ' 39' ' ' VAL . 3.7 p -168.07 120.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.356 . . . . 72.230000000000004 111.182 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . 0.734 HG22 ' HA ' ' H' ' 40' ' ' VAL . 18.6 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 75.549999999999997 111.115 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.842 0.354 . . . . 65.430000000000007 110.928 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.88 87.37 5.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 55.039999999999999 111.111 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -56.47 -25.01 49.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 75.140000000000001 110.864 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 4' ' ' PHE . . . . . 0.412 ' CZ ' ' HB2' ' E' ' 30' ' ' ALA . 0.3 OUTLIER -167.66 115.44 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 74.450000000000003 110.916 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -127.77 109.03 11.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 75.530000000000001 110.905 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -107.4 119.97 40.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 63.219999999999999 110.845 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -126.21 101.17 6.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 71.049999999999997 110.849 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 2.9 m -149.27 171.58 16.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 71.219999999999999 110.876 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.6 -8.96 44.94 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.75 . . . . 41.420000000000002 112.445 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -170.98 112.58 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 74.209999999999994 110.884 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -101.99 120.28 40.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 72.530000000000001 110.864 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -131.23 114.97 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 52.009999999999998 111.138 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -115.48 122.68 46.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 72.200000000000003 110.891 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -132.24 117.42 18.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 74.400000000000006 110.839 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -124.07 136.04 53.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 72.349999999999994 110.928 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . 0.596 ' O ' HD22 ' J' ' 17' ' ' LEU . 0.8 OUTLIER -124.65 115.54 20.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 71.099999999999994 110.886 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.596 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.3 mm? -126.44 105.96 9.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 72.430000000000007 110.861 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.704 ' CG2' HG12 ' I' ' 18' ' ' VAL . 30.6 m -115.9 122.44 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 73.349999999999994 111.186 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -107.1 108.29 19.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 65.109999999999999 110.887 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . 0.726 ' CZ ' HG22 ' I' ' 31' ' ' ILE . 4.5 m-30 60.02 64.23 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 75.430000000000007 110.888 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.5 137.05 36.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 62.43 111.083 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.91 77.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 71.25 110.867 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.613 HG23 ' CG1' ' I' ' 24' ' ' VAL . 7.0 p -114.28 137.58 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 63.32 111.088 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.68 -46.63 53.26 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.737 -0.744 . . . . 55.030000000000001 112.479 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 11.5 m -161.02 124.76 3.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.888 0.375 . . . . 44.109999999999999 110.839 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -105.79 99.28 8.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 75.409999999999997 110.912 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.72 162.26 17.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 71.439999999999998 110.917 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.08 -134.99 40.08 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.788 -0.72 . . . . 60.350000000000001 112.516 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 0.446 ' HB2' ' CE2' ' E' ' 4' ' ' PHE . . . -82.4 113.45 20.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 63.409999999999997 111.102 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.451 HG23 ' HE2' ' J' ' 20' ' ' PHE . 2.2 mp -119.92 112.14 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 62.32 111.126 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 11.6 mt -130.25 114.28 28.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 54.009999999999998 111.14 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.9 -43.14 81.77 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.717 -0.754 . . . . 45.350000000000001 112.53 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.66 HD22 ' O ' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -168.73 146.81 4.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.82 0.343 . . . . 74.519999999999996 110.919 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mtp -123.54 120.05 31.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 74.200000000000003 110.916 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.456 HG23 HD23 ' J' ' 34' ' ' LEU . 82.0 t -127.83 109.95 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 51.32 111.128 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.95 24.93 22.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.673 -0.775 . . . . 74.519999999999996 112.553 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.08 -168.65 26.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 65.109999999999999 112.455 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.548 HG23 ' O ' ' I' ' 39' ' ' VAL . 4.0 p -168.25 121.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 55.409999999999997 111.146 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.631 HG22 ' HA ' ' I' ' 40' ' ' VAL . 18.2 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 60.439999999999998 111.138 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.828 0.347 . . . . 41.399999999999999 110.817 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.75 78.16 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 51.520000000000003 111.12 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.408 ' HA ' ' HA2' ' F' ' 29' ' ' GLY . 1.8 mp0 -53.96 -47.84 70.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 71.530000000000001 110.909 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.614 ' CZ ' ' HB2' ' F' ' 30' ' ' ALA . 17.5 m-85 -142.51 113.13 7.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 42.299999999999997 110.891 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -138.33 108.62 6.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 73.120000000000005 110.869 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -111.67 130.86 55.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 73.129999999999995 110.861 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -135.33 101.89 4.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 71.540000000000006 110.885 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -154.77 127.63 8.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 54.200000000000003 110.833 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.62 -28.98 31.25 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 73.019999999999996 112.505 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -149.62 112.46 4.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 74.120000000000005 110.912 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -110.04 124.06 50.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 73.010000000000005 110.907 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.8 t -135.33 113.56 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 71.420000000000002 111.127 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -120.03 132.75 55.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 73.540000000000006 110.83 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -134.95 122.68 22.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 54.409999999999997 110.893 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -129.2 132.87 47.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 72.010000000000005 110.89 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -128.57 116.4 19.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 73.319999999999993 110.906 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.473 HD12 ' HE1' ' A' ' 19' ' ' PHE . 3.8 mm? -115.05 110.85 20.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 70.450000000000003 110.913 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.716 HG12 ' CG2' ' B' ' 18' ' ' VAL . 27.0 m -115.66 122.37 69.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 75.010000000000005 111.115 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.473 ' HE1' HD12 ' A' ' 17' ' ' LEU . 8.8 m-85 -105.99 107.63 18.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 74.239999999999995 110.854 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 59.16 89.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 65.239999999999995 110.878 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.31 129.79 55.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 72.430000000000007 111.092 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 62.96 102.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 64.430000000000007 110.909 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.69 HG13 HG23 ' B' ' 24' ' ' VAL . 13.5 p -146.22 135.7 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 75.25 111.109 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.54 -48.76 84.44 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.799 -0.715 . . . . 71.439999999999998 112.492 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.3 m -160.57 139.78 10.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 42.439999999999998 110.87 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.47 ' OD1' HG21 ' A' ' 24' ' ' VAL . 60.8 m-20 -114.38 103.47 11.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 70.129999999999995 110.932 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -115.31 176.3 5.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 75.109999999999999 110.921 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.28 -135.38 27.57 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.731 -0.747 . . . . 62.109999999999999 112.515 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.544 ' HB2' ' CZ ' ' F' ' 4' ' ' PHE . . . -87.96 113.8 23.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 71.219999999999999 111.1 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.679 HG22 ' CZ ' ' B' ' 20' ' ' PHE . 1.9 mp -122.57 106.69 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 41.119999999999997 111.122 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 mt -135.17 117.41 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 64.109999999999999 111.115 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.54 -49.67 20.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 71.310000000000002 112.47 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.835 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -155.94 152.29 28.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 64.409999999999997 110.915 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.45 ' HE1' HG12 ' B' ' 39' ' ' VAL . 7.8 mmm -125.26 123.03 38.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 74.549999999999997 110.84 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.743 HG21 HG21 ' F' ' 36' ' ' VAL . 90.7 t -109.22 115.12 48.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 45.329999999999998 111.091 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.67 -51.06 0.78 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 71.5 112.517 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.23 152.68 6.55 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.702 -0.761 . . . . 74.209999999999994 112.45 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.926 HG23 HG13 ' B' ' 39' ' ' VAL . 4.0 p -114.78 143.2 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 61.020000000000003 111.132 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.659 ' CG2' HG12 ' B' ' 40' ' ' VAL . 18.4 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 72.519999999999996 111.068 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.838 0.351 . . . . 73.219999999999999 110.903 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.54 78.57 1.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 75.25 111.068 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.403 ' HA ' ' HA2' ' G' ' 29' ' ' GLY . 1.8 mp0 -54.0 -46.5 71.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 74.019999999999996 110.897 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.645 ' CZ ' ' HB2' ' G' ' 30' ' ' ALA . 14.7 m-85 -144.09 113.4 6.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 75.340000000000003 110.953 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -135.96 109.33 7.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 72.209999999999994 110.901 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -112.23 131.29 55.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 73.430000000000007 110.88 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -135.81 102.24 5.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 65.040000000000006 110.828 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 10.7 t -156.27 126.79 6.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 62.130000000000003 110.907 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.3 -28.35 34.81 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 72.319999999999993 112.491 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -149.65 111.43 4.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.362 . . . . 72.299999999999997 110.919 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -106.85 125.16 50.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 75.420000000000002 110.895 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.4 t -134.3 113.39 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 71.299999999999997 111.117 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 60.0 m170 -120.34 131.6 54.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 62.43 110.842 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -134.81 123.29 23.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 64.239999999999995 110.824 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -129.07 132.54 47.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.433 . . . . 64.400000000000006 110.911 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -126.94 115.82 19.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 52.219999999999999 110.917 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.529 HD12 ' HE1' ' B' ' 19' ' ' PHE . 3.7 mm? -118.19 109.95 16.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 72.310000000000002 110.929 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.722 HG12 ' CG2' ' C' ' 18' ' ' VAL . 33.0 m -117.3 121.55 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 75.540000000000006 111.099 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.529 ' HE1' HD12 ' B' ' 17' ' ' LEU . 3.9 m-30 -103.94 110.13 22.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 74.120000000000005 110.903 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.679 ' CZ ' HG22 ' A' ' 31' ' ' ILE . 4.5 m-30 59.3 88.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 71.420000000000002 110.887 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.5 129.42 55.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.349999999999994 111.149 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 62.92 103.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 65.219999999999999 110.872 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.69 HG23 HG13 ' A' ' 24' ' ' VAL . 13.9 p -147.48 134.1 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 73.140000000000001 111.11 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.93 -47.2 92.45 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 61.520000000000003 112.521 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 16.5 m -160.45 139.28 10.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.37 . . . . 71.420000000000002 110.858 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.542 ' OD1' HG21 ' B' ' 24' ' ' VAL . 57.6 m-20 -113.78 103.42 11.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 72.140000000000001 110.897 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -115.57 177.28 4.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 73.430000000000007 110.899 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.52 -135.49 28.57 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 54.109999999999999 112.488 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.566 ' HB2' ' CZ ' ' G' ' 4' ' ' PHE . . . -88.74 113.69 24.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 65.219999999999999 111.058 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.687 HG22 ' CZ ' ' C' ' 20' ' ' PHE . 1.9 mp -122.41 106.67 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 72.140000000000001 111.123 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -133.77 117.49 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 75.340000000000003 111.12 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.422 ' HA3' ' HB3' ' B' ' 19' ' ' PHE . . . -46.59 -50.45 14.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 55.109999999999999 112.516 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.829 ' N ' HD13 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -154.85 150.97 28.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 64.200000000000003 110.949 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 14.4 mmm -123.72 120.56 33.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 62.0 110.865 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.706 HG21 HG21 ' G' ' 36' ' ' VAL . 88.4 t -110.02 114.69 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 73.209999999999994 111.062 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.8 -50.9 0.79 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 73.150000000000006 112.466 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.34 151.96 6.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.75 . . . . 64.430000000000007 112.498 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.939 HG23 HG13 ' C' ' 39' ' ' VAL . 3.3 p -115.77 143.0 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 62.119999999999997 111.145 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.659 HG12 ' CG2' ' A' ' 40' ' ' VAL . 18.6 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 74.120000000000005 111.124 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.852 0.358 . . . . 73.0 110.854 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 2' ' ' ALA . . . . . 0.403 ' HA ' ' HB3' ' D' ' 2' ' ' ALA . . . -113.69 78.23 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 73.209999999999994 111.103 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . 0.4 ' HA ' ' HA2' ' H' ' 29' ' ' GLY . 1.8 mp0 -54.15 -46.86 72.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.437 . . . . 73.420000000000002 110.871 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . 0.642 ' CZ ' ' HB2' ' H' ' 30' ' ' ALA . 16.9 m-85 -143.59 113.76 7.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 72.109999999999999 110.883 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -134.89 108.71 8.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 75.340000000000003 110.842 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -112.21 130.35 55.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 73.409999999999997 110.859 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -134.7 101.9 5.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 73.450000000000003 110.822 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -156.17 126.85 6.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 74.109999999999999 110.876 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.66 -28.14 37.11 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 71.230000000000004 112.458 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -149.5 112.28 4.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.897 0.379 . . . . 65.239999999999995 110.886 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -106.46 125.3 50.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 74.519999999999996 110.877 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 24.1 t -133.98 113.52 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 64.310000000000002 111.148 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -120.0 131.18 55.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 73.299999999999997 110.838 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -134.98 122.48 21.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 61.32 110.883 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -129.68 132.48 46.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 74.450000000000003 110.928 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -125.65 115.91 20.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 71.209999999999994 110.916 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.525 HD12 ' HE1' ' C' ' 19' ' ' PHE . 3.7 mm? -119.36 110.01 16.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 62.5 110.93 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.722 ' CG2' HG12 ' B' ' 18' ' ' VAL . 34.7 m -117.8 122.26 69.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 74.209999999999994 111.173 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.525 ' HE1' HD12 ' C' ' 17' ' ' LEU . 2.9 m-30 -103.55 110.47 22.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 73.25 110.844 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.687 ' CZ ' HG22 ' B' ' 31' ' ' ILE . 4.3 m-30 59.0 88.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 74.310000000000002 110.907 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.55 129.58 55.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 62.340000000000003 111.087 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.32 103.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 71.430000000000007 110.85 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.688 HG23 HG13 ' B' ' 24' ' ' VAL . 14.8 p -147.8 133.3 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 72.25 111.147 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.42 -46.56 94.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.69 -0.767 . . . . 72.319999999999993 112.489 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 16.8 m -160.16 139.6 11.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.356 . . . . 61.030000000000001 110.905 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.547 ' OD1' HG21 ' C' ' 24' ' ' VAL . 57.0 m-20 -113.55 103.31 11.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 72.349999999999994 110.894 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.406 ' C ' HD11 ' C' ' 31' ' ' ILE . 1.6 tptm -116.0 177.59 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 64.420000000000002 110.919 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.49 -135.51 28.42 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 72.239999999999995 112.464 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.554 ' HB2' ' CZ ' ' H' ' 4' ' ' PHE . . . -88.48 113.71 24.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.769 0.319 . . . . 70.430000000000007 111.109 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.687 HG22 ' CZ ' ' D' ' 20' ' ' PHE . 1.9 mp -122.69 106.57 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 72.319999999999993 111.116 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -133.62 118.32 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 71.239999999999995 111.112 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.429 ' HA3' ' HB3' ' C' ' 19' ' ' PHE . . . -47.11 -50.92 15.15 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.751 . . . . 71.140000000000001 112.487 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.832 ' N ' HD13 ' C' ' 34' ' ' LEU . 0.0 OUTLIER -153.75 150.98 29.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.812 0.339 . . . . 74.319999999999993 110.932 -179.902 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 15.8 mmm -124.87 119.14 27.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 63.229999999999997 110.916 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.747 HG21 HG21 ' H' ' 36' ' ' VAL . 86.6 t -110.26 115.54 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 62.310000000000002 111.124 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.06 -51.45 0.76 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 55.240000000000002 112.487 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.47 151.71 6.11 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.776 -0.726 . . . . 54.240000000000002 112.509 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.939 HG13 HG23 ' B' ' 39' ' ' VAL . 3.2 p -115.05 142.85 26.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 73.209999999999994 111.169 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.646 ' CG2' HG12 ' D' ' 40' ' ' VAL . 19.7 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 53.420000000000002 111.152 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.793 0.33 . . . . 63.329999999999998 110.853 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 2' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' C' ' 2' ' ' ALA . . . -113.12 76.45 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 71.549999999999997 111.095 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 3' ' ' GLU . . . . . 0.4 ' HA ' ' HA2' ' I' ' 29' ' ' GLY . 1.8 mp0 -53.33 -47.71 69.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 73.310000000000002 110.874 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 4' ' ' PHE . . . . . 0.631 ' CZ ' ' HB2' ' I' ' 30' ' ' ALA . 17.8 m-85 -143.7 113.57 7.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 63.399999999999999 110.846 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -133.24 108.54 8.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 74.120000000000005 110.873 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -111.79 129.51 56.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 65.120000000000005 110.852 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -133.31 101.27 5.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 72.400000000000006 110.828 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -156.71 127.09 6.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 75.310000000000002 110.872 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.85 -27.62 44.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 72.450000000000003 112.481 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -149.3 112.93 5.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 75.409999999999997 110.909 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -106.48 126.06 51.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.063 -0.517 . . . . 72.409999999999997 110.906 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 24.6 t -134.07 114.13 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 64.450000000000003 111.136 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 59.6 m170 -120.04 132.26 55.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 63.219999999999999 110.863 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -135.73 122.81 21.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 64.420000000000002 110.808 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -130.25 132.08 45.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 73.319999999999993 110.905 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -124.73 115.49 20.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 73.430000000000007 110.89 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.434 ' CB ' HD13 ' E' ' 17' ' ' LEU . 3.8 mm? -121.12 110.16 15.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 72.019999999999996 110.93 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.705 ' CG2' HG12 ' C' ' 18' ' ' VAL . 26.8 m -118.36 122.74 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 71.010000000000005 111.094 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.43 ' HE1' HD12 ' D' ' 17' ' ' LEU . 2.2 m-30 -102.59 109.64 21.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 74.140000000000001 110.87 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.687 ' CZ ' HG22 ' C' ' 31' ' ' ILE . 4.4 m-30 59.03 89.17 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 43.310000000000002 110.866 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.94 129.44 55.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 62.420000000000002 111.122 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.71 103.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 54.420000000000002 110.847 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.671 HG23 HG13 ' C' ' 24' ' ' VAL . 14.5 p -148.05 133.0 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 65.200000000000003 111.182 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.64 -46.62 93.88 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 45.109999999999999 112.518 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 17.1 m -159.74 139.87 11.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.903 0.382 . . . . 62.030000000000001 110.886 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.544 ' OD1' HG21 ' D' ' 24' ' ' VAL . 57.4 m-20 -113.02 103.15 11.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 54.009999999999998 110.888 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 0.418 ' C ' HD11 ' D' ' 31' ' ' ILE . 1.7 tptm -116.64 177.71 4.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 73.310000000000002 110.878 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.96 -134.83 31.32 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 63.009999999999998 112.485 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.547 ' HB2' ' CZ ' ' I' ' 4' ' ' PHE . . . -89.14 113.94 25.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 72.219999999999999 111.12 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.7 HG22 ' CZ ' ' E' ' 20' ' ' PHE . 1.9 mp -122.99 106.86 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 54.32 111.14 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -133.61 120.25 36.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 63.329999999999998 111.095 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . 0.469 ' C ' HD13 ' D' ' 34' ' ' LEU . . . -48.96 -52.89 20.32 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.722 -0.751 . . . . 65.040000000000006 112.505 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.817 ' N ' HD13 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -151.19 148.96 28.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 72.340000000000003 110.895 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 15.7 mmm -124.06 118.38 26.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 65.129999999999995 110.893 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.855 HG21 HG21 ' I' ' 36' ' ' VAL . 85.0 t -111.46 116.0 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 72.540000000000006 111.126 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.56 -51.96 0.73 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.79 -0.719 . . . . 73.329999999999998 112.494 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.18 152.25 6.28 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 45.119999999999997 112.483 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.9 HG13 HG23 ' C' ' 39' ' ' VAL . 3.2 p -114.86 143.02 25.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.916 0.389 . . . . 71.420000000000002 111.116 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.653 ' CG2' HG12 ' E' ' 40' ' ' VAL . 19.2 m . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 72.5 111.101 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.833 0.349 . . . . 74.430000000000007 110.839 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.0 79.61 1.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 70.030000000000001 111.096 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 3' ' ' GLU . . . . . 0.414 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . 1.8 mp0 -51.36 -46.28 62.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 72.239999999999995 110.893 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 4' ' ' PHE . . . . . 0.612 ' CZ ' ' HB2' ' J' ' 30' ' ' ALA . 19.6 m-85 -143.53 114.9 7.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 71.129999999999995 110.866 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -131.64 107.7 9.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 74.420000000000002 110.893 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -112.35 128.93 56.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 73.25 110.899 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -131.4 100.26 5.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 72.400000000000006 110.836 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -157.07 127.93 6.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 71.409999999999997 110.854 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.19 -25.88 57.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 61.329999999999998 112.493 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -149.22 112.16 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.366 . . . . 72.140000000000001 110.875 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -105.58 126.5 52.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.085 -0.507 . . . . 75.409999999999997 110.89 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 24.6 t -132.8 114.29 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 71.209999999999994 111.116 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -119.99 131.18 55.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 75.329999999999998 110.867 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -134.79 122.83 22.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 74.109999999999999 110.874 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -132.32 132.96 43.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 72.409999999999997 110.917 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . 0.412 ' O ' HD22 ' E' ' 17' ' ' LEU . 6.7 tttp -125.48 114.97 19.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 72.219999999999999 110.929 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.434 HD13 ' CB ' ' D' ' 17' ' ' LEU . 3.9 mm? -121.75 107.7 12.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 70.129999999999995 110.906 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.691 ' CG2' HG12 ' D' ' 18' ' ' VAL . 29.3 m -115.31 125.45 72.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 74.349999999999994 111.165 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -102.85 108.72 20.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 75.329999999999998 110.869 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.7 ' CZ ' HG22 ' D' ' 31' ' ' ILE . 4.6 m-30 59.44 89.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 70.230000000000004 110.866 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.84 129.87 55.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 74.439999999999998 111.088 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.04 104.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 75.549999999999997 110.87 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.659 HG23 ' CG1' ' D' ' 24' ' ' VAL . 13.7 p -150.06 132.76 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 74.239999999999995 111.138 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.45 -46.42 93.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 55.350000000000001 112.478 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 16.4 m -160.25 140.1 11.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.37 . . . . 74.430000000000007 110.826 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.541 ' OD1' HG21 ' E' ' 24' ' ' VAL . 56.0 m-20 -112.12 102.4 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 71.239999999999995 110.882 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -116.76 178.15 4.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 73.150000000000006 110.893 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.6 -134.39 34.42 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.759 . . . . 71.040000000000006 112.498 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.524 ' HB2' ' CZ ' ' J' ' 4' ' ' PHE . . . -88.93 113.76 24.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 74.409999999999997 111.105 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.444 HG23 ' HE2' ' E' ' 20' ' ' PHE . 2.0 mp -122.63 107.31 19.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 73.019999999999996 111.136 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -132.32 118.22 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 75.299999999999997 111.132 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . 0.613 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -49.73 -49.33 34.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 74.219999999999999 112.493 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.741 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -152.15 150.89 30.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 63.530000000000001 110.971 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 24.2 mmm -128.82 118.26 22.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 72.209999999999994 110.866 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.913 HG21 HG21 ' J' ' 36' ' ' VAL . 85.7 t -117.11 115.71 49.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 74.230000000000004 111.137 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.48 -49.64 0.86 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.73 . . . . 71.129999999999995 112.487 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 134.58 151.24 6.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 71.219999999999999 112.496 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.88 HG13 HG23 ' D' ' 39' ' ' VAL . 3.9 p -115.45 142.48 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 52.340000000000003 111.15 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.653 HG12 ' CG2' ' D' ' 40' ' ' VAL . 19.1 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 61.240000000000002 111.125 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.805 0.336 . . . . 74.439999999999998 110.884 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' F' F ' 2' ' ' ALA . . . . . 0.4 ' HA ' ' HB3' ' G' ' 2' ' ' ALA . . . -112.42 77.19 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 73.510000000000005 111.11 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -52.82 -50.2 64.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 52.520000000000003 110.853 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 4' ' ' PHE . . . . . 0.544 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 14.9 m-85 -140.82 113.97 8.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.439999999999998 110.905 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -137.98 109.08 6.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 75.420000000000002 110.82 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -111.23 130.36 55.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 72.409999999999997 110.849 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -135.05 102.19 5.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 71.340000000000003 110.878 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 10.7 t -154.76 127.37 8.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 61.130000000000003 110.813 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.65 -29.17 31.97 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 52.219999999999999 112.5 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -149.51 112.28 4.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 74.239999999999995 110.909 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -109.16 124.07 50.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 73.040000000000006 110.866 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 23.2 t -134.29 113.55 17.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 73.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -120.69 132.4 55.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 73.549999999999997 110.846 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -135.79 121.9 20.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 71.420000000000002 110.854 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -129.66 133.02 46.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 63.020000000000003 110.903 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -129.31 116.96 19.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 74.209999999999994 110.874 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.465 HD12 ' HE1' ' F' ' 19' ' ' PHE . 3.8 mm? -114.73 111.34 21.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 71.409999999999997 110.896 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.715 HG12 ' CG2' ' G' ' 18' ' ' VAL . 27.9 m -115.73 122.4 69.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 74.510000000000005 111.096 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.465 ' HE1' HD12 ' F' ' 17' ' ' LEU . 8.8 m-85 -105.27 107.96 19.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 74.25 110.882 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 59.33 88.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 74.030000000000001 110.878 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.63 129.98 55.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 55.420000000000002 111.087 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.78 103.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 72.329999999999998 110.853 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.665 ' CG1' HG23 ' G' ' 24' ' ' VAL . 14.3 p -146.13 134.94 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 65.450000000000003 111.153 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.8 -48.64 84.24 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.766 -0.731 . . . . 71.420000000000002 112.487 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 17.1 m -160.64 139.59 10.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.382 . . . . 55.140000000000001 110.854 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . 0.42 ' HB3' HD13 ' F' ' 31' ' ' ILE . 49.3 m-20 -109.4 102.81 11.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 74.439999999999998 110.854 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -114.34 173.64 6.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 54.210000000000001 110.87 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . 0.408 ' HA2' ' HA ' ' A' ' 3' ' ' GLU . . . 50.11 -139.89 18.69 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 64.129999999999995 112.528 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.614 ' HB2' ' CZ ' ' A' ' 4' ' ' PHE . . . -87.26 114.52 23.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.776 0.322 . . . . 72.129999999999995 111.067 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.66 HG22 ' CZ ' ' G' ' 20' ' ' PHE . 2.0 mp -120.96 109.08 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 75.120000000000005 111.1 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -133.61 117.05 25.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 61.539999999999999 111.125 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.03 -50.14 16.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 64.219999999999999 112.462 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.833 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -156.84 152.39 26.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 64.049999999999997 110.914 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . 0.459 ' HE1' HG12 ' G' ' 39' ' ' VAL . 8.8 mmm -124.86 122.89 38.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 44.399999999999999 110.882 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.743 HG21 HG21 ' A' ' 36' ' ' VAL . 90.4 t -109.15 114.61 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 73.209999999999994 111.128 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.95 -50.8 0.8 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.769 -0.729 . . . . 64.319999999999993 112.465 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.13 152.92 6.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.763 . . . . 71.439999999999998 112.491 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.953 HG23 HG13 ' G' ' 39' ' ' VAL . 3.8 p -114.5 142.93 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 74.129999999999995 111.156 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.644 ' CG2' HG12 ' G' ' 40' ' ' VAL . 18.9 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 65.420000000000002 111.094 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.802 0.335 . . . . 51.219999999999999 110.83 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' G' G ' 2' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' F' ' 2' ' ' ALA . . . -112.06 76.74 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 71.400000000000006 111.067 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.88 -49.77 65.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 75.140000000000001 110.887 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 4' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' B' ' 30' ' ' ALA . 15.6 m-85 -141.95 114.37 8.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 74.420000000000002 110.89 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -136.41 110.66 8.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 72.239999999999995 110.86 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -112.84 131.19 55.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 74.549999999999997 110.858 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -135.75 102.37 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 72.049999999999997 110.873 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 10.7 t -156.3 126.63 6.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 71.239999999999995 110.881 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.46 -28.24 35.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 65.099999999999994 112.473 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -149.45 111.42 4.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.808 0.337 . . . . 61.039999999999999 110.916 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -106.95 124.93 50.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 72.230000000000004 110.898 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 23.7 t -134.23 113.76 17.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 24.219999999999999 111.119 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -120.44 131.35 54.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 74.409999999999997 110.86 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -134.55 122.85 22.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 74.310000000000002 110.891 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -129.51 132.62 46.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 75.519999999999996 110.9 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -127.37 115.69 19.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 71.329999999999998 110.897 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.527 HD12 ' HE1' ' G' ' 19' ' ' PHE . 3.7 mm? -117.69 110.16 17.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 73.329999999999998 110.945 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.715 ' CG2' HG12 ' F' ' 18' ' ' VAL . 35.5 m -117.5 121.75 68.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 71.530000000000001 111.144 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.527 ' HE1' HD12 ' G' ' 17' ' ' LEU . 3.8 m-30 -103.46 109.89 21.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 64.140000000000001 110.9 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 0.66 ' CZ ' HG22 ' F' ' 31' ' ' ILE . 4.3 m-30 59.13 88.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 71.450000000000003 110.863 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.27 130.44 55.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 42.439999999999998 111.074 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 63.56 103.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 65.219999999999999 110.804 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.687 HG13 HG23 ' H' ' 24' ' ' VAL . 13.3 p -147.08 133.72 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 65.109999999999999 111.141 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.25 -47.35 91.5 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.742 -0.742 . . . . 44.329999999999998 112.515 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 18.2 m -160.59 139.39 10.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.899 0.38 . . . . 74.329999999999998 110.857 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . 0.471 ' OD1' HG21 ' G' ' 24' ' ' VAL . 54.7 m-20 -110.41 103.63 12.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 75.219999999999999 110.925 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -114.57 174.64 5.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 64.310000000000002 110.931 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' B' ' 3' ' ' GLU . . . 50.46 -140.14 20.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.706 -0.759 . . . . 72.109999999999999 112.506 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.645 ' HB2' ' CZ ' ' B' ' 4' ' ' PHE . . . -87.06 114.54 23.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.738 0.304 . . . . 61.340000000000003 111.117 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.672 HG22 ' CZ ' ' H' ' 20' ' ' PHE . 2.0 mp -120.99 108.8 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 62.109999999999999 111.087 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -132.67 117.55 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 72.129999999999995 111.098 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . 0.415 ' HA3' ' HB3' ' G' ' 19' ' ' PHE . . . -47.18 -50.94 15.51 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 44.229999999999997 112.467 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.831 ' N ' HD13 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -154.82 150.98 28.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.778 0.323 . . . . 64.409999999999997 110.912 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 14.1 mmm -124.06 120.56 32.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 73.409999999999997 110.876 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.706 HG21 HG21 ' B' ' 36' ' ' VAL . 90.3 t -109.9 114.43 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 74.140000000000001 111.142 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.03 -51.09 0.79 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 43.140000000000001 112.509 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.18 152.44 6.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 34.520000000000003 112.493 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.953 HG13 HG23 ' F' ' 39' ' ' VAL . 3.1 p -115.06 142.73 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 43.119999999999997 111.122 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.651 ' CG2' HG12 ' H' ' 40' ' ' VAL . 17.4 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 63.43 111.172 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.789 0.328 . . . . 71.209999999999994 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.92 77.07 1.01 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 63.200000000000003 111.126 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -52.37 -50.05 63.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 62.509999999999998 110.927 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 4' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' C' ' 30' ' ' ALA . 16.4 m-85 -141.21 114.27 8.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 71.430000000000007 110.888 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -135.27 109.38 8.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.15 -0.477 . . . . 74.310000000000002 110.837 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -112.43 130.31 56.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 65.140000000000001 110.848 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -134.88 102.29 5.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 64.209999999999994 110.857 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 10.7 t -156.12 126.62 6.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 51.009999999999998 110.861 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.63 -28.24 37.11 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.685 -0.769 . . . . 73.420000000000002 112.557 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -149.27 111.47 4.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.371 . . . . 74.310000000000002 110.932 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -105.71 124.88 50.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 70.430000000000007 110.904 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 24.0 t -134.1 113.66 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 63.130000000000003 111.149 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -120.3 131.35 54.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 70.349999999999994 110.807 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -135.33 122.52 21.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 74.25 110.871 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -130.18 132.63 46.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 64.510000000000005 110.893 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -125.66 116.44 21.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 71.219999999999999 110.882 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.512 HD12 ' HE1' ' H' ' 19' ' ' PHE . 3.6 mm? -119.4 109.82 16.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 74.219999999999999 110.934 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.71 ' CG2' HG12 ' G' ' 18' ' ' VAL . 35.5 m -117.6 122.5 69.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 74.319999999999993 111.114 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.512 ' HE1' HD12 ' H' ' 17' ' ' LEU . 3.0 m-30 -103.32 109.64 21.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 75.549999999999997 110.895 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . 0.672 ' CZ ' HG22 ' G' ' 31' ' ' ILE . 4.3 m-30 59.3 88.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 72.510000000000005 110.898 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.54 130.17 55.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 74.349999999999994 111.119 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.84 102.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 64.349999999999994 110.921 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.687 HG23 HG13 ' G' ' 24' ' ' VAL . 14.9 p -147.48 133.33 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 63.219999999999999 111.167 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.65 -47.26 92.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 54.25 112.482 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 18.3 m -160.18 139.46 10.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 62.439999999999998 110.856 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . 0.469 ' OD1' HG21 ' H' ' 24' ' ' VAL . 53.3 m-20 -110.39 103.24 11.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 72.409999999999997 110.902 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -114.6 175.22 5.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 73.040000000000006 110.891 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' C' ' 3' ' ' GLU . . . 50.6 -139.61 21.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 73.239999999999995 112.522 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . 0.642 ' HB2' ' CZ ' ' C' ' 4' ' ' PHE . . . -86.78 114.2 23.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 72.129999999999995 111.076 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.679 HG22 ' CZ ' ' I' ' 20' ' ' PHE . 1.9 mp -121.17 108.14 21.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 74.129999999999995 111.152 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -132.56 118.08 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 71.010000000000005 111.108 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . 0.411 ' HA3' ' HB3' ' H' ' 19' ' ' PHE . . . -47.49 -51.13 16.98 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 65.519999999999996 112.483 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.825 ' N ' HD13 ' H' ' 34' ' ' LEU . 0.0 OUTLIER -153.67 150.97 29.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 71.430000000000007 110.893 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 15.7 mmm -125.15 119.15 27.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 70.200000000000003 110.892 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.747 HG21 HG21 ' C' ' 36' ' ' VAL . 87.7 t -110.09 115.6 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 74.430000000000007 111.164 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.92 -51.51 0.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 34.119999999999997 112.466 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.16 152.75 6.4 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.747 -0.74 . . . . 55.240000000000002 112.464 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.936 HG13 HG23 ' G' ' 39' ' ' VAL . 3.0 p -115.02 142.59 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 71.340000000000003 111.128 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . 0.66 ' CG2' HG12 ' I' ' 40' ' ' VAL . 17.2 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 71.230000000000004 111.155 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.821 0.344 . . . . 71.129999999999995 110.862 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.5 77.8 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 64.219999999999999 111.097 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -51.89 -49.88 62.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 60.329999999999998 110.937 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 4' ' ' PHE . . . . . 0.547 ' CZ ' ' HB2' ' D' ' 30' ' ' ALA . 16.9 m-85 -141.72 114.24 8.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 75.239999999999995 110.877 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -134.25 109.55 8.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 42.509999999999998 110.895 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -112.34 129.61 56.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 74.430000000000007 110.909 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -133.86 101.68 5.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 73.209999999999994 110.885 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -156.66 126.78 6.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 62.130000000000003 110.85 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.53 -27.96 43.39 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.753 . . . . 64.040000000000006 112.469 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -149.1 112.55 5.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 61.140000000000001 110.916 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -105.51 125.48 51.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 52.420000000000002 110.875 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 24.5 t -133.61 113.98 19.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 75.0 111.15 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -119.72 132.18 55.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 74.25 110.837 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -135.68 122.5 21.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 60.43 110.891 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -130.55 132.2 45.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 73.299999999999997 110.906 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . 0.409 ' O ' HD22 ' I' ' 17' ' ' LEU . 6.8 tttp -125.0 115.61 20.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 70.329999999999998 110.883 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.437 ' CB ' HD13 ' J' ' 17' ' ' LEU . 3.8 mm? -121.29 110.14 15.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 70.129999999999995 110.911 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . 0.699 ' CG2' HG12 ' H' ' 18' ' ' VAL . 28.7 m -118.37 123.1 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 71.129999999999995 111.123 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . 0.427 ' N ' ' CD1' ' I' ' 19' ' ' PHE . 2.3 m-30 -102.75 109.06 20.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 75.450000000000003 110.848 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . 0.679 ' CZ ' HG22 ' H' ' 31' ' ' ILE . 4.3 m-30 59.08 88.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 61.450000000000003 110.877 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.34 130.11 55.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 74.319999999999993 111.111 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.61 102.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 71.319999999999993 110.883 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.678 HG23 HG13 ' H' ' 24' ' ' VAL . 14.8 p -147.76 133.02 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 74.019999999999996 111.127 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.82 -46.68 94.04 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 74.010000000000005 112.457 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 17.4 m -160.51 139.79 10.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 63.32 110.865 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . 0.469 ' OD1' HG21 ' I' ' 24' ' ' VAL . 52.4 m-20 -110.55 102.46 11.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 75.120000000000005 110.924 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -114.54 175.94 5.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 73.120000000000005 110.883 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' D' ' 3' ' ' GLU . . . 50.89 -138.32 26.0 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.77 -0.728 . . . . 64.120000000000005 112.515 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.631 ' HB2' ' CZ ' ' D' ' 4' ' ' PHE . . . -87.38 114.57 24.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.759 0.314 . . . . 64.209999999999994 111.099 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.692 HG22 ' CZ ' ' J' ' 20' ' ' PHE . 1.9 mp -121.89 108.14 21.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 74.209999999999994 111.134 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -132.76 119.95 39.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 71.129999999999995 111.129 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . 0.468 ' C ' HD13 ' I' ' 34' ' ' LEU . . . -49.25 -53.2 20.49 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 60.32 112.467 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.82 ' N ' HD13 ' I' ' 34' ' ' LEU . 0.0 OUTLIER -151.13 148.87 28.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.77 0.319 . . . . 70.439999999999998 110.936 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 16.3 mmm -124.0 118.33 26.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 55.140000000000001 110.877 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.855 HG21 HG21 ' D' ' 36' ' ' VAL . 84.4 t -111.02 115.96 51.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 74.040000000000006 111.123 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.42 -52.11 0.72 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 61.149999999999999 112.463 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.25 152.6 6.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 71.540000000000006 112.449 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 0.925 HG13 HG23 ' H' ' 39' ' ' VAL . 3.2 p -114.83 143.35 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 75.340000000000003 111.115 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . 0.66 HG12 ' CG2' ' H' ' 40' ' ' VAL . 18.1 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 63.039999999999999 111.145 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.82 0.343 . . . . 73.340000000000003 110.849 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.37 77.14 1.02 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 71.209999999999994 111.123 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -51.41 -49.57 61.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 71.129999999999995 110.879 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 4' ' ' PHE . . . . . 0.524 ' CZ ' ' HB2' ' E' ' 30' ' ' ALA . 16.8 m-85 -142.25 115.08 8.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 71.239999999999995 110.913 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -133.37 108.6 8.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 74.129999999999995 110.843 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -112.2 128.07 56.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 62.140000000000001 110.884 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -131.22 100.96 5.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 73.140000000000001 110.864 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 10.9 t -157.09 127.87 6.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 74.25 110.84 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.99 -26.45 58.23 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.692 -0.766 . . . . 74.530000000000001 112.551 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -149.08 111.89 4.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.838 0.351 . . . . 73.129999999999995 110.947 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -104.43 126.77 51.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 71.530000000000001 110.87 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 24.7 t -133.37 114.04 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 75.349999999999994 111.127 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -119.66 131.1 55.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 74.129999999999995 110.865 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -134.98 122.96 22.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 74.340000000000003 110.837 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -132.93 132.87 42.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 70.129999999999995 110.897 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . 0.428 ' O ' HD22 ' J' ' 17' ' ' LEU . 6.7 tttp -125.27 115.28 20.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 70.099999999999994 110.896 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.437 HD13 ' CB ' ' I' ' 17' ' ' LEU . 3.9 mm? -121.95 107.02 11.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 70.430000000000007 110.925 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.695 ' CG2' HG12 ' I' ' 18' ' ' VAL . 27.9 m -114.9 125.84 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 53.240000000000002 111.123 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.412 ' N ' ' CD1' ' J' ' 19' ' ' PHE . 1.9 m-85 -102.51 108.95 20.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 74.540000000000006 110.91 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . 0.692 ' CZ ' HG22 ' I' ' 31' ' ' ILE . 4.5 m-30 59.35 89.71 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 74.439999999999998 110.884 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.63 130.56 55.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.505 . . . . 73.150000000000006 111.061 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.51 103.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 63.009999999999998 110.869 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.648 HG23 ' CG1' ' I' ' 24' ' ' VAL . 13.7 p -149.6 132.49 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 75.120000000000005 111.102 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.39 -46.56 93.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.722 . . . . 74.25 112.467 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 17.2 m -160.4 139.72 10.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 73.219999999999999 110.887 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . 0.491 ' OD1' HG21 ' J' ' 24' ' ' VAL . 57.4 m-20 -109.26 101.69 10.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 73.030000000000001 110.871 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -114.77 176.74 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 70.010000000000005 110.909 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . 0.414 ' HA2' ' HA ' ' E' ' 3' ' ' GLU . . . 51.38 -138.43 28.03 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 64.200000000000003 112.466 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 0.612 ' HB2' ' CZ ' ' E' ' 4' ' ' PHE . . . -87.16 114.43 23.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.764 0.316 . . . . 72.400000000000006 111.085 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.475 HG23 ' HE2' ' J' ' 20' ' ' PHE . 2.1 mp -120.79 108.52 23.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 73.010000000000005 111.115 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . 0.41 HG21 ' HG2' ' J' ' 35' ' ' MET . 2.5 mt -130.89 117.06 36.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 62.210000000000001 111.116 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . 0.593 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -49.7 -49.75 33.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.743 . . . . 74.140000000000001 112.467 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.753 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -152.24 150.91 30.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.336 . . . . 72.540000000000006 110.898 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . 0.41 ' HG2' HG21 ' J' ' 32' ' ' ILE . 22.7 mmm -128.91 118.44 22.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 44.200000000000003 110.854 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.913 HG21 HG21 ' E' ' 36' ' ' VAL . 90.8 t -116.98 115.75 49.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 63.240000000000002 111.098 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.4 -49.39 0.87 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 51.539999999999999 112.484 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 134.57 151.23 6.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.723 . . . . 71.219999999999999 112.506 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.85 HG13 HG23 ' I' ' 39' ' ' VAL . 4.0 p -115.61 142.72 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.93 0.395 . . . . 74.420000000000002 111.108 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.643 HG12 ' CG2' ' I' ' 40' ' ' VAL . 19.1 m . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 72.219999999999999 111.139 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.825 0.345 . . . . 75.140000000000001 110.845 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.71 75.54 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 71.219999999999999 111.112 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.64 -31.31 24.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 70.420000000000002 110.905 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.742 ' CD2' ' HB2' ' F' ' 30' ' ' ALA . 1.4 t80 -164.3 115.42 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 64.420000000000002 110.911 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -127.37 109.3 11.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 74.150000000000006 110.877 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -108.98 108.44 19.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 75.340000000000003 110.898 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -115.34 102.01 9.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 71.319999999999993 110.843 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.0 p -149.96 175.43 11.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 74.439999999999998 110.898 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.73 -28.22 55.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 72.329999999999998 112.518 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.453 ' HD1' HG23 ' A' ' 12' ' ' VAL . 29.3 p90 -173.94 149.06 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.357 . . . . 75.329999999999998 110.9 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -108.1 119.36 39.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 72.409999999999997 110.912 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.453 HG23 ' HD1' ' A' ' 10' ' ' TYR . 97.9 t -134.58 113.99 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 62.350000000000001 111.115 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -128.95 122.09 29.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 72.310000000000002 110.819 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -129.1 125.78 37.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 63.240000000000002 110.859 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.437 ' HG3' HG12 ' F' ' 39' ' ' VAL . 0.0 OUTLIER -126.49 136.2 52.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 74.329999999999998 110.934 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.405 ' HD3' HG13 ' A' ' 18' ' ' VAL . 4.5 tttp -128.04 128.38 44.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 63.200000000000003 110.859 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.2 mt -126.23 108.2 11.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 62.329999999999998 110.929 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.732 HG12 ' CG2' ' B' ' 18' ' ' VAL . 28.3 m -115.23 119.22 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 71.310000000000002 111.153 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.442 ' HD2' HD12 ' B' ' 34' ' ' LEU . 5.4 m-85 -111.81 143.15 43.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 71.140000000000001 110.893 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.562 ' HE1' HG22 ' A' ' 31' ' ' ILE . 15.8 m-85 60.68 30.49 19.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 60.520000000000003 110.89 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.81 135.69 33.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 73.549999999999997 111.066 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 61.41 72.93 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 75.219999999999999 110.889 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.4 p -140.45 144.96 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 72.120000000000005 111.154 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.78 -58.96 5.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 74.099999999999994 112.464 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.4 m -159.66 141.79 13.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 72.049999999999997 110.879 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -108.26 107.33 17.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 70.319999999999993 110.877 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -114.77 163.34 15.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 64.549999999999997 110.894 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.69 -138.87 40.59 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.721 -0.752 . . . . 50.240000000000002 112.528 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.739 ' HB2' ' CD2' ' F' ' 4' ' ' PHE . . . -89.77 114.11 25.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.751 0.31 . . . . 54.219999999999999 111.098 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.562 HG22 ' HE1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -129.76 130.28 66.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 70.040000000000006 111.142 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.3 mt -134.75 122.85 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 73.420000000000002 111.125 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.98 -59.07 7.82 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 43.43 112.484 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.809 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -160.33 152.93 20.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.347 . . . . 51.130000000000003 110.867 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.411 ' CE ' HG13 ' A' ' 40' ' ' VAL . 2.7 mtp -134.09 127.92 33.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 65.120000000000005 110.888 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.725 HG11 HG11 ' F' ' 36' ' ' VAL . 38.2 t -121.6 114.7 44.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 71.200000000000003 111.106 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.28 36.23 74.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.789 -0.72 . . . . 74.129999999999995 112.473 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.4 -167.25 13.93 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 52.140000000000001 112.451 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.921 HG13 HG23 ' B' ' 39' ' ' VAL . 14.0 p -161.69 149.09 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 73.400000000000006 111.086 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.507 HG12 HG22 ' B' ' 40' ' ' VAL . 33.3 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 74.120000000000005 111.103 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.781 0.324 . . . . 70.049999999999997 110.851 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . 0.445 ' HA ' ' HB3' ' C' ' 2' ' ' ALA . . . -115.95 77.32 1.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 71.200000000000003 111.111 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.8 -30.53 9.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.409999999999997 110.932 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.667 ' CD2' ' HB2' ' G' ' 30' ' ' ALA . 1.4 t80 -163.16 115.67 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 72.5 110.905 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -126.07 110.86 14.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 74.049999999999997 110.844 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -107.94 109.86 21.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 71.099999999999994 110.891 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -116.3 101.11 8.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 73.010000000000005 110.876 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 16.7 p -151.6 175.09 12.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 64.230000000000004 110.859 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.42 -28.91 54.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 62.25 112.508 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.59 ' HD1' HG23 ' B' ' 12' ' ' VAL . 27.8 p90 -174.25 147.56 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 74.439999999999998 110.94 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -104.47 119.98 40.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 63.030000000000001 110.893 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.59 HG23 ' HD1' ' B' ' 10' ' ' TYR . 88.4 t -133.85 113.39 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 64.299999999999997 111.175 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -129.48 123.83 32.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 75.219999999999999 110.825 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -129.07 129.71 45.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 74.030000000000001 110.882 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.01 135.45 49.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 65.400000000000006 110.908 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -125.15 129.65 50.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 75.510000000000005 110.937 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.453 HD13 HD21 ' C' ' 17' ' ' LEU . 8.0 mt -132.4 107.34 8.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 64.120000000000005 110.9 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.732 ' CG2' HG12 ' A' ' 18' ' ' VAL . 29.3 m -116.83 119.81 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 54.240000000000002 111.149 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.415 ' HD2' HD12 ' C' ' 34' ' ' LEU . 2.0 m-85 -112.47 141.58 46.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 74.319999999999993 110.876 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.571 ' HE1' HG22 ' B' ' 31' ' ' ILE . 17.8 m-85 60.64 28.14 17.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 74.310000000000002 110.884 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.06 135.87 33.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 42.420000000000002 111.094 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 60.98 72.98 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 71.219999999999999 110.82 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 p -140.57 144.61 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 73.200000000000003 111.108 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.17 -57.77 6.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 71.340000000000003 112.505 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 36.4 m -160.39 141.23 11.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 71.099999999999994 110.855 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -108.95 107.53 17.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 72.219999999999999 110.89 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -114.37 163.49 15.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 42.119999999999997 110.868 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.24 -139.84 43.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 43.030000000000001 112.488 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.622 ' HB2' ' CD2' ' G' ' 4' ' ' PHE . . . -90.07 114.41 26.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.745 0.307 . . . . 62.130000000000003 111.131 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.571 HG22 ' HE1' ' B' ' 20' ' ' PHE . 0.3 OUTLIER -128.62 128.41 67.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 72.140000000000001 111.146 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 12.5 mt -131.67 122.78 50.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 71.150000000000006 111.114 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.17 -58.31 9.91 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 74.319999999999993 112.451 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.831 ' O ' HD22 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -156.92 153.92 28.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 75.200000000000003 110.883 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.5 mtp -132.97 123.12 25.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 74.209999999999994 110.847 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.881 HG11 HG11 ' G' ' 36' ' ' VAL . 26.2 t -121.57 112.22 34.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 63.149999999999999 111.142 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 54.08 37.51 58.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 61.210000000000001 112.482 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.63 -167.52 14.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 72.209999999999994 112.513 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.922 HG13 HG23 ' C' ' 39' ' ' VAL . 12.4 p -160.55 148.42 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.338 . . . . 74.5 111.158 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.507 HG22 HG12 ' A' ' 40' ' ' VAL . 34.7 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 72.329999999999998 111.142 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.845 0.355 . . . . 70.239999999999995 110.838 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 2' ' ' ALA . . . . . 0.445 ' HB3' ' HA ' ' B' ' 2' ' ' ALA . . . -116.37 75.69 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 62.439999999999998 111.089 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.28 -30.52 18.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 64.329999999999998 110.898 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . 0.61 ' CD2' ' HB2' ' H' ' 30' ' ' ALA . 1.4 t80 -163.64 116.24 1.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 75.140000000000001 110.9 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -125.96 111.7 15.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 72.430000000000007 110.866 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -108.2 109.27 20.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 74.200000000000003 110.862 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -115.46 100.7 8.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 75.140000000000001 110.851 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 16.6 p -152.71 174.79 13.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 74.25 110.88 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.37 -28.15 53.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 72.150000000000006 112.532 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . 0.592 ' HD1' HG23 ' C' ' 12' ' ' VAL . 25.7 p90 -174.71 147.77 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.871 0.367 . . . . 75.25 110.855 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -103.35 120.84 41.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 75.310000000000002 110.879 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.592 HG23 ' HD1' ' C' ' 10' ' ' TYR . 92.4 t -133.35 113.63 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 72.439999999999998 111.102 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -130.43 124.04 31.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 61.350000000000001 110.874 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -128.61 131.81 48.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 72.319999999999993 110.834 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.98 136.76 50.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 75.540000000000006 110.887 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -124.16 128.73 49.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 72.329999999999998 110.918 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.586 HD13 HD21 ' D' ' 17' ' ' LEU . 8.2 mt -135.69 106.26 6.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 71.099999999999994 110.943 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.705 ' CG2' HG12 ' B' ' 18' ' ' VAL . 26.2 m -117.69 120.77 65.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 72.140000000000001 111.159 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.402 ' CD1' ' N ' ' C' ' 19' ' ' PHE . 1.3 m-85 -112.74 141.1 46.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.319999999999993 110.865 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.534 ' HE1' HG22 ' C' ' 31' ' ' ILE . 17.6 m-85 59.44 27.91 17.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 73.200000000000003 110.855 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.94 138.19 31.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 64.030000000000001 111.16 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 57.47 72.84 0.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 60.43 110.869 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 p -139.42 143.86 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 74.239999999999995 111.136 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.0 -57.98 6.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.731 . . . . 75.439999999999998 112.499 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 35.6 m -160.47 140.03 10.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 74.450000000000003 110.855 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -108.2 108.16 19.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 73.5 110.882 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -114.5 163.93 14.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 64.150000000000006 110.945 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.62 -140.98 42.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 52.350000000000001 112.497 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.522 ' HB2' ' CD2' ' H' ' 4' ' ' PHE . . . -90.27 114.18 26.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.757 0.313 . . . . 71.409999999999997 111.126 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.534 HG22 ' HE1' ' C' ' 20' ' ' PHE . 0.3 OUTLIER -128.13 128.73 69.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 75.530000000000001 111.144 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.9 mt -130.53 122.09 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 74.030000000000001 111.134 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.75 -58.88 8.6 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.735 -0.745 . . . . 70.230000000000004 112.468 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.85 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -155.78 151.13 26.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 74.129999999999995 110.917 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -130.02 122.53 28.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 73.200000000000003 110.858 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.95 HG11 HG11 ' H' ' 36' ' ' VAL . 33.6 t -122.66 111.42 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 74.209999999999994 111.114 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.91 38.37 46.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 52.310000000000002 112.479 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.59 -167.01 14.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 61.310000000000002 112.5 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.922 HG23 HG13 ' B' ' 39' ' ' VAL . 11.9 p -159.37 147.72 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.804 0.335 . . . . 74.310000000000002 111.186 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.491 HG22 HG12 ' B' ' 40' ' ' VAL . 35.1 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 71.129999999999995 111.112 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.787 0.327 . . . . 72.430000000000007 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.31 76.26 1.01 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 32.340000000000003 111.119 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.94 -29.98 22.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 72.150000000000006 110.87 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 4' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' I' ' 30' ' ' ALA . 1.4 t80 -163.01 115.68 1.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 74.140000000000001 110.876 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -126.34 111.11 14.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 75.530000000000001 110.913 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -107.74 108.85 20.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 65.230000000000004 110.867 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -113.38 100.79 8.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 74.5 110.859 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 16.6 p -153.3 173.91 14.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 73.430000000000007 110.884 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.68 -27.82 49.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 45.009999999999998 112.51 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . 0.588 ' HD1' HG23 ' D' ' 12' ' ' VAL . 26.4 p90 -173.69 148.32 1.48 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.839 0.352 . . . . 72.430000000000007 110.961 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -103.98 121.79 43.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 74.549999999999997 110.917 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . 0.588 HG23 ' HD1' ' D' ' 10' ' ' TYR . 94.7 t -133.22 113.8 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 73.409999999999997 111.158 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -130.97 122.65 27.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 75.5 110.85 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -127.32 131.96 50.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 72.120000000000005 110.847 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.46 138.27 52.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 73.310000000000002 110.938 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -123.63 127.65 48.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 75.549999999999997 110.882 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.658 HD13 HD21 ' E' ' 17' ' ' LEU . 7.2 mt -139.23 106.85 5.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.040000000000006 110.901 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.675 ' CG2' HG12 ' C' ' 18' ' ' VAL . 19.5 m -117.94 121.59 67.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 75.439999999999998 111.158 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' D' ' 19' ' ' PHE . 1.1 m-85 -111.93 139.27 47.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 63.310000000000002 110.879 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.43 ' HE1' HG22 ' D' ' 31' ' ' ILE . 15.2 m-85 58.54 27.46 15.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 72.310000000000002 110.899 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.71 139.92 30.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.497 . . . . 64.109999999999999 111.104 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 55.7 73.64 0.42 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 61.130000000000003 110.818 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 p -140.18 143.36 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 42.020000000000003 111.115 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.94 -57.85 6.72 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.698 -0.763 . . . . 43.549999999999997 112.486 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 36.2 m -160.28 139.63 10.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.357 . . . . 73.400000000000006 110.877 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -107.75 107.7 18.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 74.049999999999997 110.868 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -114.85 164.48 14.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 74.239999999999995 110.886 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.93 -141.69 42.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 44.409999999999997 112.461 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.471 ' HB2' ' CD2' ' I' ' 4' ' ' PHE . . . -91.25 114.18 26.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.728 0.299 . . . . 61.509999999999998 111.114 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.453 HG23 ' HB ' ' C' ' 31' ' ' ILE . 0.4 OUTLIER -129.05 129.31 67.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 65.239999999999995 111.139 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 mt -129.36 122.65 56.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 62.119999999999997 111.121 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.82 -61.11 6.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.721 -0.752 . . . . 73.239999999999995 112.512 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.857 ' O ' HD22 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -153.58 148.93 27.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 73.530000000000001 110.922 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -129.39 122.25 29.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 63.219999999999999 110.92 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.97 HG11 HG11 ' I' ' 36' ' ' VAL . 32.6 t -125.1 110.81 25.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.431 . . . . 74.209999999999994 111.104 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.65 37.98 51.75 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.704 -0.76 . . . . 73.530000000000001 112.454 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.47 -165.95 14.25 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 65.430000000000007 112.463 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.914 HG23 HG13 ' C' ' 39' ' ' VAL . 11.5 p -158.98 148.17 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 73.25 111.161 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.454 HG22 HG12 ' C' ' 40' ' ' VAL . 35.1 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 63.109999999999999 111.139 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.808 0.337 . . . . 73.019999999999996 110.889 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.15 76.36 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 53.25 111.087 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.72 -30.27 21.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 72.140000000000001 110.9 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 4' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' J' ' 30' ' ' ALA . 1.4 t80 -162.99 116.65 1.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 74.519999999999996 110.89 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -125.97 110.73 13.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 71.530000000000001 110.894 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -107.09 108.98 20.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 52.399999999999999 110.889 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -111.06 100.62 9.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 63.219999999999999 110.872 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 16.7 p -155.88 169.1 25.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 62.229999999999997 110.811 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.51 -27.98 56.25 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.696 -0.764 . . . . 74.549999999999997 112.513 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . 0.576 ' HD1' HG23 ' E' ' 12' ' ' VAL . 29.3 p90 -172.37 146.79 1.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.864 0.364 . . . . 73.129999999999995 110.908 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -104.31 122.38 45.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 35.399999999999999 110.883 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 12' ' ' VAL . . . . . 0.576 HG23 ' HD1' ' E' ' 10' ' ' TYR . 94.2 t -130.87 113.94 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 75.329999999999998 111.13 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -130.18 121.58 26.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 74.310000000000002 110.825 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -127.67 130.76 49.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 73.25 110.897 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.79 140.47 52.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 73.239999999999995 110.949 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -123.62 124.4 42.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 73.420000000000002 110.86 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.658 HD21 HD13 ' D' ' 17' ' ' LEU . 6.9 mt -141.19 105.22 4.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 65.409999999999997 110.905 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.635 ' CG2' HG12 ' D' ' 18' ' ' VAL . 15.6 m -113.92 125.31 71.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 62.409999999999997 111.139 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' E' ' 19' ' ' PHE . 1.0 OUTLIER -112.0 140.38 46.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 74.209999999999994 110.894 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 53.12 27.62 6.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 74.299999999999997 110.853 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.87 140.82 29.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 71.150000000000006 111.069 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 55.23 75.42 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 71.430000000000007 110.875 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 p -141.28 142.7 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 42.119999999999997 111.114 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.18 -57.54 6.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 70.239999999999995 112.481 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 35.8 m -159.45 138.97 11.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 62.140000000000001 110.839 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -107.02 105.12 14.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 73.540000000000006 110.897 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -115.01 163.3 15.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 53.549999999999997 110.875 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.63 -142.11 45.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.691 -0.766 . . . . 72.420000000000002 112.51 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.43 ' HB2' ' CD2' ' J' ' 4' ' ' PHE . . . -91.57 114.39 26.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.775 0.321 . . . . 65.5 111.084 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -128.07 130.39 69.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 74.209999999999994 111.115 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 12.5 mt -128.6 120.45 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.099999999999994 111.147 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . 0.511 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -51.75 -58.41 10.37 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 53.310000000000002 112.464 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.798 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -153.64 151.58 29.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.8 0.333 . . . . 72.109999999999999 110.897 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.2 mtp -132.22 120.47 22.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 73.430000000000007 110.932 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.793 HG11 HG11 ' J' ' 36' ' ' VAL . 28.5 t -128.64 109.94 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 74.530000000000001 111.111 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.15 38.14 39.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 64.219999999999999 112.503 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.97 -165.04 13.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 54.420000000000002 112.465 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.826 HG23 HG13 ' D' ' 39' ' ' VAL . 10.8 p -158.33 147.86 8.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 73.120000000000005 111.128 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.424 HG22 ' HA ' ' D' ' 40' ' ' VAL . 35.3 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 71.120000000000005 111.155 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.843 0.354 . . . . 75.140000000000001 110.835 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.42 75.6 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 44.340000000000003 111.108 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.87 -30.89 25.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.400000000000006 110.898 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 4' ' ' PHE . . . . . 0.739 ' CD2' ' HB2' ' A' ' 30' ' ' ALA . 1.4 t80 -163.88 115.39 1.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 73.099999999999994 110.924 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 -126.77 109.91 12.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 74.219999999999999 110.861 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -108.6 108.23 19.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 74.040000000000006 110.842 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -114.8 102.03 9.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 73.129999999999995 110.877 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 17.2 p -150.21 175.24 11.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 73.439999999999998 110.888 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.96 -28.16 54.92 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.74 -0.743 . . . . 74.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . 0.453 ' HD1' HG23 ' F' ' 12' ' ' VAL . 29.6 p90 -174.0 148.74 1.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 64.239999999999995 110.924 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -107.67 119.2 38.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 61.340000000000003 110.833 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.453 HG23 ' HD1' ' F' ' 10' ' ' TYR . 98.1 t -134.56 113.95 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 62.450000000000003 111.145 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -128.87 121.85 29.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 63.409999999999997 110.871 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -129.03 125.92 38.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 73.209999999999994 110.847 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.15 135.82 51.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 72.310000000000002 110.84 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . 0.414 ' HD3' HG13 ' F' ' 18' ' ' VAL . 4.5 tttp -127.52 128.15 45.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 73.109999999999999 110.907 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.41 HD13 HD21 ' G' ' 17' ' ' LEU . 7.8 mt -125.8 108.12 11.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 53.43 110.94 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.725 HG12 ' CG2' ' G' ' 18' ' ' VAL . 29.0 m -115.18 119.43 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 55.340000000000003 111.139 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.42 ' HD2' HD12 ' G' ' 34' ' ' LEU . 5.4 m-85 -111.78 142.96 43.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 60.130000000000003 110.853 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . 0.567 ' HE1' HG22 ' F' ' 31' ' ' ILE . 16.0 m-85 60.86 30.05 19.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 72.049999999999997 110.919 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.66 136.29 33.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 64.310000000000002 111.098 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 61.11 73.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 72.430000000000007 110.893 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 6.8 p -140.91 145.53 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 73.430000000000007 111.127 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.87 -58.98 5.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 50.109999999999999 112.498 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 35.5 m -159.95 141.47 12.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.938 0.399 . . . . 74.25 110.852 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -107.46 107.14 17.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 61.399999999999999 110.87 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -114.58 163.38 15.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 71.439999999999998 110.906 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.71 -140.27 38.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 71.219999999999999 112.494 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.742 ' HB2' ' CD2' ' A' ' 4' ' ' PHE . . . -88.83 114.17 25.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 62.420000000000002 111.102 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.567 HG22 ' HE1' ' F' ' 20' ' ' PHE . 0.4 OUTLIER -129.58 131.57 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 74.129999999999995 111.132 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 17.5 mt -135.39 122.73 36.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.349999999999994 111.13 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.75 -59.36 7.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 55.240000000000002 112.479 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.808 HD22 ' O ' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -160.13 153.0 21.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.789 0.328 . . . . 73.310000000000002 110.959 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . 0.414 ' CE ' HG13 ' F' ' 40' ' ' VAL . 2.7 mtp -133.86 127.61 32.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.209999999999994 110.856 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.725 HG11 HG11 ' A' ' 36' ' ' VAL . 32.6 t -121.76 114.82 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 75.030000000000001 111.131 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.08 36.02 72.33 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 60.409999999999997 112.518 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.21 -167.29 14.01 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.793 -0.718 . . . . 14.23 112.486 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.916 HG13 HG23 ' G' ' 39' ' ' VAL . 15.0 p -161.68 149.43 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.887 0.375 . . . . 74.340000000000003 111.106 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.518 HG12 HG22 ' G' ' 40' ' ' VAL . 35.8 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 65.049999999999997 111.126 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.811 0.338 . . . . 72.109999999999999 110.857 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' G' G ' 2' ' ' ALA . . . . . 0.429 ' HA ' ' HB3' ' H' ' 2' ' ' ALA . . . -115.58 76.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 72.239999999999995 111.054 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.61 -30.76 14.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 74.230000000000004 110.904 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 4' ' ' PHE . . . . . 0.622 ' CD2' ' HB2' ' B' ' 30' ' ' ALA . 1.4 t80 -162.95 115.69 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 75.340000000000003 110.884 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 -125.52 111.35 14.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 72.310000000000002 110.857 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -108.13 109.33 20.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 73.25 110.834 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -115.58 100.99 8.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 52.210000000000001 110.93 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 17.0 p -151.61 174.94 12.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 61.520000000000003 110.901 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.44 -29.02 54.31 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 70.129999999999995 112.47 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . 0.582 ' HD1' HG23 ' G' ' 12' ' ' VAL . 27.8 p90 -174.31 147.52 1.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.832 0.349 . . . . 61.350000000000001 110.964 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -103.98 119.8 39.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 63.119999999999997 110.913 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . 0.582 HG23 ' HD1' ' G' ' 10' ' ' TYR . 88.1 t -133.76 113.41 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 63.450000000000003 111.138 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -129.57 123.79 32.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 75.340000000000003 110.872 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -128.85 129.75 45.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 64.140000000000001 110.856 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.06 135.1 49.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 61.130000000000003 110.908 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -125.05 129.03 49.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 72.310000000000002 110.899 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.457 HD13 HD21 ' H' ' 17' ' ' LEU . 7.9 mt -132.03 107.28 8.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 73.299999999999997 110.874 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.725 ' CG2' HG12 ' F' ' 18' ' ' VAL . 29.7 m -116.81 119.83 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 74.099999999999994 111.17 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -112.35 141.59 45.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 74.439999999999998 110.851 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 0.565 ' HE1' HG22 ' G' ' 31' ' ' ILE . 17.9 m-85 60.53 28.42 18.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 74.200000000000003 110.901 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.18 135.86 33.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 70.450000000000003 111.164 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 60.91 73.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 73.040000000000006 110.882 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 p -140.61 144.63 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 34.409999999999997 111.121 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.41 -58.45 5.98 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 44.32 112.516 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 35.2 m -159.31 140.38 12.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.389 . . . . 72.010000000000005 110.84 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -108.11 107.11 17.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 71.340000000000003 110.922 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -114.08 164.13 14.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 63.140000000000001 110.914 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.72 -141.37 39.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.692 -0.766 . . . . 73.530000000000001 112.499 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.667 ' HB2' ' CD2' ' B' ' 4' ' ' PHE . . . -89.16 114.09 25.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.726 0.298 . . . . 71.049999999999997 111.112 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.565 HG22 ' HE1' ' G' ' 20' ' ' PHE . 0.3 OUTLIER -127.81 129.43 69.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 74.099999999999994 111.138 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 12.9 mt -132.41 122.44 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 70.239999999999995 111.115 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.85 -58.71 8.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 54.310000000000002 112.452 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.843 ' O ' HD22 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -156.53 153.96 29.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.79 0.328 . . . . 73.510000000000005 110.88 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 2.5 mtp -132.94 123.01 25.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 73.200000000000003 110.927 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.881 HG11 HG11 ' B' ' 36' ' ' VAL . 26.1 t -121.61 112.19 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 70.340000000000003 111.119 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 54.01 37.23 57.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 62.350000000000001 112.53 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.99 -167.28 14.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 64.120000000000005 112.481 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.916 HG23 HG13 ' F' ' 39' ' ' VAL . 12.9 p -160.69 148.58 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.884 0.373 . . . . 54.420000000000002 111.155 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.518 HG22 HG12 ' F' ' 40' ' ' VAL . 34.9 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 62.450000000000003 111.166 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.88 0.371 . . . . 54.340000000000003 110.855 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' H' H ' 2' ' ' ALA . . . . . 0.429 ' HB3' ' HA ' ' G' ' 2' ' ' ALA . . . -115.5 75.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 71.230000000000004 111.084 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.33 -30.85 19.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 74.140000000000001 110.899 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 4' ' ' PHE . . . . . 0.522 ' CD2' ' HB2' ' C' ' 30' ' ' ALA . 1.4 t80 -162.92 115.85 1.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 72.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -125.64 111.4 14.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 72.129999999999995 110.83 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -107.91 108.78 20.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 75.319999999999993 110.853 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -114.69 100.51 8.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 75.409999999999997 110.901 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 16.9 p -152.63 174.55 13.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 62.140000000000001 110.827 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.44 -28.17 53.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.794 -0.717 . . . . 70.219999999999999 112.468 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . 0.578 ' HD1' HG23 ' H' ' 12' ' ' VAL . 25.7 p90 -174.69 147.74 1.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.86 0.362 . . . . 70.239999999999995 110.929 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -103.18 120.77 41.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 72.319999999999993 110.907 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 0.578 HG23 ' HD1' ' H' ' 10' ' ' TYR . 92.4 t -133.24 113.57 19.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 53.43 111.118 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -130.32 123.82 30.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 71.430000000000007 110.883 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -128.31 131.52 48.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 74.530000000000001 110.838 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.74 136.49 50.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 75.209999999999994 110.897 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -124.17 128.52 49.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 73.450000000000003 110.932 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.58 HD13 HD21 ' I' ' 17' ' ' LEU . 8.1 mt -135.73 106.32 6.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 74.010000000000005 110.923 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.701 ' CG2' HG12 ' G' ' 18' ' ' VAL . 25.9 m -117.74 120.98 66.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 75.140000000000001 111.083 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.425 ' N ' ' CD1' ' H' ' 19' ' ' PHE . 1.2 m-85 -112.8 141.11 46.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 60.200000000000003 110.88 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . 0.509 ' HE1' HG22 ' H' ' 31' ' ' ILE . 17.5 m-85 59.37 27.81 17.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 72.430000000000007 110.846 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.87 137.99 31.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 71.140000000000001 111.14 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 57.64 73.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 74.209999999999994 110.897 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 p -140.21 144.4 27.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 64.319999999999993 111.195 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.61 -58.13 6.09 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 65.420000000000002 112.514 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 35.3 m -159.82 139.82 11.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.9 0.381 . . . . 63.229999999999997 110.87 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -107.95 107.42 18.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 64.420000000000002 110.907 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -114.02 164.51 13.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 51.340000000000003 110.877 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.08 -142.14 39.3 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.748 -0.739 . . . . 44.32 112.446 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . 0.61 ' HB2' ' CD2' ' C' ' 4' ' ' PHE . . . -89.93 114.22 25.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 74.019999999999996 111.057 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.509 HG22 ' HE1' ' H' ' 20' ' ' PHE . 0.3 OUTLIER -127.92 129.43 69.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 72.430000000000007 111.14 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 12.2 mt -130.79 122.16 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 64.230000000000004 111.137 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.63 -59.07 8.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 54.0 112.499 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.855 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -155.38 150.98 27.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.744 0.307 . . . . 72.530000000000001 110.936 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -129.8 122.37 28.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 73.239999999999995 110.861 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.95 HG11 HG11 ' C' ' 36' ' ' VAL . 28.3 t -122.85 111.38 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 70.340000000000003 111.137 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.02 37.83 46.0 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.751 . . . . 73.120000000000005 112.505 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.33 -167.09 14.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 64.450000000000003 112.499 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.904 HG13 HG23 ' I' ' 39' ' ' VAL . 12.4 p -159.52 147.72 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.89 0.376 . . . . 71.299999999999997 111.157 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . 0.476 HG22 HG12 ' G' ' 40' ' ' VAL . 35.2 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 72.25 111.154 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.807 0.337 . . . . 73.329999999999998 110.871 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.11 75.57 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 62.130000000000003 111.123 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.79 -30.29 22.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 64.409999999999997 110.867 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 4' ' ' PHE . . . . . 0.471 ' CD2' ' HB2' ' D' ' 30' ' ' ALA . 1.4 t80 -163.12 115.8 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 74.450000000000003 110.866 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -126.73 111.35 14.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 73.129999999999995 110.918 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -108.0 108.56 19.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 74.010000000000005 110.849 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -112.51 100.93 9.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 60.039999999999999 110.886 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 16.7 p -153.52 173.69 15.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 64.340000000000003 110.852 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.88 -27.7 49.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.753 . . . . 65.219999999999999 112.493 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . 0.561 ' HD1' HG23 ' I' ' 12' ' ' VAL . 26.7 p90 -173.75 148.17 1.45 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.866 0.365 . . . . 75.209999999999994 110.932 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -103.94 121.93 44.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 74.319999999999993 110.885 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 12' ' ' VAL . . . . . 0.561 HG23 ' HD1' ' I' ' 10' ' ' TYR . 94.8 t -133.29 113.69 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 45.219999999999999 111.074 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -130.73 122.51 27.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 72.140000000000001 110.895 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -126.93 131.92 50.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 64.129999999999995 110.902 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.35 138.06 52.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 55.340000000000003 110.892 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -123.73 127.47 48.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 65.010000000000005 110.85 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.661 HD13 HD21 ' J' ' 17' ' ' LEU . 7.3 mt -139.28 106.91 5.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 75.200000000000003 110.881 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . 0.686 ' CG2' HG12 ' H' ' 18' ' ' VAL . 20.0 m -118.05 121.65 67.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 70.530000000000001 111.151 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . 0.433 ' N ' ' CD1' ' I' ' 19' ' ' PHE . 1.1 m-85 -111.95 139.24 47.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 64.510000000000005 110.885 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . 0.414 ' HE1' HG22 ' I' ' 31' ' ' ILE . 15.4 m-85 58.54 27.95 16.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 75.510000000000005 110.931 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.93 139.94 30.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 73.25 111.103 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 55.38 73.82 0.4 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 74.230000000000004 110.819 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 p -139.75 143.09 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 72.230000000000004 111.144 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.7 -58.47 6.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.775 -0.726 . . . . 44.310000000000002 112.504 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 36.4 m -159.5 138.6 11.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 72.340000000000003 110.833 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -107.1 106.78 17.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 63.020000000000003 110.872 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -114.32 165.25 12.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 75.540000000000006 110.852 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.57 -142.86 39.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.739 . . . . 64.329999999999998 112.473 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.574 ' HB2' ' CD2' ' D' ' 4' ' ' PHE . . . -90.91 113.94 26.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.794 0.331 . . . . 70.019999999999996 111.102 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.444 HG23 ' HB ' ' H' ' 31' ' ' ILE . 0.4 OUTLIER -128.36 130.53 69.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 64.030000000000001 111.109 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 12.2 mt -129.94 122.48 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 72.549999999999997 111.112 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.83 -61.29 6.2 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 64.239999999999995 112.507 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.854 ' O ' HD22 ' I' ' 34' ' ' LEU . 0.0 OUTLIER -153.37 148.55 26.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.34 . . . . 71.340000000000003 110.913 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -129.13 122.3 29.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 75.219999999999999 110.885 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.97 HG11 HG11 ' D' ' 36' ' ' VAL . 31.4 t -125.28 110.67 25.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 45.450000000000003 111.111 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.71 37.88 52.11 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.742 -0.742 . . . . 64.200000000000003 112.49 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.39 -166.08 14.34 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.752 -0.737 . . . . 65.219999999999999 112.455 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 0.904 HG23 HG13 ' H' ' 39' ' ' VAL . 11.9 p -159.2 148.22 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.351 . . . . 64.549999999999997 111.14 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . 0.423 ' HA ' HG22 ' J' ' 40' ' ' VAL . 35.2 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 73.040000000000006 111.122 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.796 0.331 . . . . 62.25 110.901 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.52 76.11 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 62.229999999999997 111.054 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.6 -30.52 21.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 54.119999999999997 110.863 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 4' ' ' PHE . . . . . 0.43 ' CD2' ' HB2' ' E' ' 30' ' ' ALA . 1.4 t80 -162.86 115.97 1.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 73.400000000000006 110.857 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -126.24 110.78 13.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 73.019999999999996 110.836 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -106.87 108.87 20.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 73.040000000000006 110.835 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -110.6 100.64 9.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 73.099999999999994 110.873 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 16.2 p -155.87 168.74 26.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 62.25 110.844 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.87 -28.37 56.87 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.778 -0.725 . . . . 72.420000000000002 112.475 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . 0.576 ' HD1' HG23 ' J' ' 12' ' ' VAL . 28.4 p90 -172.47 146.81 1.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.869 0.366 . . . . 71.450000000000003 110.927 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -103.72 122.38 44.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 72.299999999999997 110.874 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.576 HG23 ' HD1' ' J' ' 10' ' ' TYR . 93.1 t -131.14 113.75 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 72.400000000000006 111.149 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -130.27 121.17 25.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 72.439999999999998 110.894 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -127.14 130.55 50.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 74.329999999999998 110.833 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.62 140.37 52.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 74.409999999999997 110.91 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -123.68 124.51 42.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 71.200000000000003 110.88 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.661 HD21 HD13 ' I' ' 17' ' ' LEU . 6.9 mt -141.15 105.17 4.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.420000000000002 110.922 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.639 ' CG2' HG12 ' I' ' 18' ' ' VAL . 15.8 m -113.77 125.39 71.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 74.019999999999996 111.114 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.441 ' CD1' ' N ' ' J' ' 19' ' ' PHE . 1.0 OUTLIER -112.1 140.71 46.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 74.349999999999994 110.933 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 52.88 27.7 5.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 74.400000000000006 110.842 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.89 140.65 29.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 73.340000000000003 111.109 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 55.38 76.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 75.010000000000005 110.848 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 p -141.72 142.2 28.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 51.439999999999998 111.126 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.88 -57.38 7.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.721 -0.752 . . . . 63.210000000000001 112.481 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 36.4 m -159.34 137.59 10.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.866 0.365 . . . . 64.400000000000006 110.839 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -106.7 104.48 14.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 72.219999999999999 110.873 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -114.81 164.18 14.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 73.299999999999997 110.887 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.8 -143.84 44.8 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.72 -0.752 . . . . 54.32 112.497 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 0.553 ' HB2' ' CD2' ' E' ' 4' ' ' PHE . . . -91.33 113.83 26.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 62.439999999999998 111.108 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -127.87 131.73 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 72.420000000000002 111.139 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 13.3 mt -128.39 120.84 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 61.240000000000002 111.125 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . 0.513 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -51.72 -59.03 9.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 73.540000000000006 112.467 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.797 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -153.42 151.16 29.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 61.310000000000002 110.955 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . 0.403 ' H ' HD22 ' I' ' 34' ' ' LEU . 3.2 mtp -132.01 120.53 22.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 52.5 110.867 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.793 HG11 HG11 ' E' ' 36' ' ' VAL . 25.5 t -128.66 109.95 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 74.510000000000005 111.158 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.4 37.79 40.65 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.766 -0.73 . . . . 54.310000000000002 112.512 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.97 -165.17 13.41 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 50.149999999999999 112.443 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.856 HG23 HG13 ' I' ' 39' ' ' VAL . 10.7 p -158.13 147.82 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.926 0.393 . . . . 74.019999999999996 111.138 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.423 HG22 ' HA ' ' I' ' 40' ' ' VAL . 34.9 m . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 62.109999999999999 111.151 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.846 0.355 . . . . 62.450000000000003 110.88 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.66 91.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 72.439999999999998 111.078 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -76.33 -25.81 55.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 62.310000000000002 110.905 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.526 ' CE1' ' HB2' ' F' ' 30' ' ' ALA . 0.4 OUTLIER -162.86 115.1 1.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 72.049999999999997 110.858 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -110.2 107.83 17.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 70.420000000000002 110.896 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -106.61 109.01 20.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 45.329999999999998 110.874 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -122.2 101.14 7.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 70.439999999999998 110.872 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.0 t -148.73 175.27 11.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 51.409999999999997 110.864 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.7 -12.13 33.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 73.140000000000001 112.497 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -171.64 119.06 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.892 0.377 . . . . 74.519999999999996 110.948 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -101.4 119.92 39.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 72.319999999999993 110.876 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.9 t -124.08 114.34 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 64.310000000000002 111.112 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -118.44 113.36 21.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 55.310000000000002 110.846 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -130.24 115.75 17.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 71.049999999999997 110.907 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.45 133.35 52.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 73.239999999999995 110.942 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -128.5 115.91 18.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 74.209999999999994 110.895 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.463 HD12 ' HE1' ' A' ' 19' ' ' PHE . 3.9 mm? -115.55 111.49 20.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 54.119999999999997 110.896 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.719 HG12 ' CG2' ' B' ' 18' ' ' VAL . 27.4 m -115.75 120.08 63.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 70.040000000000006 111.145 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.463 ' HE1' HD12 ' A' ' 17' ' ' LEU . 7.7 m-85 -103.48 111.56 24.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 74.129999999999995 110.854 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 57.17 77.59 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 70.040000000000006 110.877 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.01 125.08 50.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 73.099999999999994 111.084 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.4 83.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 64.25 110.905 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.689 ' CG1' HG23 ' B' ' 24' ' ' VAL . 4.3 p -123.83 141.44 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 75.0 111.151 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.02 -56.39 25.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 15.32 112.515 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.4 m -159.93 130.61 5.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 72.450000000000003 110.859 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.432 ' OD1' HG11 ' A' ' 24' ' ' VAL . 2.1 m120 -101.61 109.95 21.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 71.349999999999994 110.875 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.45 163.25 14.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 61.399999999999999 110.922 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . 0.419 ' H ' ' HB3' ' F' ' 3' ' ' GLU . . . 61.75 -140.67 47.22 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 32.130000000000003 112.45 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.12 113.26 20.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.751 0.31 . . . . 74.109999999999999 111.06 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.416 HG23 ' ND2' ' A' ' 27' ' ' ASN . 1.8 mm -98.85 107.76 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 73.450000000000003 111.133 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.2 mt -136.78 108.8 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 72.010000000000005 111.136 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.413 ' HA3' ' HB3' ' A' ' 19' ' ' PHE . . . -46.42 -51.01 12.66 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 51.130000000000003 112.516 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.811 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -158.8 155.62 28.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.783 0.325 . . . . 64.230000000000004 110.91 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -129.76 122.85 29.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 73.530000000000001 110.893 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.6 t -130.36 114.56 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 73.140000000000001 111.159 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.93 19.65 56.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 73.319999999999993 112.441 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.39 172.46 15.03 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.736 -0.745 . . . . 43.539999999999999 112.499 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.788 HG13 HG23 ' B' ' 39' ' ' VAL . 7.8 p -142.96 144.83 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.38 . . . . 51.530000000000001 111.115 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.413 ' HA ' HG22 ' B' ' 40' ' ' VAL . 35.1 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 65.129999999999995 111.171 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.849 0.357 . . . . 72.239999999999995 110.882 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.43 92.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 65.219999999999999 111.121 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -76.86 -21.78 54.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 75.200000000000003 110.886 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.53 ' CE1' ' HB2' ' G' ' 30' ' ' ALA . 0.4 OUTLIER -162.96 114.79 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 72.450000000000003 110.893 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -111.39 107.2 16.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 73.230000000000004 110.918 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -106.55 109.29 21.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 74.219999999999999 110.837 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -120.38 100.51 7.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 74.310000000000002 110.849 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 9.1 t -147.53 175.01 11.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 74.239999999999995 110.811 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.92 -11.94 33.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 52.119999999999997 112.524 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.13 119.11 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 63.109999999999999 110.907 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -101.3 120.18 39.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 65.109999999999999 110.914 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -124.19 115.08 43.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 73.109999999999999 111.175 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -118.74 113.53 21.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 74.430000000000007 110.818 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -128.97 116.96 20.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 65.420000000000002 110.859 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.45 133.12 51.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 72.439999999999998 110.876 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -127.86 116.79 20.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 61.32 110.937 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.528 HD12 ' HE1' ' B' ' 19' ' ' PHE . 3.5 mm? -119.07 110.92 17.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 70.349999999999994 110.935 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.733 HG12 ' CG2' ' C' ' 18' ' ' VAL . 26.9 m -117.01 120.8 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 73.329999999999998 111.086 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.528 ' HE1' HD12 ' B' ' 17' ' ' LEU . 4.0 m-30 -102.31 114.52 28.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 75.129999999999995 110.835 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 56.95 76.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 74.099999999999994 110.884 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.82 124.89 49.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 52.299999999999997 111.128 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.42 83.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 62.520000000000003 110.855 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.69 ' CG1' HG23 ' C' ' 24' ' ' VAL . 3.3 p -123.82 139.1 51.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 63.43 111.091 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.12 -55.59 29.37 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.754 . . . . 52.409999999999997 112.494 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 74.1 m -159.18 129.73 5.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.898 0.38 . . . . 73.329999999999998 110.865 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.406 ' ND2' HG23 ' B' ' 31' ' ' ILE . 2.0 m120 -101.92 108.94 20.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 74.430000000000007 110.9 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -110.98 162.97 14.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 73.099999999999994 110.913 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.09 -140.65 45.59 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.74 . . . . 64.420000000000002 112.454 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.43 113.35 20.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.737 0.303 . . . . 60.32 111.097 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.406 HG23 ' ND2' ' B' ' 27' ' ' ASN . 2.0 mm -100.35 108.02 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 73.239999999999995 111.125 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 mt -134.74 110.08 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 75.340000000000003 111.156 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.405 ' HA3' ' HB3' ' B' ' 19' ' ' PHE . . . -44.42 -52.42 7.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 70.0 112.478 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.809 ' N ' HD13 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -157.74 154.44 28.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.791 0.329 . . . . 53.100000000000001 110.942 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -125.99 121.09 32.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 70.400000000000006 110.864 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 94.4 t -132.52 114.99 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 73.430000000000007 111.125 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.77 21.08 42.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 61.520000000000003 112.479 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.81 172.82 15.54 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 33.210000000000001 112.481 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.788 HG23 HG13 ' A' ' 39' ' ' VAL . 7.1 p -142.67 143.63 25.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 73.010000000000005 111.132 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.413 HG22 ' HA ' ' A' ' 40' ' ' VAL . 34.4 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 62.409999999999997 111.098 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.856 0.36 . . . . 54.409999999999997 110.857 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.57 93.04 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.462 . . . . 54.25 111.133 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -75.29 -19.67 59.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 74.329999999999998 110.868 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . 0.539 ' CE1' ' HB2' ' H' ' 30' ' ' ALA . 0.4 OUTLIER -163.26 114.65 1.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 75.129999999999995 110.836 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -112.04 107.0 15.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 74.340000000000003 110.834 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -106.23 110.01 22.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 65.510000000000005 110.847 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -120.21 100.44 7.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 75.019999999999996 110.866 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 9.2 t -147.54 174.84 11.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 72.5 110.88 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.14 -11.99 32.68 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 73.140000000000001 112.477 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.38 119.08 0.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.861 0.362 . . . . 72.040000000000006 110.941 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -101.08 120.09 39.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 75.129999999999995 110.89 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 93.8 t -124.94 114.84 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 61.43 111.132 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -119.34 113.48 20.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 63.030000000000001 110.882 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -127.58 117.73 22.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 74.420000000000002 110.865 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.29 132.75 51.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 45.409999999999997 110.905 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -126.32 115.87 20.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 70.25 110.901 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.426 HD12 ' HE1' ' C' ' 19' ' ' PHE . 3.8 mm? -119.86 111.06 17.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.426 . . . . 63.240000000000002 110.932 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.733 ' CG2' HG12 ' B' ' 18' ' ' VAL . 29.5 m -118.24 121.3 66.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 72.019999999999996 111.098 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.426 ' HE1' HD12 ' C' ' 17' ' ' LEU . 2.9 m-30 -101.91 113.94 27.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 72.319999999999993 110.871 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 11.1 m-30 56.68 75.93 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 75.439999999999998 110.924 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.93 124.43 48.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 61.109999999999999 111.094 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.87 83.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 75.329999999999998 110.928 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.69 HG23 ' CG1' ' B' ' 24' ' ' VAL . 3.2 p -122.66 138.86 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 71.109999999999999 111.091 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.04 -55.98 27.24 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.763 -0.732 . . . . 63.509999999999998 112.448 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 73.9 m -159.08 128.95 5.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 62.509999999999998 110.869 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -102.65 109.14 20.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 65.219999999999999 110.889 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -110.56 162.81 14.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 73.519999999999996 110.911 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.9 -140.61 44.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 63.399999999999999 112.509 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.45 113.63 20.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.759 0.314 . . . . 63.140000000000001 111.084 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.8 mm -101.2 107.98 22.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 63.130000000000003 111.159 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.1 mt -133.44 111.0 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 75.209999999999994 111.154 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.403 ' HA3' ' HB3' ' C' ' 19' ' ' PHE . . . -44.5 -52.84 7.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.763 -0.732 . . . . 71.430000000000007 112.49 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.81 HD13 ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -156.34 154.06 29.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.33 . . . . 72.549999999999997 110.924 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -126.6 119.59 27.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 73.450000000000003 110.853 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 93.8 t -133.31 115.33 22.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 64.329999999999998 111.123 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.19 21.65 40.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 61.329999999999998 112.471 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.08 172.87 16.06 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 64.219999999999999 112.471 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.747 HG23 HG13 ' B' ' 39' ' ' VAL . 7.3 p -142.49 143.39 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.936 0.398 . . . . 64.329999999999998 111.137 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.453 ' HA ' HG22 ' D' ' 40' ' ' VAL . 34.9 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 60.149999999999999 111.11 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.83 0.348 . . . . 74.420000000000002 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.48 91.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 72.030000000000001 111.052 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -77.93 -17.94 56.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 73.010000000000005 110.893 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 4' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' I' ' 30' ' ' ALA . 0.5 OUTLIER -162.86 114.69 1.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 61.240000000000002 110.889 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -112.6 107.18 15.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 73.319999999999993 110.85 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -106.41 110.12 22.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 71.510000000000005 110.847 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -119.19 100.36 7.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 73.430000000000007 110.87 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 8.9 t -147.82 174.58 11.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 72.310000000000002 110.882 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.23 -12.28 31.75 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.742 . . . . 74.319999999999993 112.479 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -172.26 119.93 0.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.874 0.368 . . . . 74.209999999999994 110.936 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -101.65 120.18 39.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 72.219999999999999 110.89 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 88.7 t -124.22 114.92 43.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 74.329999999999998 111.138 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -118.98 113.43 20.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 75.540000000000006 110.872 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -127.19 116.95 21.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 73.019999999999996 110.85 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.39 132.79 51.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 71.420000000000002 110.909 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . 0.431 ' O ' HD22 ' D' ' 17' ' ' LEU . 2.8 tptm -125.77 115.88 20.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 75.230000000000004 110.911 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.448 ' CB ' HD13 ' E' ' 17' ' ' LEU . 3.8 mm? -121.32 110.69 16.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 73.340000000000003 110.901 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.705 ' CG2' HG12 ' C' ' 18' ' ' VAL . 26.8 m -118.32 122.58 69.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 43.219999999999999 111.131 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.422 ' N ' ' CD1' ' D' ' 19' ' ' PHE . 2.0 m-30 -101.97 113.61 26.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 64.120000000000005 110.91 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 56.04 76.07 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 75.349999999999994 110.88 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.96 124.53 48.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 75.299999999999997 111.148 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.9 83.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 65.310000000000002 110.871 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.686 ' CG1' HG23 ' E' ' 24' ' ' VAL . 3.4 p -122.56 138.14 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 73.109999999999999 111.139 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.53 -55.26 30.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 70.030000000000001 112.527 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 73.5 m -159.79 127.16 4.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 62.350000000000001 110.864 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.434 ' OD1' HG11 ' D' ' 24' ' ' VAL . 1.9 m120 -102.61 110.31 22.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 73.319999999999993 110.882 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -111.08 162.54 14.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 74.530000000000001 110.905 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.01 -140.51 42.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 75.230000000000004 112.547 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.78 113.9 21.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.731 0.301 . . . . 71.030000000000001 111.106 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.406 HD12 ' HB3' ' D' ' 27' ' ' ASN . 1.7 mm -102.37 108.75 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 73.319999999999993 111.196 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 mt -132.68 112.99 19.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 62.130000000000003 111.129 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . 0.471 ' C ' HD13 ' D' ' 34' ' ' LEU . . . -44.92 -53.75 7.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 71.400000000000006 112.477 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.782 ' N ' HD13 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -154.89 152.95 30.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.827 0.346 . . . . 72.420000000000002 110.908 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 2.8 mtp -126.93 119.14 26.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 44.219999999999999 110.882 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 87.1 t -134.76 114.77 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 72.540000000000006 111.121 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.53 22.03 44.17 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.709 -0.758 . . . . 63.25 112.458 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.66 173.59 17.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 60.240000000000002 112.496 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.704 HG23 HG13 ' C' ' 39' ' ' VAL . 7.2 p -142.21 143.85 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.882 0.372 . . . . 60.450000000000003 111.132 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.453 HG22 ' HA ' ' C' ' 40' ' ' VAL . 34.9 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 71.340000000000003 111.162 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.846 0.355 . . . . 51.32 110.875 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.83 95.41 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 63.229999999999997 111.124 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -75.41 -20.2 59.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 71.420000000000002 110.852 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 4' ' ' PHE . . . . . 0.475 ' CD1' ' HB2' ' J' ' 30' ' ' ALA . 0.4 OUTLIER -161.47 116.77 2.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 70.540000000000006 110.886 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -110.02 107.73 17.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 74.420000000000002 110.88 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -106.0 111.96 24.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 72.420000000000002 110.882 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -118.99 100.81 7.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 70.150000000000006 110.866 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 9.1 t -148.99 173.54 13.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 72.030000000000001 110.862 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.25 -12.68 33.01 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 41.240000000000002 112.468 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.11 120.07 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 73.540000000000006 110.923 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -101.91 120.42 40.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 72.010000000000005 110.925 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 98.0 t -123.31 114.76 43.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 73.109999999999999 111.135 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -119.19 113.8 21.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 74.230000000000004 110.875 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -127.7 117.21 21.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 71.439999999999998 110.844 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.01 133.34 50.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 74.219999999999999 110.879 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . 0.444 ' O ' HD22 ' E' ' 17' ' ' LEU . 3.0 tptm -124.96 115.06 19.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 64.349999999999994 110.907 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.448 HD13 ' CB ' ' D' ' 17' ' ' LEU . 3.9 mm? -121.72 107.93 12.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 64.140000000000001 110.916 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.694 ' CG2' HG12 ' D' ' 18' ' ' VAL . 30.2 m -115.27 123.71 71.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 63.299999999999997 111.127 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' E' ' 19' ' ' PHE . 1.3 m-85 -102.12 111.06 23.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 73.329999999999998 110.878 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.436 ' CE2' HG22 ' E' ' 31' ' ' ILE . 13.0 m-30 57.99 75.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 74.329999999999998 110.86 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.5 125.12 49.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 74.239999999999995 111.066 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.94 83.42 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 75.329999999999998 110.858 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.686 HG23 ' CG1' ' D' ' 24' ' ' VAL . 3.4 p -122.48 137.34 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 52.409999999999997 111.158 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.76 -55.2 29.89 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 34.030000000000001 112.494 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 73.4 m -159.54 125.18 4.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 72.299999999999997 110.859 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.441 ' HB3' HD12 ' E' ' 31' ' ' ILE . 2.2 m120 -102.18 112.54 25.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 64.120000000000005 110.89 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -112.53 164.08 13.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 72.109999999999999 110.928 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.86 -141.19 43.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 61.439999999999998 112.503 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.85 114.02 21.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.712 0.291 . . . . 62.100000000000001 111.142 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.441 HD12 ' HB3' ' E' ' 27' ' ' ASN . 1.8 mm -101.24 108.33 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 63.310000000000002 111.133 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 mt -129.38 112.88 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 52.229999999999997 111.136 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . 0.599 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -46.04 -51.29 11.29 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 61.399999999999999 112.468 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.738 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -154.91 154.42 32.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 64.400000000000006 110.899 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.404 ' H ' HD22 ' D' ' 34' ' ' LEU . 3.2 mtp -130.96 118.43 20.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 73.140000000000001 110.859 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 94.1 t -138.43 114.96 10.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 75.530000000000001 111.129 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.78 21.93 38.61 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 70.030000000000001 112.478 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.14 173.99 17.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 74.319999999999993 112.532 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.697 HG23 HG13 ' D' ' 39' ' ' VAL . 7.1 p -142.12 143.52 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 61.100000000000001 111.125 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.416 HG22 ' HA ' ' D' ' 40' ' ' VAL . 35.7 m . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 74.329999999999998 111.136 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.811 0.339 . . . . 71.140000000000001 110.863 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.59 92.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 64.340000000000003 111.128 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 3' ' ' GLU . . . . . 0.419 ' HB3' ' H ' ' A' ' 29' ' ' GLY . 25.4 mm-40 -76.26 -23.99 54.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 74.319999999999993 110.903 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.49 115.3 4.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 75.430000000000007 110.847 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -108.35 108.96 20.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 74.439999999999998 110.878 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -106.84 108.35 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 70.530000000000001 110.874 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -118.92 106.31 12.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 75.510000000000005 110.869 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 9.2 t -145.99 174.08 11.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 71.329999999999998 110.871 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.41 -13.52 32.73 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.716 -0.754 . . . . 60.439999999999998 112.493 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.46 119.92 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.853 0.359 . . . . 74.219999999999999 110.912 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -102.84 120.0 39.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 73.040000000000006 110.9 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 94.2 t -122.86 114.1 40.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 52.229999999999997 111.121 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -118.03 113.65 21.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 71.310000000000002 110.911 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -131.18 114.3 14.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 74.430000000000007 110.795 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.96 133.69 52.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 74.230000000000004 110.887 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -129.3 115.52 17.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 63.109999999999999 110.892 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.42 HD12 ' HE1' ' F' ' 19' ' ' PHE . 3.9 mm? -114.58 111.3 21.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 74.519999999999996 110.957 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.719 HG12 ' CG2' ' G' ' 18' ' ' VAL . 26.9 m -115.78 120.57 65.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 72.329999999999998 111.116 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.42 ' HE1' HD12 ' F' ' 17' ' ' LEU . 7.8 m-85 -102.8 112.56 25.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 73.230000000000004 110.86 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 56.84 75.56 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 75.540000000000006 110.823 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.64 126.08 51.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 71.099999999999994 111.1 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.53 82.13 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 74.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.674 ' CG1' HG23 ' G' ' 24' ' ' VAL . 5.0 p -122.82 140.57 46.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 73.120000000000005 111.109 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.4 -55.81 27.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.791 -0.718 . . . . 74.439999999999998 112.455 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 75.6 m -161.73 129.43 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 72.109999999999999 110.836 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . 0.437 ' OD1' HG11 ' F' ' 24' ' ' VAL . 1.9 m120 -100.39 107.35 19.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 74.299999999999997 110.882 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.69 162.15 16.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 74.319999999999993 110.878 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.83 -140.11 43.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.751 . . . . 32.549999999999997 112.478 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.526 ' HB2' ' CE1' ' A' ' 4' ' ' PHE . . . -83.22 113.69 20.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.768 0.318 . . . . 54.100000000000001 111.099 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.428 HG23 ' ND2' ' F' ' 27' ' ' ASN . 2.3 mm -101.62 111.82 32.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 61.100000000000001 111.153 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 13.2 mt -138.71 108.68 4.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 73.430000000000007 111.144 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.27 -52.17 10.81 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 70.099999999999994 112.467 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.797 HD13 ' N ' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -160.4 156.31 25.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.762 0.315 . . . . 62.399999999999999 110.913 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.8 mtp -130.38 122.65 28.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 54.509999999999998 110.897 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 94.4 t -130.49 116.12 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 71.109999999999999 111.146 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.21 19.67 52.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 71.219999999999999 112.485 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.91 173.14 15.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.747 . . . . 74.109999999999999 112.488 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.779 HG13 HG23 ' G' ' 39' ' ' VAL . 7.8 p -142.97 145.35 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 55.140000000000001 111.144 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.414 ' HA ' HG22 ' G' ' 40' ' ' VAL . 34.9 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 75.329999999999998 111.128 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.802 0.334 . . . . 63.549999999999997 110.9 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.96 93.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 41.030000000000001 111.094 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 3' ' ' GLU . . . . . 0.428 ' HG2' ' HA ' ' H' ' 3' ' ' GLU . 28.2 mm-40 -73.94 -23.7 59.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 75.030000000000001 110.91 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.77 115.21 4.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 71.400000000000006 110.866 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -107.54 109.11 20.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 74.439999999999998 110.88 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -105.39 108.85 20.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 72.540000000000006 110.868 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -117.9 105.01 11.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 73.439999999999998 110.893 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 9.0 t -145.92 173.89 11.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 50.32 110.861 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.08 -13.2 32.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 45.229999999999997 112.488 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.6 119.28 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 75.430000000000007 110.895 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -101.47 119.62 39.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 64.140000000000001 110.921 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 90.5 t -122.7 114.32 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 73.049999999999997 111.142 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -118.24 113.84 22.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 74.109999999999999 110.878 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -130.06 115.89 17.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 73.319999999999993 110.838 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.5 132.79 51.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 71.239999999999995 110.957 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -127.64 116.27 20.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 63.219999999999999 110.93 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.518 HD12 ' HE1' ' G' ' 19' ' ' PHE . 3.4 mm? -117.67 111.52 19.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 41.530000000000001 110.927 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.728 HG12 ' CG2' ' H' ' 18' ' ' VAL . 33.8 m -117.7 121.47 67.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 70.200000000000003 111.132 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.518 ' HE1' HD12 ' G' ' 17' ' ' LEU . 4.0 m-30 -102.13 114.17 28.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 62.200000000000003 110.839 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 11.1 m-30 57.16 75.49 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 71.239999999999995 110.874 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.88 126.21 50.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 62.420000000000002 111.118 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.49 82.11 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 64.129999999999995 110.854 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.684 ' CG1' HG23 ' H' ' 24' ' ' VAL . 3.1 p -123.1 138.63 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 64.200000000000003 111.138 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.99 -54.9 33.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.748 . . . . 62.119999999999997 112.491 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 75.4 m -161.63 128.71 3.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.909 0.385 . . . . 70.340000000000003 110.845 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . 0.41 ' OD1' HG11 ' G' ' 24' ' ' VAL . 2.0 m120 -100.78 106.96 18.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 72.400000000000006 110.901 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -111.34 161.14 16.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 72.439999999999998 110.925 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.24 -140.78 42.01 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.757 -0.735 . . . . 73.439999999999998 112.517 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.53 ' HB2' ' CE1' ' B' ' 4' ' ' PHE . . . -83.28 114.02 21.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.731 0.301 . . . . 64.540000000000006 111.082 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.403 HG23 ' ND2' ' G' ' 27' ' ' ASN . 2.3 mm -102.88 112.56 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 61.439999999999998 111.105 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 11.1 mt -136.43 110.22 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 74.120000000000005 111.134 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.04 -53.35 9.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.684 -0.77 . . . . 63.520000000000003 112.48 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.811 ' N ' HD13 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -158.05 154.89 28.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.785 0.326 . . . . 70.420000000000002 110.902 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -127.5 120.95 29.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 63.549999999999997 110.894 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 92.3 t -132.41 115.6 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 71.409999999999997 111.175 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.16 20.47 43.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 73.510000000000005 112.551 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.73 172.77 15.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 63.100000000000001 112.505 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.779 HG23 HG13 ' F' ' 39' ' ' VAL . 7.2 p -142.63 144.5 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.362 . . . . 61.210000000000001 111.119 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.423 ' HA ' HG22 ' H' ' 40' ' ' VAL . 35.3 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 72.349999999999994 111.121 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.814 0.34 . . . . 73.109999999999999 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.45 94.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 73.400000000000006 111.081 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 3' ' ' GLU . . . . . 0.428 ' HA ' ' HG2' ' G' ' 3' ' ' GLU . 31.2 mm-40 -75.87 -22.99 55.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 53.439999999999998 110.839 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.28 115.71 5.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 61.530000000000001 110.928 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -107.53 109.14 20.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 70.239999999999995 110.903 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -105.0 109.13 21.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 61.340000000000003 110.867 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -117.33 103.88 10.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 65.140000000000001 110.848 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 9.0 t -145.62 173.77 11.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 62.240000000000002 110.868 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.58 -12.92 31.57 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 62.5 112.501 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.44 119.88 0.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 70.409999999999997 110.918 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -101.29 119.99 39.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 55.310000000000002 110.898 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 92.2 t -123.51 114.33 41.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 61.130000000000003 111.131 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -119.12 113.45 20.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 74.019999999999996 110.879 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -128.9 116.11 18.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 74.129999999999995 110.845 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.42 132.57 51.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 74.230000000000004 110.923 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -126.3 116.6 21.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 64.439999999999998 110.937 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.418 HD13 ' CB ' ' G' ' 17' ' ' LEU . 3.8 mm? -119.56 111.48 18.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 74.439999999999998 110.932 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.728 ' CG2' HG12 ' G' ' 18' ' ' VAL . 33.0 m -118.76 121.82 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 71.400000000000006 111.132 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.415 ' CD2' HD12 ' I' ' 34' ' ' LEU . 3.0 m-30 -101.76 113.4 26.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 75.019999999999996 110.867 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 11.3 m-30 56.56 74.85 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 70.349999999999994 110.893 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.99 125.89 49.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 70.150000000000006 111.131 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.92 82.34 0.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 44.240000000000002 110.92 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.684 HG23 ' CG1' ' G' ' 24' ' ' VAL . 3.1 p -122.67 138.56 52.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 73.200000000000003 111.15 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.2 -55.58 29.62 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.749 -0.739 . . . . 41.399999999999999 112.482 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 74.5 m -161.8 127.29 3.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.915 0.388 . . . . 54.140000000000001 110.867 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . 0.434 ' OD1' HG11 ' H' ' 24' ' ' VAL . 1.8 m120 -100.49 107.56 19.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 72.319999999999993 110.856 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -111.31 161.14 16.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 64.230000000000004 110.913 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.87 -141.41 41.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.723 -0.751 . . . . 63.32 112.539 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . 0.539 ' HB2' ' CE1' ' C' ' 4' ' ' PHE . . . -82.87 113.97 20.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.735 0.302 . . . . 54.420000000000002 111.099 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 2.4 mm -103.46 113.21 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 55.439999999999998 111.136 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 9.5 mt -135.21 110.96 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 72.400000000000006 111.107 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . 0.402 ' C ' HD13 ' H' ' 34' ' ' LEU . . . -46.25 -54.06 8.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 71.109999999999999 112.498 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.801 HD13 ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -156.34 153.89 29.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.783 0.325 . . . . 63.219999999999999 110.939 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -127.05 119.5 26.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 75.239999999999995 110.852 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 93.4 t -133.27 115.6 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 73.310000000000002 111.15 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.35 21.36 40.34 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 72.099999999999994 112.499 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.52 173.3 16.16 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 70.299999999999997 112.452 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.736 HG23 HG13 ' G' ' 39' ' ' VAL . 7.5 p -142.91 144.11 24.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.852 0.358 . . . . 73.129999999999995 111.14 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . 0.463 ' HA ' HG22 ' I' ' 40' ' ' VAL . 35.1 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 71.239999999999995 111.135 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.803 0.335 . . . . 72.299999999999997 110.867 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.39 93.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 61.409999999999997 111.134 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -77.15 -20.15 55.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 74.099999999999994 110.949 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -150.93 116.31 5.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 63.229999999999997 110.938 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -107.19 108.91 20.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 73.439999999999998 110.872 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -105.68 108.98 20.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 74.420000000000002 110.891 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -117.25 104.5 11.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 70.349999999999994 110.893 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 8.9 t -146.35 173.51 12.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 71.319999999999993 110.885 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.48 -13.36 30.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 72.299999999999997 112.499 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -172.48 119.79 0.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 75.109999999999999 110.926 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -100.58 119.98 39.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 72.409999999999997 110.869 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 90.3 t -123.44 114.21 40.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 73.540000000000006 111.142 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -119.1 113.51 21.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 74.219999999999999 110.895 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -128.88 116.12 18.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 75.219999999999999 110.831 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.74 132.75 51.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 74.439999999999998 110.949 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . 0.436 ' HD2' HG13 ' I' ' 18' ' ' VAL . 2.7 tptm -125.08 116.4 22.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.239999999999995 110.914 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.448 ' CB ' HD13 ' J' ' 17' ' ' LEU . 3.8 mm? -120.78 110.83 16.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.276 -0.42 . . . . 55.020000000000003 110.937 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . 0.702 ' CG2' HG12 ' H' ' 18' ' ' VAL . 28.8 m -118.4 122.9 70.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 72.140000000000001 111.167 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . 0.415 ' N ' ' CD1' ' I' ' 19' ' ' PHE . 2.2 m-30 -101.88 112.38 24.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 65.519999999999996 110.879 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 12.0 m-30 56.45 74.07 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 70.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.02 126.1 50.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 63.399999999999999 111.084 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.37 81.2 0.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 74.010000000000005 110.904 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.681 HG23 ' CG1' ' H' ' 24' ' ' VAL . 2.8 p -121.85 138.21 52.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 65.239999999999995 111.079 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.55 -55.65 29.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 73.239999999999995 112.457 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 74.4 m -161.82 125.47 3.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.371 . . . . 65.129999999999995 110.828 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . 0.454 ' OD1' HG11 ' I' ' 24' ' ' VAL . 1.8 m120 -100.65 107.24 18.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 72.310000000000002 110.89 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -111.87 161.54 16.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 74.140000000000001 110.883 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.41 -140.83 37.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.796 -0.716 . . . . 63.240000000000002 112.49 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.573 ' HB2' ' CE1' ' D' ' 4' ' ' PHE . . . -83.08 113.68 20.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.747 0.308 . . . . 61.450000000000003 111.126 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 2.3 mm -104.89 113.22 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 74.329999999999998 111.128 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 8.2 mt -133.99 112.3 16.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 62.399999999999999 111.105 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . 0.485 ' C ' HD13 ' I' ' 34' ' ' LEU . . . -46.39 -55.16 8.05 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 51.439999999999998 112.489 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.782 ' N ' HD13 ' I' ' 34' ' ' LEU . 0.0 OUTLIER -155.36 152.97 29.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 63.539999999999999 110.936 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.8 mtp -127.44 118.91 24.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 53.310000000000002 110.917 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 88.2 t -134.24 114.74 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 73.340000000000003 111.147 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.25 22.27 43.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 70.019999999999996 112.524 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.24 173.84 16.89 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.741 . . . . 44.240000000000002 112.455 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 0.705 HG23 HG13 ' H' ' 39' ' ' VAL . 7.4 p -142.51 143.89 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 72.120000000000005 111.125 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . 0.463 HG22 ' HA ' ' H' ' 40' ' ' VAL . 34.7 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 65.230000000000004 111.165 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.834 0.349 . . . . 74.319999999999993 110.877 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.44 94.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 70.129999999999995 111.125 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -73.34 -21.36 60.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 73.25 110.848 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.97 116.68 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 71.340000000000003 110.867 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -107.23 108.93 20.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 73.129999999999995 110.903 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -104.78 110.2 22.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 74.209999999999994 110.898 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -117.17 103.3 10.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 53.439999999999998 110.873 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 8.8 t -146.39 172.4 13.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 75.120000000000005 110.901 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.06 -13.4 33.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 54.509999999999998 112.494 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.35 119.8 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.795 0.331 . . . . 54.549999999999997 110.972 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -99.8 120.01 39.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 63.009999999999998 110.887 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 97.4 t -123.96 114.49 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.230000000000004 111.059 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -119.31 114.33 22.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 73.129999999999995 110.851 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -128.31 115.65 18.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 52.25 110.813 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.22 133.26 50.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 63.340000000000003 110.862 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . 0.432 ' O ' HD22 ' J' ' 17' ' ' LEU . 3.0 tptm -125.34 115.75 20.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 72.420000000000002 110.873 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.448 HD13 ' CB ' ' I' ' 17' ' ' LEU . 3.9 mm? -121.59 107.8 12.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 63.200000000000003 110.942 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.691 ' CG2' HG12 ' I' ' 18' ' ' VAL . 28.8 m -115.12 123.96 71.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 52.009999999999998 111.161 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.432 ' CD1' ' N ' ' J' ' 19' ' ' PHE . 1.3 m-85 -102.21 110.33 22.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 72.349999999999994 110.909 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . 0.439 ' CE2' HG22 ' J' ' 31' ' ' ILE . 13.2 m-30 57.59 74.55 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 65.430000000000007 110.89 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.85 125.89 50.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 73.239999999999995 111.106 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.01 81.8 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 62.420000000000002 110.862 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.679 HG23 ' CG1' ' I' ' 24' ' ' VAL . 3.0 p -121.09 138.08 52.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 75.319999999999993 111.101 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.62 -56.06 27.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.795 -0.717 . . . . 71.099999999999994 112.44 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 74.8 m -162.0 121.63 2.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.896 0.379 . . . . 53.219999999999999 110.883 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . 0.482 ' OD1' HG11 ' J' ' 24' ' ' VAL . 2.2 m120 -100.98 108.42 20.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 74.230000000000004 110.926 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -112.37 163.88 13.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 74.540000000000006 110.921 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.72 -141.32 38.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 55.240000000000002 112.544 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 0.475 ' HB2' ' CD1' ' E' ' 4' ' ' PHE . . . -83.24 113.83 20.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 63.240000000000002 111.081 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.439 HG22 ' CE2' ' J' ' 20' ' ' PHE . 2.1 mm -104.53 113.76 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 64.200000000000003 111.136 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 6.9 mt -130.71 111.61 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 70.25 111.124 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . 0.577 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -47.35 -53.14 12.37 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 62.109999999999999 112.448 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.746 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -154.8 153.62 31.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.779 0.323 . . . . 63.200000000000003 110.927 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . 0.404 ' H ' HD22 ' I' ' 34' ' ' LEU . 3.1 mtp -131.24 118.25 20.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 73.340000000000003 110.88 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 84.1 t -138.25 114.73 10.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 73.439999999999998 111.104 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.33 21.72 41.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.807 -0.711 . . . . 55.420000000000002 112.444 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.97 174.18 18.13 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 74.0 112.514 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.634 HG23 HG13 ' I' ' 39' ' ' VAL . 7.1 p -141.61 142.93 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 75.230000000000004 111.14 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.455 HG22 ' HA ' ' I' ' 40' ' ' VAL . 35.7 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 70.040000000000006 111.157 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.822 0.344 . . . . 50.520000000000003 110.875 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.62 98.34 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 63.43 111.107 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.8 mp0 -52.29 -29.69 24.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 71.450000000000003 110.903 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' F' ' 30' ' ' ALA . 2.1 m-85 -150.58 112.66 4.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 72.299999999999997 110.939 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.9 108.41 6.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 74.450000000000003 110.897 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -114.69 129.22 56.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 64.319999999999993 110.846 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -133.42 101.7 5.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 62.539999999999999 110.841 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 90.3 p -152.87 128.34 9.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 73.450000000000003 110.8 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.03 -27.47 10.48 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.69 -0.766 . . . . 64.120000000000005 112.524 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.47 114.91 5.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.872 0.368 . . . . 71.200000000000003 110.881 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -114.25 119.67 37.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 64.040000000000006 110.835 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.7 t -136.16 119.54 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 52.329999999999998 111.103 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -121.54 112.38 18.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 65.510000000000005 110.858 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -119.19 123.94 45.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 74.329999999999998 110.871 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -126.17 135.92 52.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 64.450000000000003 110.925 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -132.32 121.83 24.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 74.329999999999998 110.921 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.735 HD21 ' O ' ' F' ' 37' ' ' GLY . 4.2 mm? -113.52 107.01 15.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 74.209999999999994 110.882 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 21' ' ' ALA . 18.6 t -105.81 109.54 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 74.200000000000003 111.127 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.451 ' HE1' HD12 ' A' ' 17' ' ' LEU . 11.7 m-30 -102.26 111.45 23.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 74.310000000000002 110.912 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 54.29 90.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 75.450000000000003 110.924 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.468 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . . . -118.46 147.77 43.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 51.109999999999999 111.097 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 53.11 82.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 73.439999999999998 110.867 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.624 HG11 ' OD1' ' A' ' 27' ' ' ASN . 6.8 p -132.14 128.3 58.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 62.420000000000002 111.12 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.33 -47.0 63.12 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 51.009999999999998 112.467 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.2 m -164.29 135.79 4.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 72.030000000000001 110.846 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.624 ' OD1' HG11 ' A' ' 24' ' ' VAL . 13.6 m120 -107.18 103.31 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 51.329999999999998 110.886 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 tptp -114.06 154.26 28.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 62.409999999999997 110.92 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.82 -139.79 26.85 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.743 . . . . 60.329999999999998 112.521 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.567 ' HB2' ' CE2' ' F' ' 4' ' ' PHE . . . -87.77 114.16 24.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.768 0.318 . . . . 74.409999999999997 111.122 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.455 HD13 ' C ' ' A' ' 30' ' ' ALA . 0.6 OUTLIER -112.83 109.01 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 72.510000000000005 111.132 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.0 mt -131.77 108.9 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 61.340000000000003 111.124 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.31 -49.23 20.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 71.409999999999997 112.504 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.823 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -158.36 153.72 25.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.323 . . . . 71.129999999999995 110.91 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.01 121.93 34.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 52.119999999999997 110.867 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.41 HG11 HG21 ' F' ' 36' ' ' VAL . 89.9 t -125.45 112.04 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 71.019999999999996 111.144 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . 0.713 ' O ' HD21 ' F' ' 17' ' ' LEU . . . 61.92 15.51 49.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 61.140000000000001 112.453 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.01 154.43 23.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 74.409999999999997 112.48 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.633 ' H ' HG12 ' B' ' 39' ' ' VAL . 15.8 m -128.57 -176.49 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 52.119999999999997 111.124 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 73.510000000000005 111.15 179.888 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.814 0.34 . . . . 75.129999999999995 110.921 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.25 98.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 73.409999999999997 111.056 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 39.9 mp0 -53.06 -28.25 23.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 72.409999999999997 110.862 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.583 ' CE2' ' HB2' ' G' ' 30' ' ' ALA . 2.3 m-85 -151.72 112.16 4.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 74.319999999999993 110.86 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.4 108.55 8.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 71.25 110.885 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -115.01 129.05 56.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 63.310000000000002 110.877 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -133.8 102.31 5.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 71.099999999999994 110.884 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' C' ' 8' ' ' SER . 88.8 p -154.49 127.67 8.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 75.299999999999997 110.847 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.85 -26.3 10.83 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 32.539999999999999 112.491 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.31 112.83 5.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.826 0.346 . . . . 75.129999999999995 110.961 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -111.31 119.95 40.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 71.230000000000004 110.859 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 31.3 t -134.36 121.42 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 62.020000000000003 111.141 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -121.46 112.54 18.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 74.219999999999999 110.838 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -116.04 123.79 48.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 74.299999999999997 110.861 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -125.2 132.07 53.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 72.540000000000006 110.874 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -128.97 122.28 29.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 62.329999999999998 110.895 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.758 ' HB2' HD13 ' C' ' 17' ' ' LEU . 4.3 mm? -116.75 102.12 9.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 65.219999999999999 110.933 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' B' ' 21' ' ' ALA . 18.2 t -102.66 108.86 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 73.040000000000006 111.135 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.587 ' HE1' HD12 ' B' ' 17' ' ' LEU . 9.8 m-30 -102.79 108.85 20.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 73.409999999999997 110.849 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.424 ' CD2' HG22 ' B' ' 31' ' ' ILE . 8.5 m-30 56.01 90.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 63.130000000000003 110.889 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.481 ' HB2' ' CG1' ' B' ' 18' ' ' VAL . . . -117.72 148.15 42.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 70.530000000000001 111.093 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 53.06 82.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 71.25 110.882 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.613 HG11 ' OD1' ' B' ' 27' ' ' ASN . 6.3 p -133.41 127.4 53.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 75.530000000000001 111.119 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.9 -45.05 87.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 32.229999999999997 112.511 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 34.2 m -164.07 135.54 4.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 65.400000000000006 110.867 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.613 ' OD1' HG11 ' B' ' 24' ' ' VAL . 11.6 m120 -107.57 103.55 12.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 62.039999999999999 110.899 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -114.08 155.66 25.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 63.32 110.921 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.38 -139.03 26.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 64.450000000000003 112.498 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.576 ' HB2' ' CE2' ' G' ' 4' ' ' PHE . . . -88.55 114.04 24.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.76 0.314 . . . . 52.340000000000003 111.109 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.424 HG22 ' CD2' ' B' ' 20' ' ' PHE . 0.7 OUTLIER -111.3 108.21 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 72.409999999999997 111.147 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 mt -131.14 109.42 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 71.420000000000002 111.157 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.58 -49.85 20.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 55.049999999999997 112.513 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.826 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -156.2 151.87 27.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 61.520000000000003 110.902 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -124.07 119.84 30.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 74.319999999999993 110.906 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.439 HG21 HG11 ' G' ' 36' ' ' VAL . 86.3 t -127.55 112.12 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 52.450000000000003 111.143 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . 0.635 ' O ' HD21 ' G' ' 17' ' ' LEU . . . 59.53 17.86 42.17 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 62.32 112.524 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.35 154.68 22.54 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.798 -0.715 . . . . 70.129999999999995 112.523 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.633 HG12 ' H ' ' A' ' 39' ' ' VAL . 11.4 m -126.83 -176.45 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.886 0.374 . . . . 74.200000000000003 111.105 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 74.120000000000005 111.161 179.892 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.853 0.359 . . . . 72.409999999999997 110.901 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.32 98.67 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.140000000000001 111.088 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 37.8 mp0 -52.41 -28.32 19.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 73.409999999999997 110.922 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . 0.588 ' CE2' ' HB2' ' H' ' 30' ' ' ALA . 2.4 m-85 -151.54 112.21 4.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 63.130000000000003 110.868 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.94 108.35 8.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 75.140000000000001 110.833 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -116.04 127.36 54.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 75.200000000000003 110.892 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -131.81 102.27 5.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 53.119999999999997 110.887 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' B' ' 8' ' ' SER . 89.3 p -154.3 127.28 8.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 73.450000000000003 110.879 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.12 -25.99 11.66 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.735 -0.745 . . . . 72.420000000000002 112.489 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.37 112.9 5.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.856 0.36 . . . . 75.129999999999995 110.928 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -109.9 119.7 40.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 73.450000000000003 110.873 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 33.2 t -133.46 121.31 41.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 71.230000000000004 111.103 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -121.62 112.76 18.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 75.120000000000005 110.836 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -115.6 123.03 47.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 72.25 110.84 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -124.13 131.54 53.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 72.540000000000006 110.936 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -127.79 123.21 34.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 71.219999999999999 110.861 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.762 ' HB2' HD13 ' D' ' 17' ' ' LEU . 4.3 mm? -119.79 100.81 7.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 65.530000000000001 110.927 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.484 ' CG1' ' HB2' ' C' ' 21' ' ' ALA . 17.6 t -101.78 109.31 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 74.109999999999999 111.139 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.569 ' HE1' HD12 ' C' ' 17' ' ' LEU . 8.4 m-30 -102.77 106.77 17.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 60.140000000000001 110.886 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.435 ' CD2' HG22 ' C' ' 31' ' ' ILE . 8.7 m-30 56.81 90.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 74.439999999999998 110.855 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 0.484 ' HB2' ' CG1' ' C' ' 18' ' ' VAL . . . -118.31 148.04 42.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 73.209999999999994 111.051 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 52.8 82.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 74.420000000000002 110.835 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.605 HG11 ' OD1' ' C' ' 27' ' ' ASN . 6.2 p -133.39 126.33 52.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 73.209999999999994 111.101 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.19 -44.79 84.03 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.741 . . . . 73.420000000000002 112.469 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 33.8 m -164.05 135.84 4.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 71.209999999999994 110.866 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.605 ' OD1' HG11 ' C' ' 24' ' ' VAL . 11.5 m120 -107.51 103.85 13.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 74.510000000000005 110.887 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -114.51 155.76 25.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 52.219999999999999 110.904 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.43 -139.1 26.13 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 60.210000000000001 112.471 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.575 ' HB2' ' CZ ' ' H' ' 4' ' ' PHE . . . -88.34 113.8 24.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.725 0.298 . . . . 62.229999999999997 111.144 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.435 HG22 ' CD2' ' C' ' 20' ' ' PHE . 0.7 OUTLIER -110.98 107.87 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 74.400000000000006 111.157 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -130.62 109.94 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 63.450000000000003 111.087 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.49 -50.21 18.92 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 64.109999999999999 112.452 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.823 ' N ' HD13 ' C' ' 34' ' ' LEU . 0.0 OUTLIER -154.88 151.95 29.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 74.230000000000004 110.884 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -124.83 118.49 26.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 64.409999999999997 110.85 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.417 HG21 HG11 ' H' ' 36' ' ' VAL . 85.8 t -129.41 111.5 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 71.540000000000006 111.142 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . 0.632 ' O ' HD21 ' H' ' 17' ' ' LEU . . . 58.18 18.59 35.54 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 73.540000000000006 112.483 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.4 154.42 22.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 71.25 112.506 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.58 HG12 ' H ' ' B' ' 39' ' ' VAL . 10.8 m -129.87 -175.81 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 72.349999999999994 111.109 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 72.439999999999998 111.103 179.89 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.861 0.363 . . . . 62.100000000000001 110.891 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.65 98.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 62.109999999999999 111.067 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 38.9 mp0 -52.79 -28.26 21.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 62.539999999999999 110.898 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 4' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' I' ' 30' ' ' ALA . 2.5 m-85 -150.87 112.06 4.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 74.25 110.861 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.95 108.05 9.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 74.430000000000007 110.842 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -117.11 125.52 51.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 52.329999999999998 110.84 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -129.64 102.22 6.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 64.519999999999996 110.88 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' C' ' 8' ' ' SER . 90.2 p -154.61 127.38 8.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 72.140000000000001 110.867 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.99 -25.66 17.42 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.747 -0.739 . . . . 74.409999999999997 112.486 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.26 113.71 5.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.833 0.349 . . . . 73.420000000000002 110.961 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -109.37 120.04 41.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 73.420000000000002 110.863 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 31.8 t -132.79 121.43 44.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 71.329999999999998 111.109 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -122.1 112.49 18.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 74.340000000000003 110.868 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -115.2 124.39 51.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 72.129999999999995 110.861 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -125.16 131.28 53.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 75.439999999999998 110.914 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -126.3 122.25 34.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 75.540000000000006 110.878 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.762 HD13 ' HB2' ' C' ' 17' ' ' LEU . 4.2 mm? -121.49 100.72 7.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 74.209999999999994 110.937 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.511 ' CG1' ' HB2' ' D' ' 21' ' ' ALA . 21.1 t -102.23 109.7 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 71.239999999999995 111.163 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.578 ' HE1' HD12 ' D' ' 17' ' ' LEU . 7.8 m-30 -101.96 105.07 15.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 74.450000000000003 110.863 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.435 ' CD2' HG22 ' D' ' 31' ' ' ILE . 8.6 m-30 57.09 90.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 74.040000000000006 110.887 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . 0.511 ' HB2' ' CG1' ' D' ' 18' ' ' VAL . . . -118.24 147.95 42.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 43.439999999999998 111.107 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 53.17 82.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 53.030000000000001 110.865 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.592 HG11 ' OD1' ' D' ' 27' ' ' ASN . 6.2 p -133.57 126.13 51.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 52.32 111.155 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.28 -44.29 84.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.677 -0.773 . . . . 72.230000000000004 112.532 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 34.7 m -164.21 135.73 4.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.374 . . . . 70.109999999999999 110.912 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.592 ' OD1' HG11 ' D' ' 24' ' ' VAL . 11.0 m120 -107.07 103.29 12.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 72.430000000000007 110.887 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -114.26 156.47 24.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 63.140000000000001 110.861 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.13 -138.43 25.42 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.731 -0.747 . . . . 51.140000000000001 112.52 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.585 ' HB2' ' CZ ' ' I' ' 4' ' ' PHE . . . -89.13 113.96 25.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 74.219999999999999 111.092 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.435 HG22 ' CD2' ' D' ' 20' ' ' PHE . 0.7 OUTLIER -110.61 107.91 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 62.520000000000003 111.145 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 mt -130.32 110.35 18.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 72.349999999999994 111.119 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . 0.469 ' C ' HD13 ' D' ' 34' ' ' LEU . . . -47.76 -51.54 17.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 44.399999999999999 112.464 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.818 ' N ' HD13 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -152.81 150.76 29.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.759 0.314 . . . . 75.239999999999995 110.967 -179.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -124.97 117.57 24.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 74.450000000000003 110.87 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 93.3 t -132.68 111.09 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 75.219999999999999 111.181 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . 0.663 ' O ' HD21 ' I' ' 17' ' ' LEU . . . 59.67 17.36 41.34 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.722 -0.752 . . . . 64.420000000000002 112.447 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.84 156.81 23.03 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 74.329999999999998 112.488 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.575 HG12 ' H ' ' C' ' 39' ' ' VAL . 5.7 m -131.51 -176.01 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.375 . . . . 73.329999999999998 111.161 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 18.0 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 75.319999999999993 111.122 179.912 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.797 0.332 . . . . 61.140000000000001 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.51 98.47 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 70.019999999999996 111.063 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 39.3 mp0 -52.83 -28.24 21.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 73.150000000000006 110.869 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 4' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' J' ' 30' ' ' ALA . 2.5 m-85 -150.46 113.84 4.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 61.219999999999999 110.888 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.05 107.55 9.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 73.439999999999998 110.841 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -118.16 123.83 46.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 70.120000000000005 110.889 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -127.35 101.34 6.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 63.409999999999997 110.882 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 90.3 p -155.51 128.1 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 73.230000000000004 110.895 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.78 -23.45 37.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 74.409999999999997 112.485 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.87 113.24 5.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 73.219999999999999 110.884 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -109.41 120.22 41.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 70.530000000000001 110.874 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 34.5 t -132.54 122.52 47.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 75.030000000000001 111.131 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -122.32 112.82 18.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 71.340000000000003 110.856 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -113.33 127.7 56.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 63.109999999999999 110.845 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -128.56 132.68 48.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 75.140000000000001 110.923 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -127.62 120.44 28.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 74.040000000000006 110.905 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.76 HD13 ' HB2' ' D' ' 17' ' ' LEU . 4.1 mm? -122.69 100.97 7.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 75.540000000000006 110.887 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.502 ' CG1' ' HB2' ' E' ' 21' ' ' ALA . 17.2 t -100.93 111.52 30.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 44.140000000000001 111.099 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.508 ' HE1' HD12 ' E' ' 17' ' ' LEU . 8.9 m-30 -102.13 100.71 10.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 75.129999999999995 110.889 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.431 ' CD2' HG22 ' E' ' 31' ' ' ILE . 8.8 m-30 57.66 90.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 71.420000000000002 110.865 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . 0.502 ' HB2' ' CG1' ' E' ' 18' ' ' VAL . . . -118.16 149.97 40.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 51.420000000000002 111.105 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 51.57 82.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 75.549999999999997 110.892 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.596 HG11 ' OD1' ' E' ' 27' ' ' ASN . 7.0 p -132.92 124.92 51.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 75.349999999999994 111.166 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.22 -44.29 84.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 64.0 112.449 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 30.6 m -163.89 134.48 4.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 65.329999999999998 110.819 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.596 ' OD1' HG11 ' E' ' 24' ' ' VAL . 10.1 m120 -105.58 102.95 12.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.310000000000002 110.897 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -114.2 157.57 22.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 74.129999999999995 110.889 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.52 -138.49 26.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 44.240000000000002 112.473 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.592 ' HB2' ' CZ ' ' J' ' 4' ' ' PHE . . . -89.51 113.76 25.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.765 0.317 . . . . 75.209999999999994 111.104 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.431 HG22 ' CD2' ' E' ' 20' ' ' PHE . 0.8 OUTLIER -109.05 107.31 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 64.150000000000006 111.188 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 mt -127.59 109.87 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 64.030000000000001 111.119 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . 0.567 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -48.76 -49.33 28.37 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 71.109999999999999 112.519 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.774 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -153.11 151.0 29.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.841 0.353 . . . . 75.409999999999997 110.903 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -128.94 117.7 21.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 64.040000000000006 110.936 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 94.4 t -135.74 110.5 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 63.210000000000001 111.13 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . 0.673 ' O ' HD21 ' J' ' 17' ' ' LEU . . . 58.17 18.16 33.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.674 -0.774 . . . . 70.299999999999997 112.52 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.14 159.75 24.44 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.752 -0.737 . . . . 74.450000000000003 112.533 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.562 HG12 ' O ' ' D' ' 39' ' ' VAL . 12.4 m -130.46 -175.66 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 55.140000000000001 111.113 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 74.409999999999997 111.105 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.781 0.324 . . . . 75.329999999999998 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.2 97.76 0.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 70.5 111.112 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 39.7 mp0 -52.51 -29.89 27.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 72.439999999999998 110.865 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 4' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 2.3 m-85 -151.73 113.2 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 73.310000000000002 110.881 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.57 108.52 6.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 74.049999999999997 110.907 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -114.47 128.68 56.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 64.219999999999999 110.814 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -132.86 101.79 5.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 74.530000000000001 110.886 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' G' ' 8' ' ' SER . 91.0 p -152.68 128.15 9.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 34.100000000000001 110.862 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.5 -27.26 11.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 53.240000000000002 112.517 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.29 114.83 5.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.877 0.37 . . . . 53.219999999999999 110.907 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -113.66 119.65 38.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 72.450000000000003 110.921 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 31.0 t -133.73 120.7 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 71.450000000000003 111.099 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -121.2 112.62 18.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 73.109999999999999 110.87 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -121.15 122.09 39.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 72.340000000000003 110.887 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -125.85 134.54 51.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.219999999999999 110.947 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -131.62 122.38 25.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 75.299999999999997 110.898 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.761 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.2 mm? -115.17 106.3 13.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 75.140000000000001 110.905 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' F' ' 21' ' ' ALA . 19.0 t -105.26 109.89 29.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 74.409999999999997 111.103 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.448 ' HE1' HD12 ' F' ' 17' ' ' LEU . 11.7 m-30 -102.67 110.92 23.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 65.219999999999999 110.839 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 54.89 90.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 75.25 110.938 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . 0.476 ' HB2' ' CG1' ' F' ' 18' ' ' VAL . . . -118.51 147.84 43.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 75.239999999999995 111.094 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 53.12 82.45 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 71.120000000000005 110.863 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.567 HG11 ' OD1' ' F' ' 27' ' ' ASN . 7.0 p -132.57 127.69 56.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 51.109999999999999 111.141 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.93 -46.94 67.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.671 -0.776 . . . . 74.439999999999998 112.546 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 34.0 m -164.0 134.7 4.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 74.439999999999998 110.872 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . 0.567 ' OD1' HG11 ' F' ' 24' ' ' VAL . 13.2 m120 -104.82 104.01 13.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 75.430000000000007 110.842 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 tptp -113.25 155.0 25.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 70.439999999999998 110.935 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.7 -140.4 29.04 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.75 . . . . 71.239999999999995 112.458 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.56 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . . . -87.91 113.97 24.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.324 . . . . 43.200000000000003 111.067 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.428 HD13 ' C ' ' F' ' 30' ' ' ALA . 0.6 OUTLIER -110.8 109.26 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 73.420000000000002 111.137 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mt -132.31 108.58 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 74.200000000000003 111.122 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.89 -49.8 16.54 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.688 -0.767 . . . . 54.140000000000001 112.468 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.824 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -158.51 153.57 25.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.798 0.332 . . . . 72.120000000000005 110.965 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -125.74 121.27 32.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 73.319999999999993 110.839 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.41 HG21 HG11 ' A' ' 36' ' ' VAL . 87.8 t -124.53 111.74 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 70.400000000000006 111.076 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . 0.735 ' O ' HD21 ' A' ' 17' ' ' LEU . . . 61.16 15.9 46.22 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.729 -0.748 . . . . 75.5 112.48 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.87 153.45 22.21 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.79 -0.719 . . . . 21.120000000000001 112.489 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.625 ' H ' HG12 ' G' ' 39' ' ' VAL . 15.5 m -128.87 -174.58 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.836 0.35 . . . . 73.200000000000003 111.108 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 18.5 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 72.200000000000003 111.142 179.918 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.79 0.329 . . . . 73.420000000000002 110.852 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.37 97.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 73.430000000000007 111.106 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 39.5 mp0 -52.56 -30.19 29.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 64.25 110.846 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 4' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' B' ' 30' ' ' ALA . 2.6 m-85 -152.15 112.96 4.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 72.140000000000001 110.886 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.45 108.7 8.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 64.349999999999994 110.86 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -114.48 128.32 56.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 74.409999999999997 110.851 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -132.91 102.53 5.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 63.409999999999997 110.855 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' H' ' 8' ' ' SER . 89.8 p -154.68 127.37 8.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 62.539999999999999 110.861 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.76 -26.63 11.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 73.530000000000001 112.481 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.09 112.86 5.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.813 0.339 . . . . 74.040000000000006 110.959 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -110.71 119.62 39.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 75.230000000000004 110.894 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 31.6 t -133.58 121.2 40.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 74.150000000000006 111.101 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -121.43 113.17 19.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 75.010000000000005 110.868 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -116.66 123.01 46.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 72.409999999999997 110.904 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -124.64 131.87 53.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 75.329999999999998 110.942 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -129.48 122.75 29.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 75.239999999999995 110.911 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.79 ' HB2' HD13 ' H' ' 17' ' ' LEU . 4.3 mm? -117.67 101.87 8.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 72.519999999999996 110.896 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' G' ' 21' ' ' ALA . 18.0 t -102.16 108.84 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 73.010000000000005 111.144 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.584 ' HE1' HD12 ' G' ' 17' ' ' LEU . 9.7 m-30 -102.74 108.52 19.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 73.510000000000005 110.939 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 0.407 ' CD2' HG22 ' G' ' 31' ' ' ILE . 8.3 m-30 56.5 90.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 74.299999999999997 110.886 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . 0.471 ' HB2' ' CG1' ' G' ' 18' ' ' VAL . . . -118.29 148.65 42.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 53.009999999999998 111.063 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 53.01 82.81 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 75.430000000000007 110.831 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.585 HG11 ' OD1' ' G' ' 27' ' ' ASN . 6.5 p -133.61 126.85 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 71.230000000000004 111.178 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.73 -44.76 91.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 62.219999999999999 112.492 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 34.9 m -163.18 134.94 5.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.372 . . . . 75.219999999999999 110.868 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . 0.585 ' OD1' HG11 ' G' ' 24' ' ' VAL . 11.0 m120 -106.52 103.46 12.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 74.140000000000001 110.909 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 tptp -113.46 156.85 22.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 71.430000000000007 110.887 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.24 -140.05 29.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.759 . . . . 61.539999999999999 112.463 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.583 ' HB2' ' CE2' ' B' ' 4' ' ' PHE . . . -88.43 113.85 24.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 63.340000000000003 111.083 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.407 HG22 ' CD2' ' G' ' 20' ' ' PHE . 0.7 OUTLIER -109.41 108.07 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 71.439999999999998 111.123 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 mt -131.0 108.94 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 73.510000000000005 111.151 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.42 -49.99 19.03 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 65.219999999999999 112.455 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.818 ' N ' HD13 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -156.69 152.44 27.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.784 0.326 . . . . 62.43 110.93 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -124.39 119.4 29.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 71.420000000000002 110.846 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.439 HG11 HG21 ' B' ' 36' ' ' VAL . 86.5 t -126.51 111.72 27.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 74.239999999999995 111.105 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . 0.672 ' O ' HD21 ' B' ' 17' ' ' LEU . . . 58.44 18.36 36.41 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.685 -0.769 . . . . 54.109999999999999 112.492 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.33 153.5 21.58 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 51.520000000000003 112.479 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.625 HG12 ' H ' ' F' ' 39' ' ' VAL . 11.1 m -127.18 -174.74 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 72.140000000000001 111.09 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 17.9 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 75.230000000000004 111.143 179.943 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.82 0.343 . . . . 60.119999999999997 110.868 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.54 98.14 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 64.310000000000002 111.083 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 39.8 mp0 -52.47 -29.55 25.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 75.209999999999994 110.923 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 4' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' C' ' 30' ' ' ALA . 2.6 m-85 -151.84 112.73 4.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 74.340000000000003 110.828 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.13 108.44 8.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 74.129999999999995 110.852 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -115.76 126.9 54.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 62.229999999999997 110.857 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -131.35 102.63 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 74.150000000000006 110.849 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' G' ' 8' ' ' SER . 90.4 p -154.45 127.32 8.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 61.100000000000001 110.866 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.91 -26.42 11.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 74.519999999999996 112.478 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.34 112.57 4.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.825 0.345 . . . . 61.520000000000003 110.94 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -109.09 119.83 40.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 72.340000000000003 110.922 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 32.0 t -133.51 121.38 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 72.439999999999998 111.157 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -121.63 113.17 19.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 72.319999999999993 110.867 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -115.98 123.03 46.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 74.25 110.911 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -124.37 131.48 53.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 75.109999999999999 110.927 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -127.96 122.55 32.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 63.310000000000002 110.907 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.79 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.3 mm? -119.52 100.65 7.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 73.120000000000005 110.877 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' H' ' 21' ' ' ALA . 18.5 t -101.57 109.19 25.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 64.549999999999997 111.144 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.573 ' HE1' HD12 ' H' ' 17' ' ' LEU . 8.4 m-30 -102.5 106.57 17.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 74.230000000000004 110.889 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . 0.418 ' CD2' HG22 ' H' ' 31' ' ' ILE . 8.5 m-30 57.24 90.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 74.329999999999998 110.861 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . 0.476 ' HB2' ' CG1' ' H' ' 18' ' ' VAL . . . -118.54 148.24 42.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 63.5 111.096 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 53.05 82.7 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 72.239999999999995 110.839 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.576 HG11 ' OD1' ' H' ' 27' ' ' ASN . 6.4 p -133.53 126.0 51.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 71.329999999999998 111.134 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.92 -44.71 87.61 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 62.219999999999999 112.479 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 34.0 m -163.16 135.04 5.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.944 0.402 . . . . 63.409999999999997 110.829 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . 0.576 ' OD1' HG11 ' H' ' 24' ' ' VAL . 10.9 m120 -106.17 103.21 12.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 73.109999999999999 110.92 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 tptp -113.63 156.93 22.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 74.209999999999994 110.901 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.28 -139.46 28.06 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.696 -0.764 . . . . 62.119999999999997 112.521 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . 0.588 ' HB2' ' CE2' ' C' ' 4' ' ' PHE . . . -88.76 113.8 24.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.765 0.317 . . . . 74.329999999999998 111.061 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.418 HG22 ' CD2' ' H' ' 20' ' ' PHE . 0.7 OUTLIER -109.34 107.9 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 72.420000000000002 111.18 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -130.93 109.64 16.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 72.349999999999994 111.132 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . 0.417 ' C ' HD13 ' H' ' 34' ' ' LEU . . . -47.58 -50.59 18.68 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 73.140000000000001 112.46 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.813 ' N ' HD13 ' H' ' 34' ' ' LEU . 0.0 OUTLIER -154.69 151.78 29.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 70.439999999999998 110.924 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -124.36 118.03 25.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 75.409999999999997 110.86 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.417 HG11 HG21 ' C' ' 36' ' ' VAL . 86.7 t -129.61 111.33 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 53.420000000000002 111.115 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . 0.666 ' O ' HD21 ' C' ' 17' ' ' LEU . . . 59.05 18.11 39.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.826 -0.702 . . . . 75.540000000000006 112.457 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.74 153.98 21.94 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 51.329999999999998 112.475 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.63 ' H ' HG12 ' I' ' 39' ' ' VAL . 5.3 m -130.49 -174.53 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 73.209999999999994 111.113 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 74.439999999999998 111.137 179.912 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.869 0.366 . . . . 71.129999999999995 110.866 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.4 98.22 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 64.519999999999996 111.089 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 40.4 mp0 -52.34 -29.93 26.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 65.409999999999997 110.854 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 4' ' ' PHE . . . . . 0.585 ' CZ ' ' HB2' ' D' ' 30' ' ' ALA . 2.7 m-85 -150.84 112.68 4.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 73.420000000000002 110.899 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.44 108.52 9.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 72.340000000000003 110.882 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -117.0 125.12 50.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 65.129999999999995 110.834 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -129.37 102.61 6.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 72.420000000000002 110.847 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' H' ' 8' ' ' SER . 89.0 p -154.91 127.19 7.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 73.340000000000003 110.853 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.97 -25.7 17.35 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.749 -0.739 . . . . 62.149999999999999 112.486 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.08 113.76 5.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.873 0.368 . . . . 73.420000000000002 110.881 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -109.24 119.84 40.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 75.319999999999993 110.885 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 32.1 t -133.39 120.86 40.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 74.120000000000005 111.105 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -121.9 113.15 19.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 73.340000000000003 110.875 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -115.27 124.06 50.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 73.25 110.858 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -124.95 131.41 53.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 72.420000000000002 110.929 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -126.53 122.43 35.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 71.349999999999994 110.875 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.764 HD13 ' HB2' ' H' ' 17' ' ' LEU . 4.2 mm? -121.56 100.61 7.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 73.5 110.889 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . 0.507 ' CG1' ' HB2' ' I' ' 21' ' ' ALA . 20.9 t -102.29 109.86 27.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 72.349999999999994 111.113 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . 0.565 ' HE1' HD12 ' I' ' 17' ' ' LEU . 7.8 m-30 -102.06 104.96 15.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 75.420000000000002 110.878 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . 0.424 ' CD2' HG22 ' I' ' 31' ' ' ILE . 8.5 m-30 57.34 90.56 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 64.099999999999994 110.881 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . 0.507 ' HB2' ' CG1' ' I' ' 18' ' ' VAL . . . -118.74 148.84 42.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 43.219999999999999 111.112 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 52.78 82.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 73.409999999999997 110.856 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.557 HG11 ' OD1' ' I' ' 27' ' ' ASN . 6.3 p -133.41 125.87 51.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 63.039999999999999 111.166 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.98 -44.27 87.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 51.439999999999998 112.504 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 34.6 m -163.16 135.3 5.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 64.450000000000003 110.872 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . 0.557 ' OD1' HG11 ' I' ' 24' ' ' VAL . 10.3 m120 -106.17 102.88 12.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 63.200000000000003 110.91 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 tptp -113.94 157.17 22.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 73.430000000000007 110.867 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.47 -139.59 28.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.707 -0.759 . . . . 72.519999999999996 112.512 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.572 ' HB2' ' CE2' ' D' ' 4' ' ' PHE . . . -88.78 113.65 24.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.75 0.309 . . . . 74.409999999999997 111.082 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.424 HG22 ' CD2' ' I' ' 20' ' ' PHE . 0.7 OUTLIER -109.13 107.97 24.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 63.130000000000003 111.157 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 mt -130.52 110.09 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 72.049999999999997 111.148 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . 0.484 ' C ' HD13 ' I' ' 34' ' ' LEU . . . -47.66 -51.9 16.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.761 . . . . 62.329999999999998 112.491 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.806 ' N ' HD13 ' I' ' 34' ' ' LEU . 0.0 OUTLIER -152.86 150.53 29.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.781 0.324 . . . . 63.530000000000001 110.937 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -124.55 117.74 25.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 73.209999999999994 110.891 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 92.5 t -132.02 111.14 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 51.539999999999999 111.103 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . 0.675 ' O ' HD21 ' D' ' 17' ' ' LEU . . . 58.71 17.6 35.23 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.75 . . . . 71.109999999999999 112.443 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.0 155.72 22.16 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 42.350000000000001 112.467 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 0.63 HG12 ' H ' ' H' ' 39' ' ' VAL . 5.3 m -132.35 -174.13 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 75.5 111.129 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 18.5 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 65.530000000000001 111.069 179.943 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.786 0.327 . . . . 75.349999999999994 110.846 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.96 98.12 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 74.450000000000003 111.05 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 39.4 mp0 -52.0 -29.66 21.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 75.540000000000006 110.916 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 4' ' ' PHE . . . . . 0.592 ' CZ ' ' HB2' ' E' ' 30' ' ' ALA . 2.6 m-85 -150.37 114.31 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 61.420000000000002 110.867 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.62 107.96 9.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 75.439999999999998 110.88 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -117.59 123.81 47.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 74.219999999999999 110.86 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -127.55 101.6 6.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 73.129999999999995 110.839 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 87.7 p -155.8 127.99 7.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 54.439999999999998 110.812 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.48 -23.81 36.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 70.319999999999993 112.478 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.86 113.55 5.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.833 0.349 . . . . 73.219999999999999 110.945 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -108.83 119.94 41.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 73.510000000000005 110.889 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 32.1 t -133.26 120.62 40.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 54.520000000000003 111.13 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -122.54 113.24 19.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 73.340000000000003 110.842 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -114.1 127.08 55.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 62.329999999999998 110.832 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -127.45 132.77 49.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 63.509999999999998 110.946 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 tttp -126.65 122.35 34.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 72.319999999999993 110.867 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.738 HD13 ' HB2' ' I' ' 17' ' ' LEU . 4.1 mm? -123.78 100.7 6.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 64.510000000000005 110.954 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.503 ' CG1' ' HB2' ' J' ' 21' ' ' ALA . 17.5 t -100.59 111.67 30.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 74.439999999999998 111.1 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.559 ' HE1' HD12 ' J' ' 17' ' ' LEU . 8.7 m-30 -102.33 100.72 10.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 74.109999999999999 110.885 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . 0.426 ' CD2' HG22 ' J' ' 31' ' ' ILE . 8.6 m-30 57.87 90.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 72.219999999999999 110.894 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . 0.503 ' HB2' ' CG1' ' J' ' 18' ' ' VAL . . . -118.35 150.2 39.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 64.099999999999994 111.101 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 51.69 82.13 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 72.010000000000005 110.904 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.602 HG11 ' OD1' ' J' ' 27' ' ' ASN . 6.8 p -132.95 123.97 49.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 73.310000000000002 111.122 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.29 -43.21 84.37 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 70.420000000000002 112.5 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 34.2 m -163.91 134.02 4.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 75.430000000000007 110.876 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . 0.602 ' OD1' HG11 ' J' ' 24' ' ' VAL . 9.7 m120 -105.06 102.26 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 74.209999999999994 110.93 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -113.95 158.22 21.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 44.240000000000002 110.882 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.93 -140.15 29.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 71.209999999999994 112.498 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 0.57 ' HB2' ' CZ ' ' E' ' 4' ' ' PHE . . . -88.49 113.84 24.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 72.239999999999995 111.124 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.426 HG22 ' CD2' ' J' ' 20' ' ' PHE . 0.7 OUTLIER -108.25 107.77 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 74.150000000000006 111.139 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mt -128.03 109.39 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 71.409999999999997 111.115 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . 0.569 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -48.81 -49.73 27.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.789 -0.72 . . . . 64.140000000000001 112.465 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.776 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -153.21 150.8 29.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.82 0.343 . . . . 71.510000000000005 110.928 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -128.93 117.4 20.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 72.450000000000003 110.888 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 90.5 t -134.82 110.08 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 74.109999999999999 111.143 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . 0.718 ' O ' HD21 ' E' ' 17' ' ' LEU . . . 57.37 18.31 28.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 35.299999999999997 112.521 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.88 156.68 22.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.734 . . . . 44.32 112.455 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.605 HG12 ' O ' ' I' ' 39' ' ' VAL . 8.0 m -135.0 -175.26 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 74.129999999999995 111.135 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 72.239999999999995 111.143 179.909 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.835 0.35 . . . . 72.120000000000005 110.869 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.77 88.17 5.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 63.240000000000002 111.07 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -51.81 -33.25 34.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 75.319999999999993 110.907 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.543 ' CD1' ' HB2' ' F' ' 30' ' ' ALA . 2.1 t80 -168.59 124.27 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 73.400000000000006 110.867 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.0 mmm-85 -128.82 109.14 11.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 75.519999999999996 110.916 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -105.74 111.17 23.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 71.329999999999998 110.861 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -114.12 102.34 10.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 72.099999999999994 110.901 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 83.4 p -147.19 174.67 11.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 65.439999999999998 110.862 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.92 -22.65 5.58 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.7 -0.762 . . . . 50.420000000000002 112.449 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -151.29 101.95 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.841 0.353 . . . . 75.340000000000003 110.889 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.65 120.01 39.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 71.319999999999993 110.918 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.9 t -138.16 113.63 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 70.239999999999995 111.174 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -119.49 116.32 25.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 64.109999999999999 110.875 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -118.77 133.87 55.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 71.030000000000001 110.913 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.91 132.73 54.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 62.119999999999997 110.909 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.526 ' C ' HD22 ' A' ' 17' ' ' LEU . 4.5 tttp -131.74 115.23 15.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 45.240000000000002 110.891 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.677 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.5 mm? -124.71 102.23 7.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 71.239999999999995 110.881 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.711 HG12 ' HB2' ' A' ' 21' ' ' ALA . 2.1 t -108.67 111.06 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 60.030000000000001 111.123 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.452 ' HD2' HD12 ' B' ' 34' ' ' LEU . 6.9 m-85 -103.07 140.41 37.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 64.129999999999995 110.943 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.599 ' HE1' HG22 ' A' ' 31' ' ' ILE . 16.7 m-85 61.99 36.61 15.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 73.120000000000005 110.891 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.711 ' HB2' HG12 ' A' ' 18' ' ' VAL . . . -89.48 128.29 35.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 70.219999999999999 111.097 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.81 76.38 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 72.409999999999997 110.892 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.9 p -138.61 140.31 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 64.319999999999993 111.105 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.31 -46.21 94.21 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 61.329999999999998 112.511 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.07 147.58 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.382 . . . . 64.200000000000003 110.847 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.468 ' HB3' HD13 ' A' ' 31' ' ' ILE . 40.1 m-20 -100.64 104.55 15.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.498 . . . . 64.420000000000002 110.914 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -114.15 158.9 20.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 75.540000000000006 110.873 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.38 -136.19 35.87 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.757 -0.735 . . . . 71.120000000000005 112.485 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.456 ' HB2' ' CD1' ' F' ' 4' ' ' PHE . . . -91.59 113.05 25.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.722 0.296 . . . . 62.130000000000003 111.094 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.599 HG22 ' HE1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -130.01 127.76 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 75.450000000000003 111.114 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.9 mt -133.39 119.42 34.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 73.340000000000003 111.12 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.56 -56.39 8.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 64.420000000000002 112.498 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.847 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -158.44 151.67 22.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 65.310000000000002 110.939 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.4 mtp -128.72 124.89 36.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 73.239999999999995 110.871 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.932 HG11 HG11 ' F' ' 36' ' ' VAL . 26.8 t -123.01 111.99 32.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 62.420000000000002 111.148 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.61 28.48 37.73 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 33.43 112.496 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.69 -163.87 26.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 62.240000000000002 112.477 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.782 HG13 HG23 ' B' ' 39' ' ' VAL . 9.7 p -163.94 146.0 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.88 0.371 . . . . 64.230000000000004 111.103 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.595 HG12 HG22 ' B' ' 40' ' ' VAL . 28.5 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 73.319999999999993 111.151 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.812 0.339 . . . . 64.349999999999994 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.24 89.55 4.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 44.210000000000001 111.09 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -51.49 -29.79 17.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 71.209999999999994 110.847 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.588 ' CD1' ' HB2' ' G' ' 30' ' ' ALA . 2.0 t80 -166.89 124.66 1.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.540000000000006 110.845 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 mmm-85 -127.18 108.76 11.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 74.150000000000006 110.848 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -106.73 109.36 21.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 73.120000000000005 110.805 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -114.32 101.59 9.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 72.450000000000003 110.866 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 83.5 p -146.31 174.43 11.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.310000000000002 110.921 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.04 -22.24 5.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 62.210000000000001 112.471 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -151.86 101.48 2.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 72.340000000000003 110.915 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.56 120.0 38.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 73.439999999999998 110.906 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 89.1 t -136.97 113.77 12.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 64.209999999999994 111.099 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -121.39 115.39 22.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 74.540000000000006 110.847 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -119.26 135.7 54.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 63.520000000000003 110.839 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.82 132.6 54.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 74.400000000000006 110.881 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.551 ' O ' HD22 ' B' ' 17' ' ' LEU . 4.4 tttp -126.23 115.69 20.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 72.219999999999999 110.877 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.677 HD13 ' HB2' ' A' ' 17' ' ' LEU . 4.5 mm? -126.55 102.27 7.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 62.299999999999997 110.923 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.855 HG12 ' HB2' ' B' ' 21' ' ' ALA . 1.5 t -109.99 113.44 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 71.319999999999993 111.101 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.475 ' HD2' HD12 ' C' ' 34' ' ' LEU . 4.6 m-85 -107.6 136.79 46.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 72.439999999999998 110.892 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.685 ' HE1' HG22 ' B' ' 31' ' ' ILE . 19.6 m-85 61.07 36.36 18.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 62.229999999999997 110.891 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.855 ' HB2' HG12 ' B' ' 18' ' ' VAL . . . -89.51 126.47 35.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.498 . . . . 71.230000000000004 111.08 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.47 78.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 61.420000000000002 110.899 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.406 HG22 ' H ' ' B' ' 26' ' ' SER . 6.0 p -139.59 140.19 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 65.409999999999997 111.113 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.85 -45.68 94.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 64.129999999999995 112.524 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.406 ' H ' HG22 ' B' ' 24' ' ' VAL . 0.4 OUTLIER -179.91 146.3 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.929 0.395 . . . . 62.229999999999997 110.826 -179.749 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.521 ' OD1' HG21 ' B' ' 31' ' ' ILE . 59.3 m-20 -100.55 105.06 16.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 74.109999999999999 110.886 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -114.61 160.0 19.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 44.43 110.899 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.76 -134.44 35.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 43.409999999999997 112.503 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.497 ' HB2' ' CD1' ' G' ' 4' ' ' PHE . . . -91.06 112.83 24.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 62.530000000000001 111.093 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.685 HG22 ' HE1' ' B' ' 20' ' ' PHE . 0.5 OUTLIER -128.28 124.2 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 50.549999999999997 111.125 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 8.0 mt -131.74 119.27 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 63.039999999999999 111.146 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.1 -56.97 10.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.798 -0.715 . . . . 73.140000000000001 112.486 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.856 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -155.38 151.16 27.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.336 . . . . 54.210000000000001 110.922 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 7.6 mtp -129.23 122.78 30.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 71.109999999999999 110.89 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.994 HG11 HG11 ' G' ' 36' ' ' VAL . 39.0 t -122.97 111.88 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 74.230000000000004 111.143 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.15 30.0 22.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 73.150000000000006 112.507 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.43 -163.84 27.33 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 52.119999999999997 112.507 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.782 HG23 HG13 ' A' ' 39' ' ' VAL . 9.0 p -163.17 145.59 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 63.340000000000003 111.133 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.599 HG12 HG22 ' C' ' 40' ' ' VAL . 27.4 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 73.109999999999999 111.111 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.845 0.355 . . . . 74.140000000000001 110.819 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.84 88.66 5.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 50.009999999999998 111.103 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -52.82 -30.52 33.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 73.349999999999994 110.922 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . 0.594 ' CD1' ' HB2' ' H' ' 30' ' ' ALA . 2.0 t80 -167.99 123.79 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 74.109999999999999 110.882 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -126.72 108.59 11.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 73.450000000000003 110.863 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -106.31 109.2 21.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 74.019999999999996 110.862 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -114.83 101.47 9.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 71.109999999999999 110.893 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 83.4 p -145.48 174.63 10.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 55.200000000000003 110.909 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.16 -22.42 5.58 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 33.509999999999998 112.497 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -151.9 100.66 2.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 61.43 110.967 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.93 120.17 39.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 72.099999999999994 110.915 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 90.8 t -136.5 113.85 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 75.010000000000005 111.074 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -121.12 114.15 21.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 73.140000000000001 110.869 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -118.98 136.6 54.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 64.010000000000005 110.841 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.53 133.28 54.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 75.120000000000005 110.907 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.591 ' O ' HD22 ' C' ' 17' ' ' LEU . 4.4 tttp -123.76 115.61 21.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 74.150000000000006 110.904 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.664 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.5 mm? -127.93 102.73 6.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 71.239999999999995 110.903 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.851 HG12 ' HB2' ' C' ' 21' ' ' ALA . 1.3 t -111.97 114.46 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 55.210000000000001 111.088 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.479 ' HD2' HD12 ' D' ' 34' ' ' LEU . 2.9 m-85 -107.94 136.37 47.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 73.140000000000001 110.885 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.661 ' HE1' HG22 ' C' ' 31' ' ' ILE . 20.2 m-85 59.9 36.95 21.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 64.010000000000005 110.891 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 0.851 ' HB2' HG12 ' C' ' 18' ' ' VAL . . . -89.72 127.57 35.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 70.019999999999996 111.092 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.85 80.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 73.150000000000006 110.883 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 6.4 p -139.01 139.67 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 75.519999999999996 111.16 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.24 -46.34 91.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 65.219999999999999 112.494 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.69 146.1 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.913 0.387 . . . . 73.010000000000005 110.849 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.487 ' OD1' HG21 ' C' ' 31' ' ' ILE . 51.4 m-20 -100.61 104.08 15.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 74.319999999999993 110.9 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -114.54 159.91 19.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 72.400000000000006 110.922 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.69 -135.55 38.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 42.509999999999998 112.427 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.502 ' HB2' ' CD1' ' H' ' 4' ' ' PHE . . . -91.71 112.53 24.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.331 . . . . 73.030000000000001 111.087 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.661 HG22 ' HE1' ' C' ' 20' ' ' PHE . 0.4 OUTLIER -128.32 124.16 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 62.539999999999999 111.108 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.479 HG21 ' HG3' ' C' ' 35' ' ' MET . 7.6 mt -130.15 118.92 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 74.239999999999995 111.104 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.65 -57.23 9.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 62.420000000000002 112.496 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.853 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -153.89 149.9 27.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 64.230000000000004 110.921 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.479 ' HG3' HG21 ' C' ' 32' ' ' ILE . 8.2 mtp -129.14 122.52 30.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 71.129999999999995 110.825 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 1.024 HG11 HG11 ' H' ' 36' ' ' VAL . 42.0 t -124.38 112.28 31.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 63.340000000000003 111.115 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.09 30.18 16.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 72.549999999999997 112.489 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.74 -163.66 28.03 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.696 -0.764 . . . . 63.539999999999999 112.517 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.767 HG23 HG13 ' B' ' 39' ' ' VAL . 7.9 p -162.62 144.95 3.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.844 0.354 . . . . 75.299999999999997 111.176 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.599 HG22 HG12 ' B' ' 40' ' ' VAL . 28.0 m . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 73.340000000000003 111.108 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.796 0.331 . . . . 72.140000000000001 110.879 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.59 88.32 5.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 74.230000000000004 111.095 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -52.82 -32.01 41.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 72.409999999999997 110.877 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 4' ' ' PHE . . . . . 0.613 ' CD1' ' HB2' ' I' ' 30' ' ' ALA . 2.1 t80 -168.01 123.0 0.98 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 73.420000000000002 110.91 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -126.34 108.48 11.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 71.420000000000002 110.872 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -106.31 108.8 20.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 74.420000000000002 110.866 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -114.66 101.61 9.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 74.319999999999993 110.856 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 83.5 p -144.79 174.15 11.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 64.319999999999993 110.872 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.85 -22.26 5.74 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 54.340000000000003 112.483 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -152.12 99.63 2.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.358 . . . . 70.129999999999995 110.897 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -100.19 120.23 39.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 62.420000000000002 110.895 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 89.8 t -136.99 114.29 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 70.430000000000007 111.125 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -119.99 114.66 22.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 63.340000000000003 110.82 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -118.13 136.93 53.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 71.239999999999995 110.853 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.03 133.65 51.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 71.299999999999997 110.916 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . 0.653 ' O ' HD22 ' D' ' 17' ' ' LEU . 4.2 tttp -122.75 115.47 22.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 74.439999999999998 110.944 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.653 HD22 ' O ' ' D' ' 16' ' ' LYS . 4.6 mm? -130.04 101.93 6.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 74.400000000000006 110.92 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.82 HG12 ' HB2' ' D' ' 21' ' ' ALA . 0.6 OUTLIER -112.17 117.04 54.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 63.520000000000003 111.118 179.848 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.48 ' HD2' HD12 ' E' ' 34' ' ' LEU . 2.0 m-85 -108.89 136.25 48.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 71.439999999999998 110.901 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.585 ' HE1' HG22 ' D' ' 31' ' ' ILE . 18.7 m-85 58.55 35.76 24.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 74.030000000000001 110.872 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . 0.82 ' HB2' HG12 ' D' ' 18' ' ' VAL . . . -90.44 127.78 36.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 75.129999999999995 111.074 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.49 79.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 72.319999999999993 110.852 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.406 HG22 ' H ' ' D' ' 26' ' ' SER . 6.0 p -138.82 139.6 40.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 62.32 111.118 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.82 -46.26 90.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 65.349999999999994 112.511 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . 0.406 ' H ' HG22 ' D' ' 24' ' ' VAL . 0.4 OUTLIER 179.99 144.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.86 0.362 . . . . 72.129999999999995 110.89 -179.732 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.45 ' HB3' HD13 ' D' ' 31' ' ' ILE . 54.5 m-20 -99.27 103.39 15.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 75.019999999999996 110.855 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -114.58 160.2 19.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 44.109999999999999 110.89 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.88 -135.97 38.33 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.752 -0.737 . . . . 45.420000000000002 112.463 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.512 ' HB2' ' CD1' ' I' ' 4' ' ' PHE . . . -92.36 112.87 24.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.755 0.312 . . . . 52.420000000000002 111.104 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.585 HG22 ' HE1' ' D' ' 20' ' ' PHE . 0.4 OUTLIER -128.85 125.15 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 63.32 111.104 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.562 HG21 ' HG3' ' D' ' 35' ' ' MET . 7.6 mt -129.42 118.96 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 72.209999999999994 111.119 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.08 -58.48 8.64 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.73 -0.748 . . . . 44.329999999999998 112.435 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.861 HD22 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -152.1 147.49 26.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.866 0.365 . . . . 74.329999999999998 110.917 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.562 ' HG3' HG21 ' D' ' 32' ' ' ILE . 9.1 mtp -128.84 122.36 30.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 73.040000000000006 110.854 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 1.028 HG11 HG11 ' I' ' 36' ' ' VAL . 40.2 t -126.31 111.91 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 73.239999999999995 111.164 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.11 28.97 19.99 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 73.540000000000006 112.505 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.55 -163.83 29.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 51.219999999999999 112.506 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.764 HG23 HG13 ' C' ' 39' ' ' VAL . 9.1 p -162.17 145.06 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 72.25 111.102 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.575 HG22 HG12 ' C' ' 40' ' ' VAL . 28.8 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 71.140000000000001 111.179 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.851 0.358 . . . . 74.409999999999997 110.919 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.02 89.69 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 74.530000000000001 111.095 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -51.84 -30.54 24.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 73.420000000000002 110.881 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 4' ' ' PHE . . . . . 0.644 ' CD1' ' HB2' ' J' ' 30' ' ' ALA . 2.1 t80 -166.61 125.58 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 73.239999999999995 110.87 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 7.6 mmm-85 -126.14 108.38 11.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 75.400000000000006 110.862 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -106.89 109.2 21.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 65.010000000000005 110.819 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -116.38 101.41 8.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 72.299999999999997 110.852 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 83.5 p -146.2 171.53 14.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 75.430000000000007 110.83 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.99 -21.15 6.44 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 70.200000000000003 112.488 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -151.06 98.6 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 74.120000000000005 110.958 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -100.23 120.12 39.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 60.119999999999997 110.906 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 84.0 t -137.4 114.22 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 73.25 111.107 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -119.24 113.66 21.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 70.150000000000006 110.819 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -118.1 135.68 54.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 62.5 110.789 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.84 137.91 52.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 63.520000000000003 110.908 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . 0.674 ' O ' HD22 ' E' ' 17' ' ' LEU . 4.2 tttp -123.93 114.81 20.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 75.109999999999999 110.861 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.674 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.6 mm? -130.54 101.44 5.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 62.25 110.931 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.802 HG12 ' HB2' ' E' ' 21' ' ' ALA . 0.2 OUTLIER -110.89 120.86 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 72.219999999999999 111.135 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.463 ' HE1' HD12 ' E' ' 17' ' ' LEU . 1.7 m-85 -111.53 136.2 51.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 51.530000000000001 110.89 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.501 ' HE1' HG22 ' E' ' 31' ' ' ILE . 20.5 m-85 55.27 35.06 24.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 63.25 110.886 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . 0.802 ' HB2' HG12 ' E' ' 18' ' ' VAL . . . -92.01 129.77 37.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 73.430000000000007 111.098 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 57.19 81.26 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 33.43 110.832 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.427 HG22 ' H ' ' E' ' 26' ' ' SER . 5.7 p -139.54 138.43 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 62.409999999999997 111.126 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.28 -45.39 88.53 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 65.219999999999999 112.519 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . 0.427 ' H ' HG22 ' E' ' 24' ' ' VAL . 0.4 OUTLIER -179.92 141.68 0.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.875 0.369 . . . . 71.340000000000003 110.832 -179.71 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -98.25 101.16 12.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 72.549999999999997 110.918 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -114.77 161.35 18.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 73.349999999999994 110.91 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.69 -137.53 39.16 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.693 -0.765 . . . . 75.129999999999995 112.484 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.542 ' HB2' ' CE1' ' J' ' 4' ' ' PHE . . . -92.92 113.03 25.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 63.439999999999998 111.134 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.501 HG22 ' HE1' ' E' ' 20' ' ' PHE . 0.4 OUTLIER -128.75 125.3 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 60.329999999999998 111.132 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.622 HG21 ' HG3' ' E' ' 35' ' ' MET . 7.6 mt -125.84 118.16 51.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 74.530000000000001 111.131 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . 0.491 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -50.7 -55.6 16.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 43.310000000000002 112.443 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.828 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -152.77 150.1 29.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.34 . . . . 75.040000000000006 110.931 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.622 ' HG3' HG21 ' E' ' 32' ' ' ILE . 10.9 mtp -132.13 120.48 22.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 72.430000000000007 110.939 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.952 HG11 HG11 ' J' ' 36' ' ' VAL . 40.6 t -129.01 110.51 20.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 62.43 111.122 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.24 31.99 20.66 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.72 -0.752 . . . . 54.240000000000002 112.519 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.59 -162.83 25.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.716 -0.754 . . . . 44.409999999999997 112.491 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.754 HG23 HG13 ' D' ' 39' ' ' VAL . 12.1 p -161.59 145.79 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 73.450000000000003 111.111 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.546 ' CG2' HG12 ' D' ' 40' ' ' VAL . 29.8 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 74.010000000000005 111.154 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.863 0.363 . . . . 73.120000000000005 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.73 88.12 4.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 52.329999999999998 111.09 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -52.21 -33.53 41.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 73.239999999999995 110.905 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 4' ' ' PHE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 1.3 t80 -168.49 123.84 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 70.349999999999994 110.866 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -128.62 109.24 11.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 72.150000000000006 110.881 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -105.09 110.8 23.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 62.539999999999999 110.859 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -112.37 102.97 11.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 63.219999999999999 110.906 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 83.2 p -146.61 174.44 11.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 44.130000000000003 110.88 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.52 -22.97 5.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 71.420000000000002 112.473 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -151.44 101.39 2.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 54.299999999999997 110.903 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -99.77 120.08 39.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.501 . . . . 61.539999999999999 110.912 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 98.7 t -138.19 113.89 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 64.019999999999996 111.139 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -119.09 116.56 26.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 74.319999999999993 110.878 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -118.71 134.64 54.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 61.350000000000001 110.838 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.07 132.44 54.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 55.200000000000003 110.905 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . 0.544 ' C ' HD22 ' F' ' 17' ' ' LEU . 4.4 tttp -132.32 115.05 15.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 74.219999999999999 110.917 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.679 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.5 mm? -125.22 102.21 7.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 72.030000000000001 110.932 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.675 HG12 ' HB2' ' F' ' 21' ' ' ALA . 2.1 t -108.59 111.27 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 74.239999999999995 111.081 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.44 ' HD2' HD12 ' G' ' 34' ' ' LEU . 7.0 m-85 -103.01 140.76 36.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 75.239999999999995 110.882 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . 0.555 ' HE1' HG22 ' F' ' 31' ' ' ILE . 16.7 m-85 61.57 37.02 16.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 74.409999999999997 110.902 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . 0.675 ' HB2' HG12 ' F' ' 18' ' ' VAL . . . -89.48 127.78 35.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 45.240000000000002 111.158 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.03 77.28 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 74.010000000000005 110.91 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 5.8 p -139.0 140.68 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 74.299999999999997 111.134 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.74 -46.91 93.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.735 . . . . 50.210000000000001 112.489 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.19 146.2 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.384 . . . . 71.040000000000006 110.84 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . 0.484 ' HB3' HD13 ' F' ' 31' ' ' ILE . 35.2 m-20 -99.35 104.14 16.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 61.119999999999997 110.878 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -113.52 159.29 19.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 72.340000000000003 110.85 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.23 -138.63 31.31 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 32.420000000000002 112.497 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.543 ' HB2' ' CD1' ' A' ' 4' ' ' PHE . . . -90.49 112.81 24.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.774 0.321 . . . . 53.229999999999997 111.052 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.555 HG22 ' HE1' ' F' ' 20' ' ' PHE . 0.2 OUTLIER -129.38 129.51 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 74.150000000000006 111.155 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 8.6 mt -134.1 119.22 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 74.439999999999998 111.158 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.66 -56.59 7.28 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.748 . . . . 71.219999999999999 112.523 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.841 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -158.44 151.62 22.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.763 0.316 . . . . 74.530000000000001 110.93 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 7.6 mtp -129.09 123.66 32.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 74.349999999999994 110.91 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.932 HG11 HG11 ' A' ' 36' ' ' VAL . 25.6 t -123.22 113.04 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 45.439999999999998 111.134 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.94 28.67 40.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 72.150000000000006 112.525 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.58 -163.47 25.25 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.764 -0.732 . . . . 52.509999999999998 112.524 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.755 HG13 HG23 ' G' ' 39' ' ' VAL . 11.9 p -164.71 146.73 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 73.439999999999998 111.13 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.581 HG12 ' CG2' ' G' ' 40' ' ' VAL . 29.7 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 73.5 111.138 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.852 0.358 . . . . 60.240000000000002 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.96 89.36 3.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 71.439999999999998 111.091 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -50.99 -30.58 15.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 45.530000000000001 110.885 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 4' ' ' PHE . . . . . 0.497 ' CD1' ' HB2' ' B' ' 30' ' ' ALA . 1.4 t80 -167.44 124.85 1.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 71.400000000000006 110.92 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 8.1 mmm-85 -127.0 108.5 10.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 75.310000000000002 110.863 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -105.97 108.95 20.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 72.239999999999995 110.823 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -113.52 101.95 9.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 54.119999999999997 110.881 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 83.4 p -146.13 174.27 11.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 62.119999999999997 110.837 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.92 -22.55 5.62 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 73.319999999999993 112.499 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -151.77 101.25 2.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.916 0.389 . . . . 74.530000000000001 110.924 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.86 119.94 38.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 72.129999999999995 110.93 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 90.7 t -136.44 113.85 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 75.439999999999998 111.127 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -120.85 114.81 22.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 65.219999999999999 110.872 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -119.18 135.82 54.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 74.329999999999998 110.874 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.83 132.56 54.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 70.019999999999996 110.92 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . 0.562 ' O ' HD22 ' G' ' 17' ' ' LEU . 4.5 tttp -126.67 115.68 19.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 74.329999999999998 110.86 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.679 HD13 ' HB2' ' F' ' 17' ' ' LEU . 4.5 mm? -126.64 102.29 7.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 44.539999999999999 110.909 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.849 HG12 ' HB2' ' G' ' 21' ' ' ALA . 1.5 t -109.78 113.45 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 72.109999999999999 111.096 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.475 ' CE1' HD12 ' G' ' 17' ' ' LEU . 4.6 m-85 -107.56 136.86 46.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.899 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 0.657 ' HE1' HG22 ' G' ' 31' ' ' ILE . 19.5 m-85 60.95 36.36 18.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 42.119999999999997 110.865 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . 0.849 ' HB2' HG12 ' G' ' 18' ' ' VAL . . . -89.5 126.77 35.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 73.340000000000003 111.071 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.39 78.79 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 72.420000000000002 110.922 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 p -139.24 140.25 38.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 64.340000000000003 111.152 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.37 -45.95 94.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 53.399999999999999 112.452 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.1 145.29 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.372 . . . . 63.439999999999998 110.867 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . 0.507 ' OD1' HG21 ' G' ' 31' ' ' ILE . 52.4 m-20 -100.18 104.12 15.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 74.030000000000001 110.888 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -113.82 160.79 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 73.140000000000001 110.911 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.45 -136.22 31.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 72.430000000000007 112.46 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.588 ' HB2' ' CD1' ' B' ' 4' ' ' PHE . . . -90.03 112.75 24.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.329 . . . . 63.409999999999997 111.094 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.657 HG22 ' HE1' ' G' ' 20' ' ' PHE . 0.5 OUTLIER -127.36 125.76 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 62.420000000000002 111.156 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.413 HG21 ' HG3' ' G' ' 35' ' ' MET . 9.0 mt -132.56 119.01 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 73.120000000000005 111.097 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.15 -57.18 10.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.723 -0.751 . . . . 44.32 112.482 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.854 HD22 ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -155.36 151.36 27.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.846 0.355 . . . . 64.409999999999997 110.907 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.413 ' HG3' HG21 ' G' ' 32' ' ' ILE . 7.5 mtp -129.55 122.54 29.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 74.239999999999995 110.922 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.994 HG11 HG11 ' B' ' 36' ' ' VAL . 38.4 t -123.58 112.58 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 73.209999999999994 111.168 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.1 29.3 20.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.76 . . . . 73.230000000000004 112.513 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.24 -164.04 27.54 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 64.010000000000005 112.506 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.765 HG13 HG23 ' H' ' 39' ' ' VAL . 8.5 p -163.1 145.57 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.368 . . . . 65.209999999999994 111.149 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.582 HG12 ' CG2' ' H' ' 40' ' ' VAL . 28.8 m . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 70.420000000000002 111.138 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.858 0.361 . . . . 71.209999999999994 110.863 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.71 89.35 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 71.519999999999996 111.114 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.55 -31.02 22.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 62.219999999999999 110.872 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 4' ' ' PHE . . . . . 0.502 ' CD1' ' HB2' ' C' ' 30' ' ' ALA . 1.3 t80 -168.42 124.66 1.01 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 75.129999999999995 110.871 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -127.34 108.38 10.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 64.340000000000003 110.899 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -106.04 108.65 20.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 74.430000000000007 110.825 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -113.88 101.86 9.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 72.329999999999998 110.843 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 83.4 p -145.02 174.32 11.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 55.420000000000002 110.838 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.94 -22.23 5.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 64.150000000000006 112.504 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -152.16 100.62 2.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 72.219999999999999 110.947 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.94 120.11 39.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 74.409999999999997 110.873 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 86.7 t -136.15 114.13 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 72.439999999999998 111.097 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -120.94 114.07 21.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 53.409999999999997 110.865 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -118.84 136.18 54.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 74.439999999999998 110.839 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.07 132.98 54.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 75.310000000000002 110.903 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . 0.6 ' O ' HD22 ' H' ' 17' ' ' LEU . 4.3 tttp -123.87 115.57 21.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 62.119999999999997 110.912 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.644 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.5 mm? -128.23 101.59 6.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 75.120000000000005 110.94 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.858 HG12 ' HB2' ' H' ' 21' ' ' ALA . 1.2 t -111.09 114.59 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 52.520000000000003 111.141 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.468 ' HD2' HD12 ' I' ' 34' ' ' LEU . 3.0 m-85 -108.22 136.32 48.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 75.109999999999999 110.906 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . 0.644 ' HE1' HG22 ' H' ' 31' ' ' ILE . 20.0 m-85 59.76 36.84 22.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 72.109999999999999 110.857 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . 0.858 ' HB2' HG12 ' H' ' 18' ' ' VAL . . . -89.54 127.73 35.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 73.200000000000003 111.106 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.63 80.28 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 72.400000000000006 110.889 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 6.4 p -138.65 139.68 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 74.319999999999993 111.152 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.59 -46.36 92.18 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.763 -0.732 . . . . 44.43 112.486 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.39 144.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 75.310000000000002 110.877 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . 0.437 ' OD1' HG21 ' H' ' 31' ' ' ILE . 53.5 m-20 -100.26 103.22 14.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 74.430000000000007 110.917 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -113.81 160.81 18.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 75.540000000000006 110.935 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.34 -137.07 34.54 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.725 -0.75 . . . . 44.350000000000001 112.438 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . 0.594 ' HB2' ' CD1' ' C' ' 4' ' ' PHE . . . -90.68 112.73 24.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.753 0.311 . . . . 51.450000000000003 111.113 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.644 HG22 ' HE1' ' H' ' 20' ' ' PHE . 0.4 OUTLIER -128.06 125.64 64.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 74.239999999999995 111.186 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . 0.464 HG21 ' HG3' ' H' ' 35' ' ' MET . 7.9 mt -130.7 118.64 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 60.439999999999998 111.12 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.6 -57.81 9.02 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.737 -0.744 . . . . 74.299999999999997 112.468 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.856 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -153.58 149.89 28.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 73.310000000000002 110.913 -179.888 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . 0.464 ' HG3' HG21 ' H' ' 32' ' ' ILE . 8.3 mtp -129.08 122.02 29.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 74.109999999999999 110.872 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 1.024 HG11 HG11 ' C' ' 36' ' ' VAL . 40.1 t -123.9 111.57 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 53.340000000000003 111.159 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.33 30.29 18.11 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.716 -0.754 . . . . 54.140000000000001 112.464 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.48 -163.74 28.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.675 -0.774 . . . . 54.030000000000001 112.484 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.765 HG23 HG13 ' G' ' 39' ' ' VAL . 8.3 p -162.43 145.35 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 75.540000000000006 111.094 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . 0.582 ' CG2' HG12 ' G' ' 40' ' ' VAL . 29.4 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 73.340000000000003 111.169 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.798 0.332 . . . . 61.530000000000001 110.889 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.0 88.26 4.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 61.140000000000001 111.061 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -51.5 -31.74 24.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 73.299999999999997 110.878 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 4' ' ' PHE . . . . . 0.512 ' CD1' ' HB2' ' D' ' 30' ' ' ALA . 1.3 t80 -168.3 124.19 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 75.030000000000001 110.875 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -127.42 108.11 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 72.310000000000002 110.873 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -105.98 108.59 20.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 71.030000000000001 110.85 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -114.15 101.92 9.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 72.140000000000001 110.859 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 83.7 p -144.34 173.93 11.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 43.32 110.851 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.72 -22.24 5.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.706 -0.759 . . . . 70.040000000000006 112.483 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -152.1 99.24 2.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.85 0.357 . . . . 72.519999999999996 110.908 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.72 120.28 39.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 54.32 110.867 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 86.3 t -137.19 114.29 12.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 63.25 111.107 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -119.9 114.61 22.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 61.399999999999999 110.844 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -117.81 136.81 53.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 62.509999999999998 110.903 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.8 133.37 52.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 75.099999999999994 110.904 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . 0.669 ' O ' HD22 ' I' ' 17' ' ' LEU . 4.2 tttp -122.67 115.41 22.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 62.509999999999998 110.899 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.669 HD22 ' O ' ' I' ' 16' ' ' LYS . 4.6 mm? -130.34 101.02 5.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 70.510000000000005 110.896 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . 0.84 HG12 ' HB2' ' I' ' 21' ' ' ALA . 0.7 OUTLIER -111.89 117.23 54.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 73.150000000000006 111.14 179.825 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . 0.462 ' HD2' HD12 ' J' ' 34' ' ' LEU . 2.0 m-85 -109.23 136.54 48.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 75.519999999999996 110.885 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . 0.565 ' HE1' HG22 ' I' ' 31' ' ' ILE . 18.6 m-85 58.46 35.68 24.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 74.519999999999996 110.891 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . 0.84 ' HB2' HG12 ' I' ' 18' ' ' VAL . . . -90.21 127.47 36.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 65.439999999999998 111.085 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.54 81.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 72.230000000000004 110.838 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 p -138.83 139.23 41.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 40.32 111.161 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.23 -45.72 92.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.716 -0.754 . . . . 64.209999999999994 112.443 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.4 143.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.383 . . . . 61.32 110.866 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . 0.414 ' HB3' HD13 ' I' ' 31' ' ' ILE . 55.2 m-20 -100.07 101.43 12.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 74.420000000000002 110.866 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -114.02 161.19 18.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 75.420000000000002 110.921 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.49 -138.07 37.45 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.729 -0.748 . . . . 54.530000000000001 112.512 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.613 ' HB2' ' CD1' ' D' ' 4' ' ' PHE . . . -91.3 112.89 24.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.733 0.302 . . . . 74.200000000000003 111.126 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.565 HG22 ' HE1' ' I' ' 20' ' ' PHE . 0.4 OUTLIER -128.94 126.44 64.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 74.540000000000006 111.145 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . 0.539 HG21 ' HG3' ' I' ' 35' ' ' MET . 7.6 mt -129.71 119.06 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 72.239999999999995 111.089 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.03 -59.12 7.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 72.329999999999998 112.525 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.863 HD22 ' O ' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -151.91 147.61 26.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.77 0.319 . . . . 75.200000000000003 110.962 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . 0.539 ' HG3' HG21 ' I' ' 32' ' ' ILE . 9.1 mtp -129.05 122.05 29.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 74.329999999999998 110.917 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 1.028 HG11 HG11 ' D' ' 36' ' ' VAL . 39.6 t -126.13 111.37 26.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.437 . . . . 63.109999999999999 111.131 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.33 29.52 23.03 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 63.340000000000003 112.499 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.83 -163.46 28.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.73 . . . . 52.219999999999999 112.53 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 0.763 HG13 HG23 ' J' ' 39' ' ' VAL . 10.5 p -162.15 145.42 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.362 . . . . 54.520000000000003 111.143 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . 0.569 HG22 HG12 ' H' ' 40' ' ' VAL . 29.0 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 71.030000000000001 111.129 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.819 0.342 . . . . 63.009999999999998 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.07 88.94 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 64.049999999999997 111.098 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -51.53 -32.51 28.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 64.239999999999995 110.887 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 4' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' E' ' 30' ' ' ALA . 1.1 t80 -168.03 125.12 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 64.349999999999994 110.819 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -127.88 108.5 10.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 72.329999999999998 110.854 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -106.87 108.75 20.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 73.140000000000001 110.858 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -115.03 102.07 9.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 72.019999999999996 110.916 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 83.7 p -145.32 170.76 15.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 71.109999999999999 110.888 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.12 -21.35 6.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.76 . . . . 75.120000000000005 112.51 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -151.36 97.64 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 62.409999999999997 110.918 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -99.98 119.96 39.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.506 . . . . 65.540000000000006 110.853 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 87.2 t -137.65 114.29 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 75.239999999999995 111.121 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -118.79 113.71 21.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 64.239999999999995 110.848 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -117.99 135.35 54.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 63.140000000000001 110.844 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.51 138.13 52.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 74.510000000000005 110.883 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . 0.681 ' O ' HD22 ' J' ' 17' ' ' LEU . 4.2 tttp -124.02 114.84 20.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 61.32 110.916 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.681 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.6 mm? -130.37 100.9 5.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 74.510000000000005 110.904 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.758 HG12 ' HB2' ' J' ' 21' ' ' ALA . 0.2 OUTLIER -110.79 121.17 63.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 61.229999999999997 111.121 179.836 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.442 ' HE1' HD12 ' J' ' 17' ' ' LEU . 1.6 m-85 -111.94 136.03 51.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 73.219999999999999 110.905 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . 0.478 ' HE1' HG22 ' J' ' 31' ' ' ILE . 20.3 m-85 55.57 35.23 24.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 73.209999999999994 110.89 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . 0.758 ' HB2' HG12 ' J' ' 18' ' ' VAL . . . -92.02 129.99 37.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 74.310000000000002 111.072 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 57.21 81.76 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 73.340000000000003 110.842 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.434 HG22 ' H ' ' J' ' 26' ' ' SER . 5.6 p -139.03 137.63 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 62.439999999999998 111.143 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.89 -44.45 92.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.791 -0.718 . . . . 71.049999999999997 112.486 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . 0.434 ' H ' HG22 ' J' ' 24' ' ' VAL . 0.4 OUTLIER -179.2 139.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 72.030000000000001 110.885 -179.753 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -98.94 99.36 10.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 70.430000000000007 110.901 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -114.86 163.54 15.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 74.409999999999997 110.861 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.22 -140.02 36.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.786 -0.721 . . . . 72.319999999999993 112.435 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 0.644 ' HB2' ' CD1' ' E' ' 4' ' ' PHE . . . -91.73 112.81 24.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.748 0.309 . . . . 73.030000000000001 111.08 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.478 HG22 ' HE1' ' J' ' 20' ' ' PHE . 0.4 OUTLIER -128.63 127.21 66.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 73.049999999999997 111.114 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . 0.625 HG21 ' HG3' ' J' ' 35' ' ' MET . 7.9 mt -126.87 117.87 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.099999999999994 111.153 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . 0.48 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -50.48 -56.71 12.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 63.210000000000001 112.452 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.828 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -152.36 149.68 28.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.839 0.352 . . . . 62.399999999999999 110.886 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . 0.625 ' HG3' HG21 ' J' ' 32' ' ' ILE . 10.6 mtp -132.55 120.37 21.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 73.310000000000002 110.839 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.952 HG11 HG11 ' E' ' 36' ' ' VAL . 35.2 t -129.35 110.38 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 74.200000000000003 111.175 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.23 31.21 26.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 65.439999999999998 112.502 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.52 -162.9 25.28 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.719 -0.753 . . . . 73.420000000000002 112.474 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.763 HG23 HG13 ' I' ' 39' ' ' VAL . 13.9 p -161.54 147.08 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 60.350000000000001 111.168 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.449 HG22 HG12 ' I' ' 40' ' ' VAL . 29.1 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 72.439999999999998 111.114 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.782 0.325 . . . . 72.150000000000006 110.866 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.24 82.89 2.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 75.519999999999996 111.116 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -53.14 -48.17 68.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 64.530000000000001 110.924 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -147.9 115.45 6.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 71.109999999999999 110.883 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -133.33 109.01 9.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 70.450000000000003 110.872 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -104.61 109.96 22.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 72.420000000000002 110.825 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -111.13 102.24 10.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 74.230000000000004 110.9 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 t -148.91 174.53 12.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 74.310000000000002 110.821 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.42 -7.4 30.27 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.702 -0.761 . . . . 74.230000000000004 112.496 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . 0.434 ' HD1' HG23 ' A' ' 12' ' ' VAL . 1.3 t80 -171.54 112.1 0.33 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.807 0.337 . . . . 73.439999999999998 110.929 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -104.84 119.66 39.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 64.519999999999996 110.872 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.434 HG23 ' HD1' ' A' ' 10' ' ' TYR . 62.0 t -133.36 113.57 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 61.310000000000002 111.123 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.1 m170 -120.24 113.76 20.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 64.319999999999993 110.846 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -124.75 133.14 53.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 63.310000000000002 110.852 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.05 132.98 55.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 74.140000000000001 110.944 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.566 ' C ' HD22 ' A' ' 17' ' ' LEU . 5.3 tttp -130.04 115.91 17.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 70.510000000000005 110.899 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.729 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.5 mm? -126.71 101.05 6.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 63.009999999999998 110.938 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.1 t -108.88 114.54 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 74.25 111.146 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.64 ' CZ ' HD12 ' A' ' 17' ' ' LEU . 8.5 m-85 -117.75 109.87 17.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 73.329999999999998 110.869 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 60.38 78.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 72.200000000000003 110.938 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.52 118.55 32.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 74.450000000000003 111.141 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 64.09 107.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 74.310000000000002 110.892 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.736 HG11 ' OD1' ' A' ' 27' ' ' ASN . 92.9 t -124.38 126.19 71.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 63.149999999999999 111.12 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.22 -51.85 56.3 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 54.420000000000002 112.493 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -149.61 121.42 8.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 73.439999999999998 110.871 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.736 ' OD1' HG11 ' A' ' 24' ' ' VAL . 16.6 m-20 -94.94 101.82 13.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 74.049999999999997 110.853 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . 0.597 ' O ' HD11 ' A' ' 31' ' ' ILE . 4.0 tptp -115.88 133.97 55.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 73.25 110.875 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.2 -143.18 28.23 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 61.200000000000003 112.505 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.613 ' C ' HD13 ' A' ' 31' ' ' ILE . . . -84.11 115.28 22.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.758 0.313 . . . . 74.109999999999999 111.128 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.625 HG21 ' OD1' ' A' ' 27' ' ' ASN . 2.7 mm -120.56 110.54 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 71.5 111.103 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.8 mt -130.05 118.85 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 73.450000000000003 111.136 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.11 -44.39 42.4 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.776 -0.726 . . . . 43.409999999999997 112.509 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 1.041 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -171.95 151.81 2.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.784 0.326 . . . . 73.200000000000003 110.895 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.886 ' N ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -114.34 119.86 38.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 74.430000000000007 110.91 179.787 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 36' ' ' VAL . 4.2 p -136.31 117.76 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 71.120000000000005 111.138 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.53 15.8 47.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 40.210000000000001 112.477 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.72 -168.17 15.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.729 . . . . 73.219999999999999 112.536 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.652 ' O ' HG23 ' B' ' 39' ' ' VAL . 4.0 p -168.86 130.83 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.887 0.375 . . . . 74.109999999999999 111.152 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.678 ' HA ' HG22 ' B' ' 40' ' ' VAL . 36.0 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 65.310000000000002 111.141 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.849 0.357 . . . . 73.040000000000006 110.88 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.72 82.51 2.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 54.119999999999997 111.131 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -52.79 -47.42 67.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 73.409999999999997 110.853 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.24 115.1 6.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 71.239999999999995 110.884 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -131.27 109.03 10.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 74.049999999999997 110.917 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -103.75 109.1 20.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 72.420000000000002 110.891 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -111.6 102.05 10.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 72.129999999999995 110.831 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 7.0 t -148.35 174.52 11.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 75.129999999999995 110.851 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.31 -8.49 30.98 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.788 -0.72 . . . . 50.200000000000003 112.489 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.409 ' HD1' HG23 ' B' ' 12' ' ' VAL . 1.5 t80 -172.39 112.35 0.27 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 72.019999999999996 110.927 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -104.32 119.65 39.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 64.450000000000003 110.894 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.409 HG23 ' HD1' ' B' ' 10' ' ' TYR . 61.2 t -130.57 113.66 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 53.219999999999999 111.148 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -120.83 113.94 20.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 71.120000000000005 110.894 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -125.89 134.15 51.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 72.209999999999994 110.846 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.88 133.03 55.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 75.519999999999996 110.921 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.627 ' C ' HD22 ' B' ' 17' ' ' LEU . 5.4 tttp -125.54 117.16 22.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 61.350000000000001 110.886 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.799 ' HB2' HD13 ' C' ' 17' ' ' LEU . 4.4 mm? -126.63 102.06 6.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 74.420000000000002 110.935 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 89.3 t -108.63 112.95 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 64.219999999999999 111.115 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.621 ' CZ ' HD12 ' B' ' 17' ' ' LEU . 6.9 m-85 -118.25 105.97 12.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 72.230000000000004 110.858 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.569 ' CZ ' HG22 ' A' ' 31' ' ' ILE . 3.9 m-30 60.12 80.65 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 74.209999999999994 110.89 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.67 116.92 29.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 65.109999999999999 111.092 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 64.4 108.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 60.119999999999997 110.87 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.72 HG11 ' OD1' ' B' ' 27' ' ' ASN . 87.8 t -125.19 125.58 69.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 63.119999999999997 111.167 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.55 -51.26 58.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 64.349999999999994 112.487 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -148.93 122.72 9.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.91 0.385 . . . . 51.340000000000003 110.845 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.72 ' OD1' HG11 ' B' ' 24' ' ' VAL . 14.8 m-20 -94.79 100.68 12.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 75.25 110.879 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . 0.563 ' O ' HD11 ' B' ' 31' ' ' ILE . 4.4 tptp -117.94 135.76 53.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 72.030000000000001 110.859 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.05 -142.15 27.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.778 -0.725 . . . . 70.109999999999999 112.484 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.582 ' C ' HD13 ' B' ' 31' ' ' ILE . . . -83.67 114.48 21.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.742 0.306 . . . . 34.200000000000003 111.131 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.626 HG21 ' OD1' ' B' ' 27' ' ' ASN . 2.8 mm -119.08 107.67 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 74.349999999999994 111.187 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 32.4 mt -127.9 119.7 52.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 64.340000000000003 111.107 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.52 -43.84 53.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 41.020000000000003 112.512 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 1.008 HD13 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -171.85 150.28 2.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.845 0.355 . . . . 74.040000000000006 110.892 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.85 ' N ' HD22 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -114.06 116.16 28.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 74.019999999999996 110.894 179.798 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.45 HG13 ' HA ' ' C' ' 36' ' ' VAL . 4.0 p -136.57 117.8 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 53.439999999999998 111.112 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.06 17.0 43.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 62.399999999999999 112.525 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.24 -170.03 16.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.715 -0.755 . . . . 64.120000000000005 112.491 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.694 ' O ' HG23 ' C' ' 39' ' ' VAL . 3.8 p -169.14 131.17 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.892 0.377 . . . . 71.129999999999995 111.103 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.704 ' HA ' HG22 ' C' ' 40' ' ' VAL . 30.1 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 73.420000000000002 111.137 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.837 0.351 . . . . 64.310000000000002 110.855 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.01 82.06 2.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 63.539999999999999 111.088 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -53.1 -46.75 68.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 73.129999999999995 110.857 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.58 114.73 6.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 72.319999999999993 110.912 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -131.73 109.03 9.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 73.140000000000001 110.875 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -103.89 108.9 20.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 64.019999999999996 110.816 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -111.96 102.05 10.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 64.010000000000005 110.837 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 6.9 t -146.91 174.35 11.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 72.530000000000001 110.897 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.65 -8.99 31.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.718 -0.754 . . . . 63.210000000000001 112.496 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.61 112.53 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 75.439999999999998 110.895 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -104.84 119.83 39.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 75.129999999999995 110.858 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 55.4 t -129.98 113.53 26.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 63.439999999999998 111.113 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -120.46 113.39 20.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 72.120000000000005 110.846 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -125.63 134.01 52.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 45.43 110.844 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.83 133.59 54.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 73.200000000000003 110.887 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.618 ' C ' HD22 ' C' ' 17' ' ' LEU . 5.5 tttp -123.51 116.63 23.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 70.420000000000002 110.941 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.799 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.4 mm? -126.94 101.1 6.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 64.310000000000002 110.909 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 86.9 t -108.89 112.44 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 74.140000000000001 111.139 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.632 ' CZ ' HD12 ' C' ' 17' ' ' LEU . 5.7 m-85 -116.68 106.3 13.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 73.329999999999998 110.907 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.608 ' CZ ' HG22 ' B' ' 31' ' ' ILE . 4.0 m-30 59.82 81.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.109999999999999 110.865 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.04 115.77 28.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 51.32 111.111 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.29 108.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 64.219999999999999 110.881 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.717 HG11 ' OD1' ' C' ' 27' ' ' ASN . 94.3 t -125.02 125.4 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 71.109999999999999 111.11 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.73 -50.57 62.87 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.776 -0.726 . . . . 74.230000000000004 112.495 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -149.2 122.7 9.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.886 0.374 . . . . 71.030000000000001 110.867 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.717 ' OD1' HG11 ' C' ' 24' ' ' VAL . 15.0 m-20 -94.39 100.49 12.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 62.140000000000001 110.91 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . 0.528 ' O ' HD11 ' C' ' 31' ' ' ILE . 4.6 tptp -119.23 136.76 54.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 74.209999999999994 110.869 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.32 -142.01 26.61 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.766 -0.731 . . . . 55.109999999999999 112.505 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.556 ' C ' HD13 ' C' ' 31' ' ' ILE . . . -82.95 113.74 20.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.795 0.331 . . . . 71.129999999999995 111.082 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.609 HG22 ' CZ ' ' D' ' 20' ' ' PHE . 3.0 mm -118.06 106.98 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 62.420000000000002 111.194 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 25.7 mt -127.64 119.74 52.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 74.140000000000001 111.128 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.85 -44.72 55.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 34.43 112.485 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.946 HD13 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -170.76 149.17 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.853 0.358 . . . . 72.400000000000006 110.899 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.801 ' N ' HD22 ' C' ' 34' ' ' LEU . 0.0 OUTLIER -115.17 114.1 24.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 72.400000000000006 110.895 179.851 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.589 HG12 HD21 ' C' ' 34' ' ' LEU . 4.6 p -135.64 117.32 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 74.439999999999998 111.119 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.76 17.7 43.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 54.409999999999997 112.468 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.08 -170.57 17.06 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 50.130000000000003 112.483 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.694 HG23 ' O ' ' B' ' 39' ' ' VAL . 3.4 p -169.58 131.06 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.856 0.36 . . . . 62.219999999999999 111.113 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.704 HG22 ' HA ' ' B' ' 40' ' ' VAL . 27.3 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 73.540000000000006 111.159 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.875 0.369 . . . . 74.549999999999997 110.855 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.86 81.73 2.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 75.340000000000003 111.143 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.63 -45.21 66.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 53.530000000000001 110.865 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.11 114.84 6.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 72.450000000000003 110.865 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -131.62 109.09 9.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 75.310000000000002 110.852 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -104.28 108.71 20.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 75.340000000000003 110.839 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -112.55 102.22 10.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 74.549999999999997 110.906 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t -146.24 173.66 12.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 75.340000000000003 110.848 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.81 -8.66 31.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.755 -0.735 . . . . 72.230000000000004 112.488 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.3 111.26 0.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.851 0.358 . . . . 73.439999999999998 110.951 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -104.61 119.85 39.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 74.099999999999994 110.87 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 56.3 t -130.43 113.3 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 60.5 111.134 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -120.88 113.04 19.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 73.129999999999995 110.881 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -126.36 132.82 51.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 75.439999999999998 110.876 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.95 135.0 54.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 75.349999999999994 110.927 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . 0.603 ' C ' HD22 ' D' ' 17' ' ' LEU . 5.4 tttp -122.39 117.29 25.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 42.039999999999999 110.9 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.719 HD13 ' HB2' ' C' ' 17' ' ' LEU . 4.6 mm? -127.99 100.71 6.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 70.019999999999996 110.913 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 87.8 t -108.59 113.58 44.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 73.0 111.117 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.616 ' CZ ' HD12 ' D' ' 17' ' ' LEU . 5.2 m-85 -115.52 106.94 14.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 64.040000000000006 110.882 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.609 ' CZ ' HG22 ' C' ' 31' ' ' ILE . 4.0 m-30 59.69 81.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 74.010000000000005 110.852 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.11 115.45 27.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 72.510000000000005 111.08 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.42 108.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 74.200000000000003 110.867 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.699 HG11 ' OD1' ' D' ' 27' ' ' ASN . 92.5 t -125.28 124.43 67.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 53.439999999999998 111.105 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.38 -50.35 63.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.694 -0.765 . . . . 50.039999999999999 112.528 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -149.71 123.12 9.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 50.240000000000002 110.875 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.699 ' OD1' HG11 ' D' ' 24' ' ' VAL . 14.0 m-20 -93.67 100.0 12.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 53.450000000000003 110.91 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . 0.487 ' O ' HD11 ' D' ' 31' ' ' ILE . 4.3 tptp -120.1 138.2 53.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 74.450000000000003 110.939 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.62 -141.31 25.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.747 . . . . 43.229999999999997 112.469 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.505 ' HA ' ' HB3' ' E' ' 30' ' ' ALA . . . -82.79 113.34 20.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.753 0.311 . . . . 63.119999999999997 111.117 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.615 HG22 ' CZ ' ' E' ' 20' ' ' PHE . 4.9 mm -117.19 107.62 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 73.310000000000002 111.148 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 25.6 mt -127.84 118.17 48.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 61.140000000000001 111.152 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.09 -45.29 51.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.74 . . . . 61.399999999999999 112.488 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.887 HD13 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -170.83 146.26 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 75.140000000000001 110.921 -179.846 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.722 ' N ' HD22 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -116.36 113.83 23.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 72.530000000000001 110.873 179.816 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.745 HG12 HD21 ' D' ' 34' ' ' LEU . 3.4 p -135.24 115.64 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 73.340000000000003 111.161 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.61 18.15 43.84 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.784 -0.722 . . . . 72.310000000000002 112.504 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.33 -169.54 18.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.788 -0.72 . . . . 75.409999999999997 112.543 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.686 HG23 ' O ' ' C' ' 39' ' ' VAL . 3.4 p -168.87 131.03 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 74.430000000000007 111.121 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.697 HG22 ' HA ' ' C' ' 40' ' ' VAL . 32.9 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 72.349999999999994 111.155 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.836 0.35 . . . . 73.540000000000006 110.842 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.16 82.67 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 62.039999999999999 111.075 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -51.67 -45.75 63.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 73.310000000000002 110.861 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -146.21 115.75 7.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 74.400000000000006 110.871 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -128.95 109.1 10.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 74.409999999999997 110.876 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -103.83 108.74 20.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 72.450000000000003 110.887 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -113.03 102.18 10.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 72.540000000000006 110.839 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 7.0 t -147.32 171.13 15.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 53.310000000000002 110.867 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.09 -8.19 34.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 75.400000000000006 112.517 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -171.85 109.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 73.310000000000002 110.932 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -105.46 120.13 40.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 74.239999999999995 110.843 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 55.4 t -130.16 113.64 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 62.039999999999999 111.137 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -120.45 112.86 19.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 62.43 110.816 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -127.1 134.09 50.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 70.150000000000006 110.833 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.42 139.0 54.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 64.510000000000005 110.931 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . 0.539 ' C ' HD22 ' E' ' 17' ' ' LEU . 5.5 tttp -122.39 115.72 22.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 65.5 110.902 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.573 HD13 ' HB2' ' D' ' 17' ' ' LEU . 4.5 mm? -127.61 101.87 6.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 70.310000000000002 110.921 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 86.3 t -108.3 114.43 46.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 62.130000000000003 111.117 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.511 ' CE1' HD12 ' E' ' 17' ' ' LEU . 5.5 m-85 -114.36 105.63 13.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 71.319999999999993 110.882 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.615 ' CZ ' HG22 ' D' ' 31' ' ' ILE . 4.3 m-30 59.02 81.87 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 74.049999999999997 110.856 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.07 113.95 25.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 41.409999999999997 111.101 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 63.93 108.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 75.040000000000006 110.887 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.71 HG11 ' OD1' ' E' ' 27' ' ' ASN . 92.5 t -124.65 122.33 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 53.420000000000002 111.096 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.87 -49.63 66.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 73.430000000000007 112.502 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -151.8 121.55 7.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 41.329999999999998 110.85 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.71 ' OD1' HG11 ' E' ' 24' ' ' VAL . 12.1 m-20 -91.37 99.7 12.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 62.130000000000003 110.902 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -121.96 138.98 54.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 72.239999999999995 110.904 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.91 -139.18 21.07 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.745 -0.741 . . . . 72.239999999999995 112.445 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.505 ' HB3' ' HA ' ' D' ' 30' ' ' ALA . . . -83.34 114.44 21.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 72.340000000000003 111.093 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.442 HG21 ' ND2' ' E' ' 27' ' ' ASN . 10.7 mm -114.73 107.76 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 74.040000000000006 111.127 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 31.7 mt -125.58 114.94 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 75.400000000000006 111.102 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.52 -40.21 77.14 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 52.210000000000001 112.515 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.828 ' C ' HD22 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -171.47 149.47 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.825 0.345 . . . . 71.25 110.92 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.62 ' N ' HD22 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -125.41 115.08 19.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 53.240000000000002 110.888 179.832 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.662 HG12 HD21 ' E' ' 34' ' ' LEU . 4.4 p -141.26 114.39 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 75.340000000000003 111.161 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.74 18.91 33.72 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 71.420000000000002 112.506 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.98 -168.71 18.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 73.109999999999999 112.475 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.618 HG23 ' O ' ' D' ' 39' ' ' VAL . 3.2 p -169.06 131.95 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.879 0.371 . . . . 73.019999999999996 111.097 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.48 HG13 ' CE ' ' E' ' 35' ' ' MET . 34.5 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 72.310000000000002 111.093 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.825 0.345 . . . . 71.519999999999996 110.866 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.58 81.62 2.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 42.32 111.065 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -52.74 -47.79 67.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 74.209999999999994 110.859 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.99 115.53 6.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 74.239999999999995 110.838 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -133.02 109.26 9.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 73.340000000000003 110.876 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -104.44 110.03 22.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 75.430000000000007 110.871 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -110.71 102.48 11.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 74.439999999999998 110.809 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 6.6 t -148.76 174.14 12.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 71.219999999999999 110.868 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.38 -7.66 29.99 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 62.310000000000002 112.469 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . 0.439 ' HD1' HG23 ' F' ' 12' ' ' VAL . 1.4 t80 -171.56 112.45 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.815 0.34 . . . . 74.219999999999999 110.912 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -104.05 119.53 39.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 75.219999999999999 110.917 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.439 HG23 ' HD1' ' F' ' 10' ' ' TYR . 58.6 t -132.42 113.39 21.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 72.040000000000006 111.105 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 42.7 m170 -120.88 114.63 21.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 55.409999999999997 110.837 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -125.95 132.98 51.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 75.299999999999997 110.855 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.97 132.91 55.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 71.299999999999997 110.891 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . 0.565 ' C ' HD22 ' F' ' 17' ' ' LEU . 5.3 tttp -130.46 115.94 17.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 61.310000000000002 110.932 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.708 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.5 mm? -126.71 101.0 6.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 75.239999999999995 110.898 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.421 ' CG1' ' HB2' ' F' ' 21' ' ' ALA . 91.8 t -108.99 114.74 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 61.340000000000003 111.132 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.628 ' CZ ' HD12 ' F' ' 17' ' ' LEU . 8.6 m-85 -117.66 109.29 16.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 73.129999999999995 110.918 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 60.87 78.25 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 75.310000000000002 110.895 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . 0.421 ' HB2' ' CG1' ' F' ' 18' ' ' VAL . . . -95.28 119.32 33.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 64.5 111.117 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 64.07 107.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 73.099999999999994 110.895 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.743 HG11 ' OD1' ' F' ' 27' ' ' ASN . 99.6 t -125.0 125.47 69.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 53.229999999999997 111.135 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.9 -52.15 54.62 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 71.310000000000002 112.475 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -149.29 121.09 8.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.932 0.396 . . . . 71.349999999999994 110.87 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . 0.743 ' OD1' HG11 ' F' ' 24' ' ' VAL . 16.1 m-20 -94.54 100.68 12.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 75.200000000000003 110.897 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . 0.611 ' O ' HD11 ' F' ' 31' ' ' ILE . 5.4 tptp -114.69 134.55 54.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 70.120000000000005 110.92 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.08 -144.89 30.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 72.310000000000002 112.446 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.594 ' C ' HD13 ' F' ' 31' ' ' ILE . . . -83.54 114.73 21.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.732 0.301 . . . . 61.520000000000003 111.071 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.613 HG21 ' OD1' ' F' ' 27' ' ' ASN . 2.7 mm -119.55 112.21 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 73.239999999999995 111.108 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 38.1 mt -130.32 118.41 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.140000000000001 111.159 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.94 -44.81 41.22 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 55.439999999999998 112.469 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 1.022 HD13 ' O ' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -172.05 151.74 2.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.821 0.343 . . . . 73.230000000000004 110.962 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . 0.87 ' N ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -114.46 119.68 37.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 64.409999999999997 110.881 179.888 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.425 ' O ' HG13 ' F' ' 36' ' ' VAL . 4.0 p -135.59 117.11 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.427 . . . . 73.450000000000003 111.147 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.27 16.34 48.66 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 61.409999999999997 112.528 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.92 -171.23 16.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 53.140000000000001 112.51 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.7 ' O ' HG23 ' G' ' 39' ' ' VAL . 4.0 p -169.38 130.48 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 61.340000000000003 111.164 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.738 ' HA ' HG22 ' G' ' 40' ' ' VAL . 33.7 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 73.010000000000005 111.121 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.779 0.323 . . . . 63.299999999999997 110.887 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.43 82.03 2.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 65.200000000000003 111.091 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -52.31 -47.87 65.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 71.019999999999996 110.875 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.69 115.38 6.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 73.299999999999997 110.87 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -131.43 109.66 10.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 72.209999999999994 110.89 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -104.43 109.21 20.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 74.510000000000005 110.816 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -111.25 102.32 10.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 72.209999999999994 110.859 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t -148.29 174.32 12.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 64.409999999999997 110.859 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.38 -8.56 30.74 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 61.140000000000001 112.474 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . 0.416 ' HD1' HG23 ' G' ' 12' ' ' VAL . 1.5 t80 -172.25 112.92 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.86 0.362 . . . . 72.239999999999995 110.942 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -104.07 119.52 39.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 74.439999999999998 110.886 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . 0.416 HG23 ' HD1' ' G' ' 10' ' ' TYR . 60.2 t -129.74 113.53 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 70.239999999999995 111.13 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 39.5 m170 -121.32 114.59 21.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 70.439999999999998 110.889 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -127.2 133.56 50.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 72.019999999999996 110.834 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.36 132.87 55.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 65.219999999999999 110.907 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . 0.622 ' C ' HD22 ' G' ' 17' ' ' LEU . 5.5 tttp -125.7 117.15 22.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 73.230000000000004 110.86 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.773 ' HB2' HD13 ' H' ' 17' ' ' LEU . 4.4 mm? -126.5 101.55 6.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 75.219999999999999 110.962 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 89.2 t -108.05 113.16 43.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 71.430000000000007 111.144 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.618 ' CZ ' HD12 ' G' ' 17' ' ' LEU . 7.1 m-85 -118.28 106.36 12.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 74.140000000000001 110.864 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 0.554 ' CZ ' HG22 ' F' ' 31' ' ' ILE . 3.9 m-30 60.06 80.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 74.519999999999996 110.84 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.59 117.58 31.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 64.340000000000003 111.138 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.37 107.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 75.120000000000005 110.929 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.734 HG11 ' OD1' ' G' ' 27' ' ' ASN . 90.6 t -125.32 124.97 68.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 31.300000000000001 111.134 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.38 -51.7 56.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 75.219999999999999 112.511 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 3.4 p -148.64 121.73 8.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 74.409999999999997 110.837 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . 0.734 ' OD1' HG11 ' G' ' 24' ' ' VAL . 14.4 m-20 -94.01 99.74 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 35.229999999999997 110.88 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . 0.551 ' O ' HD11 ' G' ' 31' ' ' ILE . 5.0 tptp -116.8 136.56 52.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 73.129999999999995 110.883 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.77 -143.8 29.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 72.209999999999994 112.523 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.564 ' C ' HD13 ' G' ' 31' ' ' ILE . . . -82.9 114.25 21.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.76 0.314 . . . . 72.310000000000002 111.099 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.589 HG22 ' CZ ' ' H' ' 20' ' ' PHE . 2.8 mm -118.08 109.55 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 72.439999999999998 111.11 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 35.2 mt -128.42 119.17 49.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 75.519999999999996 111.09 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.8 -44.35 55.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.714 -0.755 . . . . 54.530000000000001 112.482 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 1.02 ' O ' HD13 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -171.56 149.9 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 60.509999999999998 110.895 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.859 ' N ' HD22 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -114.1 115.99 28.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 64.420000000000002 110.861 179.822 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.439 HG13 ' HA ' ' H' ' 36' ' ' VAL . 3.8 p -135.71 116.65 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 72.549999999999997 111.132 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.85 18.14 45.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 62.210000000000001 112.496 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.49 -171.08 16.96 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.793 -0.718 . . . . 53.229999999999997 112.508 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.7 HG23 ' O ' ' F' ' 39' ' ' VAL . 3.4 p -169.27 130.35 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 73.329999999999998 111.109 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.738 HG22 ' HA ' ' F' ' 40' ' ' VAL . 27.0 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 72.430000000000007 111.127 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.805 0.336 . . . . 63.32 110.878 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.02 81.64 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 61.049999999999997 111.111 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -52.49 -46.98 66.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 74.450000000000003 110.892 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.54 115.23 6.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 73.319999999999993 110.876 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -131.74 108.84 9.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 73.329999999999998 110.907 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -104.15 108.88 20.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 65.219999999999999 110.889 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -111.91 102.16 10.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 63.119999999999997 110.879 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 6.9 t -147.02 174.21 11.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 54.509999999999998 110.865 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.96 -9.04 30.85 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 73.510000000000005 112.511 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.32 112.12 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.868 0.366 . . . . 71.109999999999999 110.92 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -103.87 119.78 39.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 70.219999999999999 110.896 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 53.8 t -129.37 113.7 28.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 73.450000000000003 111.144 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 41.4 m170 -121.34 113.72 20.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 71.200000000000003 110.884 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -126.88 133.73 50.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 64.140000000000001 110.867 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.14 133.3 55.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 73.319999999999993 110.968 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . 0.618 ' C ' HD22 ' H' ' 17' ' ' LEU . 5.5 tttp -123.3 116.43 23.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 75.450000000000003 110.934 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.773 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.5 mm? -126.85 100.88 6.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 71.140000000000001 110.945 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 87.1 t -108.58 112.27 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 61.210000000000001 111.088 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.628 ' CZ ' HD12 ' H' ' 17' ' ' LEU . 5.6 m-85 -116.35 105.95 13.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 73.230000000000004 110.865 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . 0.589 ' CZ ' HG22 ' G' ' 31' ' ' ILE . 4.0 m-30 60.28 80.85 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 64.409999999999997 110.888 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.55 116.32 28.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 42.310000000000002 111.119 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.37 108.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 73.230000000000004 110.893 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.749 HG11 ' OD1' ' H' ' 27' ' ' ASN . 95.7 t -125.59 124.09 66.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 74.120000000000005 111.099 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.24 -51.0 59.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.751 . . . . 52.039999999999999 112.492 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -148.5 121.9 9.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.861 0.363 . . . . 74.219999999999999 110.888 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . 0.749 ' OD1' HG11 ' H' ' 24' ' ' VAL . 13.0 m-20 -94.32 99.95 12.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 70.340000000000003 110.906 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . 0.521 ' O ' HD11 ' H' ' 31' ' ' ILE . 5.1 tptp -118.28 137.71 52.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 72.040000000000006 110.88 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.94 -143.09 28.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 75.0 112.455 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . 0.531 ' C ' HD13 ' H' ' 31' ' ' ILE . . . -82.48 113.84 20.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.753 0.311 . . . . 32.509999999999998 111.09 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.602 HG22 ' CZ ' ' I' ' 20' ' ' PHE . 3.2 mm -117.32 107.81 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 73.219999999999999 111.13 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 26.5 mt -127.44 118.93 50.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 63.039999999999999 111.177 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.91 -45.4 55.96 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 53.119999999999997 112.467 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.931 ' O ' HD13 ' H' ' 34' ' ' LEU . 0.0 OUTLIER -170.29 148.63 3.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 70.349999999999994 110.907 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . 0.797 ' N ' HD22 ' H' ' 34' ' ' LEU . 0.0 OUTLIER -114.94 114.0 24.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 72.230000000000004 110.876 179.851 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.607 HG12 HD21 ' H' ' 34' ' ' LEU . 4.5 p -135.53 117.04 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 72.200000000000003 111.132 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.38 18.03 41.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 64.140000000000001 112.501 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.21 -170.9 17.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 43.439999999999998 112.486 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.693 HG23 ' O ' ' G' ' 39' ' ' VAL . 3.2 p -169.54 130.48 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 63.009999999999998 111.157 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . 0.734 HG22 ' HA ' ' G' ' 40' ' ' VAL . 23.9 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 72.099999999999994 111.155 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.812 0.339 . . . . 73.420000000000002 110.857 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.32 80.94 2.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 61.509999999999998 111.118 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -52.37 -46.68 66.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 64.129999999999995 110.913 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -147.1 115.12 6.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 74.319999999999993 110.875 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -131.85 109.34 10.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 71.420000000000002 110.827 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -104.29 108.7 20.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 55.009999999999998 110.875 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -112.4 102.28 10.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 71.319999999999993 110.89 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t -146.26 173.46 12.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 21.109999999999999 110.851 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.83 -8.59 31.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 73.510000000000005 112.496 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -172.24 111.29 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 74.140000000000001 110.92 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -103.66 119.8 39.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.065 -0.516 . . . . 75.099999999999994 110.853 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 55.1 t -129.82 113.28 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 73.040000000000006 111.113 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 41.8 m170 -121.09 113.14 19.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 75.209999999999994 110.883 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -126.06 133.26 51.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 72.430000000000007 110.888 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.88 134.15 54.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 74.150000000000006 110.929 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . 0.596 ' C ' HD22 ' I' ' 17' ' ' LEU . 5.5 tttp -122.43 116.48 24.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 71.439999999999998 110.871 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.736 HD13 ' HB2' ' H' ' 17' ' ' LEU . 4.6 mm? -128.22 100.35 5.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 73.040000000000006 110.937 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 88.1 t -108.75 113.46 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 64.200000000000003 111.122 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . 0.637 ' CZ ' HD12 ' I' ' 17' ' ' LEU . 5.1 m-85 -115.73 106.9 14.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 74.129999999999995 110.86 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . 0.602 ' CZ ' HG22 ' H' ' 31' ' ' ILE . 4.0 m-30 59.67 81.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 75.140000000000001 110.887 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.4 115.76 28.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 73.439999999999998 111.075 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 64.3 108.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 64.420000000000002 110.825 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.708 HG11 ' OD1' ' I' ' 27' ' ' ASN . 93.2 t -125.41 123.82 65.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 74.299999999999997 111.126 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.9 -50.68 61.62 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 64.409999999999997 112.436 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -149.24 122.09 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 74.530000000000001 110.846 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . 0.708 ' OD1' HG11 ' I' ' 24' ' ' VAL . 12.1 m-20 -93.72 99.32 11.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 74.319999999999993 110.903 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . 0.473 ' O ' HD11 ' I' ' 31' ' ' ILE . 4.5 tptp -119.37 138.84 52.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 63.409999999999997 110.915 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.75 -141.99 26.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 71.430000000000007 112.494 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.469 ' C ' HD13 ' I' ' 31' ' ' ILE . . . -82.7 113.77 20.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.738 0.304 . . . . 61.240000000000002 111.124 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.6 HG22 ' CZ ' ' J' ' 20' ' ' PHE . 4.8 mm -117.23 108.93 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 63.530000000000001 111.104 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 29.2 mt -127.86 118.18 48.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 64.329999999999998 111.133 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.53 -45.37 53.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 41.229999999999997 112.463 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.887 ' O ' HD13 ' I' ' 34' ' ' LEU . 0.0 OUTLIER -171.25 146.25 2.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.802 0.334 . . . . 61.329999999999998 110.927 -179.9 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . 0.725 ' N ' HD22 ' I' ' 34' ' ' LEU . 0.0 OUTLIER -116.22 113.34 22.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 74.540000000000006 110.905 179.838 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.786 HG12 HD21 ' I' ' 34' ' ' LEU . 3.4 p -135.43 115.29 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 62.149999999999999 111.147 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.09 17.37 44.57 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.753 -0.736 . . . . 73.010000000000005 112.478 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.58 -170.16 19.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 5.4299999999999997 112.482 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 0.689 HG23 ' O ' ' H' ' 39' ' ' VAL . 3.2 p -169.18 130.88 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.356 . . . . 71.400000000000006 111.141 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . 0.709 HG22 ' HA ' ' H' ' 40' ' ' VAL . 33.0 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 51.420000000000002 111.161 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.828 0.346 . . . . 74.310000000000002 110.908 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.1 82.67 2.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 75.420000000000002 111.068 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -51.96 -47.14 64.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 73.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.68 115.76 6.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 71.319999999999993 110.852 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -129.36 109.16 10.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 73.230000000000004 110.875 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -102.9 108.77 20.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.209999999999994 110.868 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -113.03 102.19 10.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 62.240000000000002 110.871 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 7.3 t -147.56 170.73 16.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.450000000000003 110.88 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.15 -7.92 34.56 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 54.43 112.462 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -171.7 109.3 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.859 0.362 . . . . 75.049999999999997 110.918 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -104.95 120.05 40.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 44.210000000000001 110.907 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 54.6 t -129.67 113.83 28.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 74.120000000000005 111.122 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 43.3 m170 -120.32 112.92 19.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 71.450000000000003 110.852 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -127.36 133.95 50.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 74.299999999999997 110.828 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.7 139.09 54.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 71.439999999999998 110.893 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . 0.537 ' C ' HD22 ' J' ' 17' ' ' LEU . 5.5 tttp -122.86 115.69 22.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 73.519999999999996 110.887 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.569 HD13 ' HB2' ' I' ' 17' ' ' LEU . 4.4 mm? -128.1 101.57 6.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 60.149999999999999 110.917 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.4 ' CG1' ' HB2' ' J' ' 21' ' ' ALA . 85.7 t -108.06 114.49 46.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 73.129999999999995 111.154 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.518 ' CE1' HD12 ' J' ' 17' ' ' LEU . 5.6 m-85 -114.6 105.43 13.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.430000000000007 110.894 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . 0.6 ' CZ ' HG22 ' I' ' 31' ' ' ILE . 4.1 m-30 59.01 81.24 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 73.010000000000005 110.948 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . 0.4 ' HB2' ' CG1' ' J' ' 18' ' ' VAL . . . -94.88 114.36 26.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 75.239999999999995 111.092 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 63.6 108.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 55.229999999999997 110.89 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.712 HG11 ' OD1' ' J' ' 27' ' ' ASN . 90.6 t -124.71 122.2 63.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 72.400000000000006 111.166 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.82 -49.94 64.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 42.240000000000002 112.514 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -151.17 121.36 7.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.929 0.395 . . . . 74.340000000000003 110.836 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . 0.712 ' OD1' HG11 ' J' ' 24' ' ' VAL . 11.5 m-20 -91.85 98.95 11.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 62.119999999999997 110.851 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 tptp -120.6 140.09 52.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 75.109999999999999 110.915 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.01 -140.36 23.03 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 63.299999999999997 112.513 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 0.432 ' HB3' ' HA ' ' I' ' 30' ' ' ALA . . . -83.05 114.31 21.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 71.400000000000006 111.08 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.426 HG21 ' ND2' ' J' ' 27' ' ' ASN . 10.0 mm -113.55 108.04 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 60.030000000000001 111.155 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 36.3 mt -124.57 114.42 40.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 64.340000000000003 111.114 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.16 -41.31 78.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.749 -0.738 . . . . 72.310000000000002 112.478 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.827 ' C ' HD22 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -171.34 149.15 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 63.310000000000002 110.906 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . 0.599 ' N ' HD22 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -124.96 114.83 19.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 64.099999999999994 110.89 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.671 HG12 HD21 ' J' ' 34' ' ' LEU . 4.4 p -140.89 114.28 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 75.5 111.141 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.47 19.42 33.77 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 61.420000000000002 112.508 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -112.01 -168.44 18.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 53.509999999999998 112.464 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.637 HG23 ' O ' ' I' ' 39' ' ' VAL . 3.3 p -168.88 132.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 72.239999999999995 111.12 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.503 HG22 ' HA ' ' I' ' 40' ' ' VAL . 34.2 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 74.340000000000003 111.119 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.799 0.333 . . . . 73.299999999999997 110.869 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.62 91.66 4.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 51.100000000000001 111.103 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.35 -30.21 38.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 72.120000000000005 110.945 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.657 ' CE2' ' HB2' ' F' ' 30' ' ' ALA . 0.2 OUTLIER -162.29 113.96 1.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 62.109999999999999 110.868 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -135.53 108.51 7.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 73.540000000000006 110.865 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -111.71 109.2 18.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 74.319999999999993 110.861 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -111.3 102.45 10.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 72.430000000000007 110.816 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.8 t -149.14 176.82 10.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 75.430000000000007 110.88 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.09 -19.27 9.12 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.739 -0.743 . . . . 55.030000000000001 112.426 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -156.03 110.94 2.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.825 0.345 . . . . 74.209999999999994 110.924 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -103.2 119.69 39.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 74.019999999999996 110.848 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.9 t -130.74 113.73 25.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 64.519999999999996 111.135 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -118.36 118.72 32.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 62.140000000000001 110.856 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -130.12 114.45 15.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 74.230000000000004 110.882 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.453 ' HG3' HG12 ' F' ' 39' ' ' VAL . 0.0 OUTLIER -119.34 133.48 55.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 72.530000000000001 110.875 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -133.62 115.56 14.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 73.319999999999993 110.907 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.676 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.2 mm? -113.22 109.81 19.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 65.530000000000001 110.937 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.533 ' CG1' ' HB2' ' A' ' 21' ' ' ALA . 39.6 t -105.05 111.22 33.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 73.209999999999994 111.128 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.456 ' HE1' HD12 ' A' ' 17' ' ' LEU . 13.9 m-30 -102.19 105.39 16.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 65.430000000000007 110.892 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 57.48 92.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 52.340000000000003 110.833 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.533 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . . . -114.19 137.63 51.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 55.450000000000003 111.119 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.88 86.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.415 . . . . 64.340000000000003 110.843 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.617 HG22 ' H ' ' A' ' 26' ' ' SER . 7.6 p -122.86 129.63 75.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 62.0 111.116 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.91 -35.55 40.17 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.757 -0.735 . . . . 61.240000000000002 112.505 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.617 ' H ' HG22 ' A' ' 24' ' ' VAL . 0.5 OUTLIER 179.79 138.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.907 0.384 . . . . 61.350000000000001 110.859 -179.744 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -100.2 100.03 10.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 62.409999999999997 110.908 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.95 150.27 34.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 71.439999999999998 110.891 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.85 -129.74 27.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 40.240000000000002 112.503 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.685 ' HB2' ' CE2' ' F' ' 4' ' ' PHE . . . -105.71 113.93 27.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.756 0.312 . . . . 60.450000000000003 111.09 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.499 HD13 ' N ' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -123.86 118.46 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 74.450000000000003 111.123 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mt -132.07 122.28 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.469 . . . . 73.319999999999993 111.104 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.01 -51.0 20.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 63.299999999999997 112.536 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.78 HD13 ' N ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -158.78 159.2 34.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 64.010000000000005 110.898 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.417 ' HE1' ' HA ' ' A' ' 39' ' ' VAL . 2.4 ttp -133.31 122.98 24.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 72.239999999999995 110.87 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.2 t -134.32 113.16 16.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 70.150000000000006 111.159 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.31 26.97 73.43 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.705 -0.76 . . . . 43.32 112.504 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.19 -173.82 15.18 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.776 -0.726 . . . . 74.439999999999998 112.449 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.773 HG13 HG23 ' B' ' 39' ' ' VAL . 12.5 p -164.24 151.0 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 52.409999999999997 111.141 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.72 ' HA ' HG22 ' B' ' 40' ' ' VAL . 18.1 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 73.340000000000003 111.144 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.87 0.367 . . . . 44.100000000000001 110.89 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.18 91.9 5.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 43.039999999999999 111.134 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -52.67 -28.33 21.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 62.43 110.886 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.623 ' CE2' ' HB2' ' G' ' 30' ' ' ALA . 0.3 OUTLIER -162.72 114.32 1.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 71.340000000000003 110.863 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -133.09 108.5 8.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 74.310000000000002 110.858 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 68.1 t60 -111.15 110.44 20.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 73.230000000000004 110.838 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -112.42 101.83 9.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 74.340000000000003 110.856 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' C' ' 8' ' ' SER . 7.7 t -148.14 176.4 10.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 62.200000000000003 110.843 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.35 -18.84 9.32 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.78 -0.724 . . . . 53.109999999999999 112.491 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -156.09 110.76 2.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.924 0.393 . . . . 62.210000000000001 110.942 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -101.6 119.0 38.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 73.25 110.866 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 30.3 t -129.61 114.03 29.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 64.329999999999998 111.118 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 67.1 m170 -119.51 120.18 36.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 73.120000000000005 110.895 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -128.18 116.78 20.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 73.420000000000002 110.873 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.444 ' HG3' HG12 ' G' ' 39' ' ' VAL . 0.0 OUTLIER -119.74 132.29 55.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 75.540000000000006 110.919 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -131.77 115.99 16.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 75.219999999999999 110.846 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.739 ' HB2' HD13 ' C' ' 17' ' ' LEU . 4.1 mm? -115.59 106.68 14.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 62.25 110.897 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.499 ' CG1' ' HB2' ' B' ' 21' ' ' ALA . 40.7 t -103.23 109.85 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 30.34 111.139 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.492 ' HE1' HD12 ' B' ' 17' ' ' LEU . 12.5 m-30 -102.28 101.75 12.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 73.510000000000005 110.905 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 58.62 92.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 64.239999999999995 110.871 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.499 ' HB2' ' CG1' ' B' ' 18' ' ' VAL . . . -115.01 138.66 50.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 73.239999999999995 111.127 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.14 86.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 73.329999999999998 110.868 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.618 HG22 ' H ' ' B' ' 26' ' ' SER . 7.7 p -123.8 127.77 73.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 71.129999999999995 111.1 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.37 -34.34 41.27 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 75.219999999999999 112.5 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.618 ' H ' HG22 ' B' ' 24' ' ' VAL . 0.5 OUTLIER -179.13 138.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 64.340000000000003 110.869 -179.745 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -100.96 99.56 10.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 63.009999999999998 110.889 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.45 153.58 30.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 54.229999999999997 110.939 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.65 -128.67 29.87 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 74.310000000000002 112.48 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.596 ' HB2' ' CE2' ' G' ' 4' ' ' PHE . . . -104.73 114.18 28.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 74.5 111.085 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.539 ' N ' HD13 ' B' ' 31' ' ' ILE . 0.0 OUTLIER -121.59 115.19 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 74.049999999999997 111.169 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -131.27 122.05 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 44.140000000000001 111.126 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.74 -50.47 31.49 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 75.099999999999994 112.509 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.785 ' N ' HD13 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -158.49 155.93 29.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 52.25 110.924 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttp -128.1 120.84 28.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 73.319999999999993 110.858 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 63.8 t -137.06 112.83 11.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 74.140000000000001 111.101 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.38 28.62 73.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 70.430000000000007 112.456 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.03 -174.76 15.99 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 72.129999999999995 112.472 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.852 HG13 HG23 ' C' ' 39' ' ' VAL . 14.5 p -164.69 150.03 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.907 0.385 . . . . 74.329999999999998 111.103 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.753 ' HA ' HG22 ' C' ' 40' ' ' VAL . 13.8 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 72.549999999999997 111.125 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.814 0.34 . . . . 75.329999999999998 110.88 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.81 92.03 5.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 53.030000000000001 111.105 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.67 -28.12 31.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 71.129999999999995 110.892 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . 0.629 ' CE2' ' HB2' ' H' ' 30' ' ' ALA . 0.2 OUTLIER -162.54 114.12 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 71.510000000000005 110.902 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -131.34 108.58 9.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 63.520000000000003 110.874 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -111.54 109.44 19.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 74.230000000000004 110.832 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -111.53 101.92 10.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 64.319999999999993 110.861 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' B' ' 8' ' ' SER . 7.7 t -148.58 176.02 10.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 63.200000000000003 110.873 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.66 -18.4 9.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.802 -0.713 . . . . 72.420000000000002 112.511 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -155.91 110.99 2.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.88 0.371 . . . . 65.340000000000003 110.895 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -100.97 119.12 38.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 63.530000000000001 110.898 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 30.2 t -128.17 113.91 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 70.209999999999994 111.106 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 66.6 m170 -120.28 118.56 30.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 71.200000000000003 110.841 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -127.5 117.06 21.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 61.329999999999998 110.882 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.67 131.98 55.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 74.140000000000001 110.931 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -128.86 116.28 19.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 62.329999999999998 110.879 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.739 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.3 mm? -117.95 104.96 11.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 65.549999999999997 110.952 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.463 ' CG1' ' HB2' ' C' ' 21' ' ' ALA . 41.5 t -102.71 110.06 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 72.540000000000006 111.145 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.5 ' HE1' HD12 ' C' ' 17' ' ' LEU . 10.5 m-30 -102.37 100.94 11.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 71.25 110.908 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 57.83 92.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 74.230000000000004 110.825 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 0.463 ' HB2' ' CG1' ' C' ' 18' ' ' VAL . . . -116.7 138.28 51.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 73.019999999999996 111.089 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.49 86.81 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 73.230000000000004 110.821 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.621 HG22 ' H ' ' C' ' 26' ' ' SER . 7.5 p -124.63 127.31 72.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 62.329999999999998 111.142 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.68 -34.12 35.54 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 72.530000000000001 112.467 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.621 ' H ' HG22 ' C' ' 24' ' ' VAL . 0.5 OUTLIER -178.85 138.43 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.915 0.388 . . . . 74.25 110.807 -179.766 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -101.33 99.81 10.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.511 . . . . 73.299999999999997 110.859 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.18 154.34 30.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 72.010000000000005 110.9 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.85 -128.3 28.9 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.756 . . . . 50.119999999999997 112.49 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.579 ' HB2' ' CE2' ' H' ' 4' ' ' PHE . . . -104.47 113.53 27.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.748 0.309 . . . . 74.430000000000007 111.11 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.561 HD13 ' N ' ' C' ' 31' ' ' ILE . 0.0 OUTLIER -119.79 113.09 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 60.509999999999998 111.128 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -129.72 121.74 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 60.509999999999998 111.118 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.41 ' C ' HD13 ' C' ' 34' ' ' LEU . . . -50.25 -51.23 31.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.735 . . . . 62.109999999999999 112.521 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.798 HD13 ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -156.64 154.81 30.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 54.030000000000001 110.88 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.5 ttp -127.82 119.46 25.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 63.340000000000003 110.898 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 72.7 t -137.57 112.01 9.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 75.340000000000003 111.127 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.4 30.05 75.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.707 -0.758 . . . . 72.439999999999998 112.537 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.29 -174.61 16.4 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.75 . . . . 60.109999999999999 112.507 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.866 HG13 HG23 ' D' ' 39' ' ' VAL . 14.6 p -164.42 150.24 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.922 0.391 . . . . 73.340000000000003 111.107 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.753 HG22 ' HA ' ' B' ' 40' ' ' VAL . 12.3 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 74.310000000000002 111.165 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.813 0.34 . . . . 74.349999999999994 110.874 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.91 91.95 5.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 72.319999999999993 111.11 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.92 -27.83 33.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 74.140000000000001 110.855 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 4' ' ' PHE . . . . . 0.642 ' CE2' ' HB2' ' I' ' 30' ' ' ALA . 0.2 OUTLIER -161.81 114.18 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 73.340000000000003 110.891 -179.869 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -130.4 108.32 9.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 74.5 110.913 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -112.47 108.99 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 75.040000000000006 110.869 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -110.6 101.88 10.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 73.120000000000005 110.852 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' C' ' 8' ' ' SER . 7.7 t -149.29 174.52 12.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 73.219999999999999 110.849 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.15 -17.08 10.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.785 -0.721 . . . . 60.530000000000001 112.509 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -155.77 110.39 2.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 64.230000000000004 110.911 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -100.29 119.69 38.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 73.430000000000007 110.928 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 30.2 t -127.18 114.24 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 74.299999999999997 111.158 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 66.1 m170 -121.51 117.4 26.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 72.230000000000004 110.884 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -127.39 117.68 22.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 65.030000000000001 110.853 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.0 132.44 55.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 55.509999999999998 110.943 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . 0.423 ' C ' HD22 ' D' ' 17' ' ' LEU . 12.3 tttp -127.18 115.68 19.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 72.010000000000005 110.874 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.686 HD13 ' HB2' ' C' ' 17' ' ' LEU . 4.3 mm? -120.58 103.92 9.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 72.209999999999994 110.887 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.536 ' CG1' ' HB2' ' D' ' 21' ' ' ALA . 40.0 t -102.92 112.01 34.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 61.149999999999999 111.155 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.519 ' HE1' HD12 ' D' ' 17' ' ' LEU . 9.4 m-30 -101.84 101.07 11.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 71.400000000000006 110.847 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 58.15 92.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 70.420000000000002 110.891 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . 0.536 ' HB2' ' CG1' ' D' ' 18' ' ' VAL . . . -116.79 139.52 50.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 44.409999999999997 111.082 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.82 85.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 62.119999999999997 110.872 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.602 HG22 ' H ' ' D' ' 26' ' ' SER . 7.5 p -125.39 126.7 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 73.310000000000002 111.121 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.21 -34.34 40.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 63.43 112.536 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . 0.602 ' H ' HG22 ' D' ' 24' ' ' VAL . 0.5 OUTLIER -178.99 138.46 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 74.319999999999993 110.865 -179.782 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -99.58 99.99 10.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 72.409999999999997 110.918 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.93 154.26 29.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 74.040000000000006 110.878 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.66 -128.54 29.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 65.329999999999998 112.438 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.659 ' HB2' ' CE2' ' I' ' 4' ' ' PHE . . . -104.41 113.3 26.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 51.439999999999998 111.13 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.515 ' N ' HD13 ' D' ' 31' ' ' ILE . 0.0 OUTLIER -117.56 113.5 42.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 74.430000000000007 111.109 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -129.41 121.16 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 45.109999999999999 111.13 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . 0.487 ' C ' HD13 ' D' ' 34' ' ' LEU . . . -50.65 -51.87 31.47 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 61.450000000000003 112.485 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.776 ' N ' HD13 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -155.22 153.43 30.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 63.039999999999999 110.939 -179.886 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 2.6 mtp -128.33 118.53 23.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 73.409999999999997 110.892 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 76.9 t -138.18 111.53 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 53.039999999999999 111.093 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.88 30.3 76.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 74.420000000000002 112.476 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.23 -173.91 16.75 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.682 -0.771 . . . . 74.450000000000003 112.433 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.875 HG13 HG23 ' E' ' 39' ' ' VAL . 12.9 p -163.16 150.79 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.368 . . . . 71.140000000000001 111.125 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.73 HG22 ' HA ' ' C' ' 40' ' ' VAL . 12.7 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 45.409999999999997 111.099 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.822 0.344 . . . . 72.310000000000002 110.874 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.3 91.87 5.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 54.229999999999997 111.136 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 3' ' ' GLU . . . . . 0.407 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . 1.5 mp0 -53.7 -27.77 29.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 71.299999999999997 110.89 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 4' ' ' PHE . . . . . 0.638 ' CE2' ' HB2' ' J' ' 30' ' ' ALA . 0.2 OUTLIER -160.67 115.24 2.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 65.450000000000003 110.876 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -129.14 107.67 9.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 62.219999999999999 110.859 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -112.73 108.76 17.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 74.030000000000001 110.863 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -108.68 101.1 10.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 51.43 110.877 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 7.5 t -152.34 169.79 21.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 75.349999999999994 110.865 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.54 -14.15 15.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 50.229999999999997 112.511 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -153.37 108.77 3.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.345 . . . . 73.209999999999994 110.92 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -101.1 120.81 40.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 61.030000000000001 110.874 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 30.0 t -125.4 114.34 39.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 52.549999999999997 111.137 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 64.8 m170 -122.82 115.82 22.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 70.340000000000003 110.887 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -128.5 120.39 26.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 75.310000000000002 110.828 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.74 133.61 54.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 72.420000000000002 110.934 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . 0.481 ' O ' HD22 ' E' ' 17' ' ' LEU . 11.3 tttp -125.64 115.76 20.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 71.239999999999995 110.898 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.641 HD13 ' HB2' ' D' ' 17' ' ' LEU . 4.5 mm? -123.16 104.04 8.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 70.420000000000002 110.899 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.56 ' CG1' ' HB2' ' E' ' 21' ' ' ALA . 40.1 t -102.04 114.75 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 64.439999999999998 111.111 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.466 ' HE1' HD12 ' E' ' 17' ' ' LEU . 9.3 m-30 -102.67 97.32 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 72.239999999999995 110.911 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 58.99 90.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 72.400000000000006 110.86 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . 0.56 ' HB2' ' CG1' ' E' ' 18' ' ' VAL . . . -114.99 139.59 49.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 65.0 111.13 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.67 85.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 63.329999999999998 110.856 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.584 HG22 ' H ' ' E' ' 26' ' ' SER . 7.6 p -124.11 124.58 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 72.310000000000002 111.137 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.26 -32.96 37.73 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.751 -0.738 . . . . 41.409999999999997 112.498 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . 0.584 ' H ' HG22 ' E' ' 24' ' ' VAL . 0.5 OUTLIER -179.0 136.58 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 74.510000000000005 110.909 -179.75 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.532 ' OD1' HG21 ' E' ' 24' ' ' VAL . 22.6 m-20 -98.91 99.43 10.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 72.519999999999996 110.902 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -115.91 155.07 28.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 73.400000000000006 110.892 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.13 -130.63 29.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.745 . . . . 52.32 112.481 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.652 ' HB2' ' CE2' ' J' ' 4' ' ' PHE . . . -101.82 114.64 28.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.746 0.308 . . . . 71.109999999999999 111.107 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.473 HG22 HG13 ' D' ' 31' ' ' ILE . 0.0 OUTLIER -115.46 114.2 45.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 64.409999999999997 111.13 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -129.22 117.54 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 73.150000000000006 111.076 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . 0.59 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -51.82 -48.19 51.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.673 -0.775 . . . . 74.549999999999997 112.492 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.747 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -155.22 154.04 31.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 60.130000000000003 110.921 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.401 ' H ' HD22 ' D' ' 34' ' ' LEU . 2.7 mtp -130.5 118.1 20.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 64.030000000000001 110.866 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 58.5 t -142.62 111.02 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 63.450000000000003 111.127 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.28 30.59 78.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 64.019999999999996 112.475 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.2 -173.39 16.53 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.726 . . . . 71.329999999999998 112.435 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.875 HG23 HG13 ' D' ' 39' ' ' VAL . 12.1 p -162.14 150.72 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 55.210000000000001 111.158 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.695 HG22 ' HA ' ' D' ' 40' ' ' VAL . 15.4 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 74.349999999999994 111.118 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.864 0.364 . . . . 71.340000000000003 110.862 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.83 91.55 5.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 74.030000000000001 111.088 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.59 -29.67 38.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 70.420000000000002 110.908 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 4' ' ' PHE . . . . . 0.685 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -161.32 114.18 1.9 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 74.109999999999999 110.926 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -134.1 108.73 8.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 74.209999999999994 110.867 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -111.05 109.14 19.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 54.549999999999997 110.897 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -111.21 102.27 10.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 72.239999999999995 110.866 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 7.8 t -149.51 176.54 10.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 74.530000000000001 110.892 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.4 -19.3 8.95 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 62.109999999999999 112.498 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -156.02 110.93 2.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.822 0.344 . . . . 74.430000000000007 110.969 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -102.59 119.44 38.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 71.140000000000001 110.87 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 29.8 t -129.8 114.07 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 53.530000000000001 111.163 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 66.6 m170 -117.95 118.96 33.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 73.409999999999997 110.877 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -131.46 112.91 13.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 71.439999999999998 110.86 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . 0.43 ' HG3' HG12 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -119.52 133.51 55.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 72.310000000000002 110.893 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -133.9 115.65 14.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 75.049999999999997 110.912 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.68 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.3 mm? -113.12 110.13 19.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 74.120000000000005 110.922 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.541 ' CG1' ' HB2' ' F' ' 21' ' ' ALA . 39.2 t -105.44 111.68 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 62.409999999999997 111.178 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.429 ' HD2' HD12 ' G' ' 34' ' ' LEU . 14.2 m-30 -102.17 105.71 16.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 72.129999999999995 110.911 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 57.49 92.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 72.209999999999994 110.848 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . 0.541 ' HB2' ' CG1' ' F' ' 18' ' ' VAL . . . -114.68 138.35 50.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 75.030000000000001 111.099 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.55 85.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 63.119999999999997 110.858 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.609 HG22 ' H ' ' F' ' 26' ' ' SER . 7.7 p -123.08 129.69 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 65.019999999999996 111.141 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.04 -35.92 42.1 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.724 -0.75 . . . . 34.43 112.5 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . 0.609 ' H ' HG22 ' F' ' 24' ' ' VAL . 0.5 OUTLIER 179.98 136.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.872 0.368 . . . . 63.340000000000003 110.873 -179.809 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -98.91 99.7 10.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 75.219999999999999 110.866 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.45 150.62 32.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 73.019999999999996 110.874 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.57 -131.89 29.43 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.718 -0.753 . . . . 43.530000000000001 112.517 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.657 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . . . -103.55 113.43 26.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.318 . . . . 73.019999999999996 111.134 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.497 HD13 ' N ' ' F' ' 31' ' ' ILE . 0.0 OUTLIER -123.67 119.16 56.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 65.109999999999999 111.131 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mt -132.49 122.36 47.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 72.530000000000001 111.164 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.95 -51.28 19.28 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 31.02 112.461 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.784 HD13 ' N ' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -158.85 158.86 34.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.79 0.329 . . . . 71.129999999999995 110.931 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttp -132.93 122.76 24.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 73.239999999999995 110.864 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 53.0 t -134.22 112.92 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 72.140000000000001 111.139 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.29 26.86 73.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 43.140000000000001 112.492 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.44 -173.74 15.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 64.439999999999998 112.454 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.756 HG13 HG23 ' G' ' 39' ' ' VAL . 12.1 p -164.85 151.85 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.353 . . . . 54.420000000000002 111.14 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.727 ' HA ' HG22 ' G' ' 40' ' ' VAL . 18.3 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 62.009999999999998 111.128 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.814 0.34 . . . . 73.400000000000006 110.853 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.54 91.48 5.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 61.409999999999997 111.115 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -52.7 -28.86 23.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 75.040000000000006 110.886 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 4' ' ' PHE . . . . . 0.596 ' CE2' ' HB2' ' B' ' 30' ' ' ALA . 0.3 OUTLIER -162.84 114.57 1.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 75.230000000000004 110.926 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -132.47 108.4 9.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 62.409999999999997 110.893 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -110.43 109.8 20.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 73.200000000000003 110.882 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -111.68 101.49 9.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 75.540000000000006 110.845 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' H' ' 8' ' ' SER . 7.7 t -148.37 176.25 10.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 70.319999999999993 110.838 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.57 -18.81 9.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.731 . . . . 65.340000000000003 112.536 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -156.11 110.49 2.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.862 0.363 . . . . 75.400000000000006 110.944 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -100.92 118.94 37.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 64.030000000000001 110.859 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 30.6 t -128.66 114.06 31.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 60.409999999999997 111.158 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 67.3 m170 -119.2 119.45 34.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 75.510000000000005 110.845 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -128.89 116.33 19.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 73.030000000000001 110.879 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . 0.424 ' HG3' HG12 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -120.72 132.41 55.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 75.340000000000003 110.903 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -131.8 116.31 17.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 50.350000000000001 110.882 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.715 ' HB2' HD13 ' H' ' 17' ' ' LEU . 4.1 mm? -115.47 106.99 14.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 71.439999999999998 110.934 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.506 ' CG1' ' HB2' ' G' ' 21' ' ' ALA . 41.2 t -103.55 110.35 29.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.479 . . . . 73.349999999999994 111.105 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.488 ' HE1' HD12 ' G' ' 17' ' ' LEU . 12.6 m-30 -102.32 102.21 12.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 61.219999999999999 110.87 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 58.56 92.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 71.219999999999999 110.879 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . 0.506 ' HB2' ' CG1' ' G' ' 18' ' ' VAL . . . -115.3 138.72 50.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 64.010000000000005 111.103 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.07 86.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.432 . . . . 70.25 110.86 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.619 HG22 ' H ' ' G' ' 26' ' ' SER . 7.7 p -123.7 127.62 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 73.150000000000006 111.111 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.29 -34.34 40.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 74.299999999999997 112.488 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . 0.619 ' H ' HG22 ' G' ' 24' ' ' VAL . 0.6 OUTLIER -179.05 137.45 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 54.43 110.857 -179.697 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -100.9 98.95 9.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 71.340000000000003 110.835 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.16 154.71 28.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 72.129999999999995 110.896 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.17 -129.42 31.86 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 74.040000000000006 112.488 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.623 ' HB2' ' CE2' ' B' ' 4' ' ' PHE . . . -104.02 113.84 27.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.322 . . . . 75.450000000000003 111.12 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.535 ' N ' HD13 ' G' ' 31' ' ' ILE . 0.0 OUTLIER -121.49 115.85 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 64.409999999999997 111.128 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -131.53 122.02 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 64.25 111.148 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.58 -51.08 28.93 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.715 -0.755 . . . . 44.520000000000003 112.502 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.796 ' N ' HD13 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -158.32 156.17 30.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.8 0.333 . . . . 53.340000000000003 110.921 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttp -128.43 120.73 27.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 62.32 110.895 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 66.4 t -136.79 112.26 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 73.310000000000002 111.101 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.43 28.94 73.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 34.109999999999999 112.535 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.11 -174.52 15.88 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 74.5 112.505 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.849 HG13 HG23 ' H' ' 39' ' ' VAL . 14.6 p -164.73 150.46 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.38 . . . . 74.319999999999993 111.102 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.727 HG22 ' HA ' ' F' ' 40' ' ' VAL . 13.6 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 53.509999999999998 111.103 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.856 0.36 . . . . 72.299999999999997 110.89 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.73 91.72 5.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 75.439999999999998 111.105 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.65 -29.07 36.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 65.439999999999998 110.925 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 4' ' ' PHE . . . . . 0.579 ' CE2' ' HB2' ' C' ' 30' ' ' ALA . 0.2 OUTLIER -161.85 114.75 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 74.030000000000001 110.894 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -131.45 108.56 9.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.430000000000007 110.859 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -111.34 109.28 19.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 75.319999999999993 110.851 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -111.45 101.85 10.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 70.299999999999997 110.839 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' G' ' 8' ' ' SER . 7.6 t -148.64 175.84 10.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 64.340000000000003 110.854 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.64 -18.48 9.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 32.43 112.457 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -155.99 110.75 2.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 75.329999999999998 110.965 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -100.44 118.99 37.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 71.099999999999994 110.874 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 31.1 t -127.73 114.26 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 63.140000000000001 111.137 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 66.2 m170 -120.09 118.55 30.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 71.540000000000006 110.885 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -128.28 116.75 20.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 74.219999999999999 110.822 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.02 132.28 54.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 71.25 110.932 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -129.36 116.45 19.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 52.530000000000001 110.871 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.715 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.2 mm? -117.15 105.25 12.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 64.319999999999993 110.869 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.482 ' CG1' ' HB2' ' H' ' 21' ' ' ALA . 41.7 t -102.8 110.06 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 62.509999999999998 111.098 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.526 ' HE1' HD12 ' H' ' 17' ' ' LEU . 10.9 m-30 -102.1 101.1 11.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 74.239999999999995 110.853 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 57.88 91.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 63.399999999999999 110.897 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . 0.482 ' HB2' ' CG1' ' H' ' 18' ' ' VAL . . . -116.27 138.74 51.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 64.109999999999999 111.066 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.3 86.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 73.129999999999995 110.872 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.62 HG22 ' H ' ' H' ' 26' ' ' SER . 7.5 p -124.21 126.98 73.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 64.140000000000001 111.141 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.05 -33.92 38.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.71 -0.757 . . . . 72.310000000000002 112.502 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . 0.62 ' H ' HG22 ' H' ' 24' ' ' VAL . 0.5 OUTLIER -178.6 137.39 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 44.219999999999999 110.831 -179.759 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . 0.401 ' OD1' HG21 ' H' ' 24' ' ' VAL . 11.7 m-20 -101.15 98.98 9.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 75.219999999999999 110.892 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.32 155.35 27.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 72.439999999999998 110.924 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.23 -129.0 31.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 53.240000000000002 112.495 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . 0.629 ' HB2' ' CE2' ' C' ' 4' ' ' PHE . . . -104.0 113.56 27.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.719 0.295 . . . . 72.430000000000007 111.098 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.553 HD13 ' N ' ' H' ' 31' ' ' ILE . 0.0 OUTLIER -119.43 114.0 42.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 75.450000000000003 111.104 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -130.28 121.45 51.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 65.299999999999997 111.137 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . 0.423 ' C ' HD13 ' H' ' 34' ' ' LEU . . . -50.06 -51.81 28.84 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.742 -0.742 . . . . 71.019999999999996 112.537 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.8 HD13 ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -156.46 154.84 31.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.331 . . . . 74.510000000000005 110.928 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttp -127.99 119.39 25.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 62.030000000000001 110.92 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 71.8 t -137.27 112.07 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 70.019999999999996 111.149 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.7 30.41 77.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.783 -0.722 . . . . 73.510000000000005 112.495 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.3 -174.18 16.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 61.329999999999998 112.493 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.899 HG13 HG23 ' I' ' 39' ' ' VAL . 13.2 p -164.46 151.24 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 54.140000000000001 111.169 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . 0.727 HG22 ' HA ' ' G' ' 40' ' ' VAL . 13.6 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 73.219999999999999 111.102 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.848 0.356 . . . . 74.310000000000002 110.84 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.42 91.69 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 64.299999999999997 111.048 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.47 -28.91 33.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 71.120000000000005 110.891 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 4' ' ' PHE . . . . . 0.659 ' CE2' ' HB2' ' D' ' 30' ' ' ALA . 0.2 OUTLIER -161.79 114.84 1.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 73.430000000000007 110.854 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -130.36 108.38 9.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 63.100000000000001 110.823 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -111.75 108.73 18.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 72.109999999999999 110.871 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -110.5 101.91 10.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 74.430000000000007 110.882 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' H' ' 8' ' ' SER . 7.7 t -149.41 174.49 12.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 62.549999999999997 110.857 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.82 -17.34 10.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 63.539999999999999 112.495 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -155.91 111.05 2.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.85 0.357 . . . . 72.540000000000006 110.93 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -100.42 119.81 39.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 60.340000000000003 110.867 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 31.7 t -127.12 114.26 36.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 71.549999999999997 111.124 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 65.9 m170 -121.56 117.92 27.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.168 -0.469 . . . . 73.209999999999994 110.807 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -128.72 117.74 21.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 60.350000000000001 110.839 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.11 132.06 54.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 75.25 110.9 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . 0.408 ' C ' HD22 ' I' ' 17' ' ' LEU . 12.6 tttp -127.07 116.22 20.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 72.140000000000001 110.908 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.704 HD13 ' HB2' ' H' ' 17' ' ' LEU . 4.2 mm? -119.19 104.23 10.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 73.219999999999999 110.937 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . 0.541 ' CG1' ' HB2' ' I' ' 21' ' ' ALA . 40.4 t -102.52 111.89 33.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 71.239999999999995 111.155 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . 0.49 ' HE1' HD12 ' I' ' 17' ' ' LEU . 10.0 m-30 -101.7 99.97 10.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 64.129999999999995 110.885 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 58.99 91.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 73.310000000000002 110.895 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . 0.541 ' HB2' ' CG1' ' I' ' 18' ' ' VAL . . . -117.19 139.31 50.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 71.450000000000003 111.095 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.61 86.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 73.150000000000006 110.87 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.605 HG22 ' H ' ' I' ' 26' ' ' SER . 7.1 p -126.02 126.19 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 63.520000000000003 111.129 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.89 -34.39 37.69 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.793 -0.718 . . . . 65.510000000000005 112.462 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . 0.605 ' H ' HG22 ' I' ' 24' ' ' VAL . 0.5 OUTLIER -178.37 137.77 0.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.958 0.409 . . . . 73.150000000000006 110.84 -179.742 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . 0.4 ' OD1' HG21 ' I' ' 24' ' ' VAL . 13.8 m-20 -99.59 99.4 10.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 75.230000000000004 110.928 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.51 155.36 26.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 74.230000000000004 110.863 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.97 -130.32 33.04 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 63.420000000000002 112.455 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.642 ' HB2' ' CE2' ' D' ' 4' ' ' PHE . . . -103.08 113.49 27.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.734 0.302 . . . . 75.219999999999999 111.065 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.522 ' N ' HD13 ' I' ' 31' ' ' ILE . 0.0 OUTLIER -117.31 114.47 45.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 71.219999999999999 111.111 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -129.96 121.07 51.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 62.020000000000003 111.107 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . 0.499 ' C ' HD13 ' I' ' 34' ' ' LEU . . . -50.55 -52.56 28.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 72.409999999999997 112.47 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.777 ' N ' HD13 ' I' ' 34' ' ' LEU . 0.0 OUTLIER -154.9 153.68 31.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.786 0.327 . . . . 75.129999999999995 110.949 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.6 mtp -128.64 118.63 23.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 42.420000000000002 110.917 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 73.8 t -138.49 111.12 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 62.340000000000003 111.132 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.14 30.11 76.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.78 -0.724 . . . . 71.129999999999995 112.494 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.7 -173.55 16.88 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.757 . . . . 71.319999999999993 112.514 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 0.899 HG23 HG13 ' H' ' 39' ' ' VAL . 12.2 p -163.76 151.35 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.891 0.377 . . . . 74.349999999999994 111.087 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . 0.719 HG22 ' HA ' ' H' ' 40' ' ' VAL . 14.3 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 60.210000000000001 111.122 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.821 0.343 . . . . 74.430000000000007 110.822 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.8 91.67 5.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 53.450000000000003 111.089 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.05 -29.24 28.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 72.430000000000007 110.858 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' J' J ' 4' ' ' PHE . . . . . 0.652 ' CE2' ' HB2' ' E' ' 30' ' ' ALA . 0.2 OUTLIER -161.03 115.31 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 61.530000000000001 110.926 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -129.45 108.11 10.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 74.109999999999999 110.892 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -112.79 108.59 17.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 61.399999999999999 110.9 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -108.91 101.39 10.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 72.319999999999993 110.841 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 7.7 t -151.73 169.54 21.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 62.039999999999999 110.881 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.37 -15.05 14.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.803 -0.713 . . . . 55.530000000000001 112.482 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -154.25 109.08 3.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 74.420000000000002 110.943 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -99.58 120.56 39.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 63.5 110.881 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 31.0 t -125.16 114.19 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 54.350000000000001 111.105 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -122.68 116.69 24.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 71.140000000000001 110.809 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -128.54 119.5 24.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 75.010000000000005 110.859 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.26 133.27 54.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 75.310000000000002 110.918 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . 0.448 ' O ' HD22 ' J' ' 17' ' ' LEU . 12.1 tttp -126.94 115.81 19.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 71.420000000000002 110.883 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.637 HD13 ' HB2' ' I' ' 17' ' ' LEU . 4.4 mm? -122.29 104.24 9.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 64.329999999999998 110.913 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.552 ' CG1' ' HB2' ' J' ' 21' ' ' ALA . 39.1 t -102.0 114.92 42.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 73.420000000000002 111.143 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.471 ' HE1' HD12 ' J' ' 17' ' ' LEU . 9.6 m-30 -102.75 97.18 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 71.120000000000005 110.891 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 59.39 90.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 70.340000000000003 110.862 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . 0.552 ' HB2' ' CG1' ' J' ' 18' ' ' VAL . . . -116.09 140.53 49.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 44.329999999999998 111.089 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.44 85.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 71.140000000000001 110.905 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.604 HG22 ' H ' ' J' ' 26' ' ' SER . 7.6 p -125.12 124.76 68.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 74.510000000000005 111.109 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.03 -33.27 36.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.746 . . . . 64.150000000000006 112.498 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . 0.604 ' H ' HG22 ' J' ' 24' ' ' VAL . 0.6 OUTLIER -178.94 135.89 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.872 0.367 . . . . 54.32 110.873 -179.706 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . 0.505 ' OD1' HG21 ' J' ' 24' ' ' VAL . 19.8 m-20 -97.91 99.0 10.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 61.310000000000002 110.863 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.93 155.47 26.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 74.299999999999997 110.877 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . 0.407 ' HA2' ' HA ' ' E' ' 3' ' ' GLU . . . 66.72 -132.26 31.8 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 42.450000000000003 112.442 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 0.638 ' HB2' ' CE2' ' E' ' 4' ' ' PHE . . . -100.55 114.37 27.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.752 0.31 . . . . 44.32 111.13 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.484 HG22 HG13 ' I' ' 31' ' ' ILE . 0.0 OUTLIER -115.0 115.57 49.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 73.349999999999994 111.121 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -130.04 118.32 43.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 71.450000000000003 111.152 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . 0.581 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -51.84 -49.5 47.75 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.752 . . . . 43.130000000000003 112.515 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.753 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -154.8 153.58 31.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.757 0.313 . . . . 73.129999999999995 110.969 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -130.69 117.71 19.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 74.140000000000001 110.902 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 73.9 t -143.16 111.05 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 54.210000000000001 111.086 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.61 30.29 77.06 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.721 -0.752 . . . . 74.010000000000005 112.491 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.12 -173.06 16.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.8 -0.714 . . . . 73.420000000000002 112.488 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.857 HG23 HG13 ' I' ' 39' ' ' VAL . 11.9 p -162.99 149.97 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 73.430000000000007 111.159 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.696 HG22 ' HA ' ' I' ' 40' ' ' VAL . 16.5 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 74.420000000000002 111.119 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.815 0.341 . . . . 64.200000000000003 110.889 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.32 84.46 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 25.420000000000002 111.08 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -52.99 -31.78 42.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 64.239999999999995 110.897 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.666 ' CE2' ' HB2' ' F' ' 30' ' ' ALA . 1.2 m-85 -156.4 113.16 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 71.019999999999996 110.872 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.99 108.31 6.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 73.439999999999998 110.855 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -112.43 131.22 55.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 73.530000000000001 110.872 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -135.47 101.56 4.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 74.420000000000002 110.832 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.6 m -145.35 176.44 9.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 41.149999999999999 110.852 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.35 -9.98 49.35 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.79 -0.719 . . . . 65.5 112.502 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.25 114.73 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.88 0.371 . . . . 74.019999999999996 110.956 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -97.77 120.12 37.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 61.350000000000001 110.897 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.3 t -127.13 125.33 66.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 64.150000000000006 111.156 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -137.85 118.75 14.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 70.409999999999997 110.844 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -136.08 133.34 37.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 73.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -122.9 133.31 54.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.349999999999994 110.938 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.555 ' O ' HD22 ' A' ' 17' ' ' LEU . 8.7 tptm -128.72 118.91 23.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 71.349999999999994 110.903 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.642 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.5 mm? -126.75 103.75 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 62.25 110.939 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.62 HG12 ' HB2' ' A' ' 21' ' ' ALA . 2.1 t -109.73 111.22 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 62.310000000000002 111.108 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.457 ' HE1' HD12 ' A' ' 17' ' ' LEU . 6.9 m-85 -103.32 141.12 36.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 75.310000000000002 110.901 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.705 ' HE1' HG22 ' A' ' 31' ' ' ILE . 17.2 m-85 62.64 36.18 13.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 72.519999999999996 110.898 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.62 ' HB2' HG12 ' A' ' 18' ' ' VAL . . . -87.6 125.92 34.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 54.130000000000003 111.051 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.36 72.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 62.420000000000002 110.808 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 p -139.36 139.95 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.310000000000002 111.108 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.79 -92.29 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 70.120000000000005 112.461 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.0 m -125.06 143.6 50.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 72.310000000000002 110.87 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.438 ' ND2' HG23 ' B' ' 24' ' ' VAL . 1.2 m-80 -100.13 99.48 10.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 62.549999999999997 110.91 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.39 168.59 10.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 74.340000000000003 110.866 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.31 -125.27 20.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 61.409999999999997 112.481 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.668 ' HB2' ' CE2' ' F' ' 4' ' ' PHE . . . -101.74 114.16 27.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.751 0.31 . . . . 33.43 111.108 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.709 HD12 ' O ' ' B' ' 30' ' ' ALA . 0.3 OUTLIER -129.25 117.8 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 62.25 111.124 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.649 HG21 ' HG3' ' A' ' 35' ' ' MET . 6.3 mt -133.98 119.19 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 62.119999999999997 111.111 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.01 -54.37 18.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 51.109999999999999 112.503 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.835 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -159.45 152.11 21.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.794 0.331 . . . . 71.349999999999994 110.951 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.649 ' HG3' HG21 ' A' ' 32' ' ' ILE . 10.9 mtp -134.53 127.96 32.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 63.200000000000003 110.884 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.979 HG11 HG21 ' F' ' 36' ' ' VAL . 45.2 t -130.16 119.03 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 74.420000000000002 111.142 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.31 25.21 64.5 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.711 -0.757 . . . . 65.420000000000002 112.516 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.24 157.48 22.01 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.767 -0.73 . . . . 42.409999999999997 112.512 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.659 HG22 HG12 ' B' ' 39' ' ' VAL . 12.0 m -123.8 177.74 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.842 0.353 . . . . 33.030000000000001 111.136 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.696 ' HA ' HG22 ' B' ' 40' ' ' VAL . 21.5 m . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 75.549999999999997 111.165 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.828 0.347 . . . . 65.349999999999994 110.853 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.37 84.38 2.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 64.209999999999994 111.078 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -52.54 -29.97 28.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 74.140000000000001 110.89 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.704 ' CE2' ' HB2' ' G' ' 30' ' ' ALA . 1.3 m-85 -157.74 112.24 2.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 65.519999999999996 110.905 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.43 107.38 7.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 75.420000000000002 110.885 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -112.55 130.55 55.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 70.049999999999997 110.858 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -134.99 101.49 4.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.310000000000002 110.82 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 10.5 m -144.65 176.12 9.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 75.519999999999996 110.897 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.65 -10.11 48.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.786 -0.721 . . . . 75.329999999999998 112.514 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -172.44 113.0 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 74.299999999999997 110.94 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -95.4 120.38 35.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 74.439999999999998 110.863 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 56.5 t -125.85 124.01 65.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 75.409999999999997 111.15 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -138.19 117.41 12.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 65.040000000000006 110.877 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -136.05 133.32 37.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 74.310000000000002 110.866 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -120.19 134.11 55.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 62.340000000000003 110.935 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.588 ' O ' HD22 ' B' ' 17' ' ' LEU . 8.7 tptm -124.75 118.92 27.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 73.349999999999994 110.915 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.642 HD13 ' HB2' ' A' ' 17' ' ' LEU . 4.5 mm? -127.74 103.72 7.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 74.040000000000006 110.912 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.844 HG12 ' HB2' ' B' ' 21' ' ' ALA . 1.7 t -110.76 112.99 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 72.109999999999999 111.175 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.49 ' CE1' HD12 ' B' ' 17' ' ' LEU . 4.6 m-85 -107.37 136.71 46.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 75.420000000000002 110.858 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.709 ' HE1' HG22 ' B' ' 31' ' ' ILE . 21.0 m-85 62.3 35.19 15.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 63.32 110.849 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.844 ' HB2' HG12 ' B' ' 18' ' ' VAL . . . -87.12 124.77 33.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 74.109999999999999 111.093 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.84 72.92 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 71.439999999999998 110.863 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.438 HG23 ' ND2' ' A' ' 27' ' ' ASN . 4.9 p -139.89 139.61 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 75.340000000000003 111.18 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.56 -91.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 30.309999999999999 112.53 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 27.0 m -124.12 143.6 50.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 70.25 110.83 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.438 ' ND2' HG23 ' C' ' 24' ' ' VAL . 1.3 m-80 -102.02 99.92 10.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 71.109999999999999 110.925 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.77 169.77 8.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 75.439999999999998 110.888 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.76 -126.89 26.61 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.704 -0.76 . . . . 74.329999999999998 112.481 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.709 ' O ' HD12 ' A' ' 31' ' ' ILE . . . -101.96 113.32 26.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.754 0.311 . . . . 70.319999999999993 111.09 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.719 HD12 ' O ' ' C' ' 30' ' ' ALA . 0.2 OUTLIER -127.31 116.84 45.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 74.25 111.101 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.551 HG21 ' HG3' ' B' ' 35' ' ' MET . 5.6 mt -131.42 120.19 45.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 70.510000000000005 111.143 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.53 -55.53 16.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.684 -0.77 . . . . 54.039999999999999 112.505 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.845 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -155.58 151.14 27.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 74.040000000000006 110.939 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.551 ' HG3' HG21 ' B' ' 32' ' ' ILE . 10.1 mtp -131.91 123.21 26.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 71.510000000000005 110.875 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.851 HG11 HG11 ' G' ' 36' ' ' VAL . 44.6 t -130.2 117.68 41.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 62.310000000000002 111.151 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.34 26.43 61.7 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.771 -0.728 . . . . 70.209999999999994 112.464 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.37 157.15 21.62 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 70.400000000000006 112.483 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.749 HG22 HG12 ' C' ' 39' ' ' VAL . 10.4 m -123.55 177.37 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 73.239999999999995 111.163 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.703 ' HA ' HG22 ' C' ' 40' ' ' VAL . 16.8 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 72.209999999999994 111.104 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.808 0.337 . . . . 72.329999999999998 110.875 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.15 84.03 2.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 71.329999999999998 111.135 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -53.49 -28.6 31.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 75.109999999999999 110.884 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . 0.695 ' CE2' ' HB2' ' H' ' 30' ' ' ALA . 1.4 m-85 -157.41 112.46 2.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 74.549999999999997 110.919 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.59 106.75 7.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 72.430000000000007 110.914 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -113.04 131.13 55.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 73.409999999999997 110.865 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -135.43 101.52 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 62.210000000000001 110.879 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 10.4 m -144.24 175.78 9.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 61.229999999999997 110.88 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.68 -10.11 47.89 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.788 -0.72 . . . . 61.32 112.475 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -172.39 112.72 0.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.872 0.368 . . . . 74.299999999999997 110.935 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.95 120.36 35.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 74.150000000000006 110.926 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 56.9 t -125.06 123.59 65.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 50.219999999999999 111.102 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -138.26 116.64 11.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 75.129999999999995 110.839 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -135.31 134.87 40.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 71.219999999999999 110.84 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -121.44 134.62 55.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 62.130000000000003 110.903 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.619 ' O ' HD22 ' C' ' 17' ' ' LEU . 8.5 tptm -123.15 117.88 26.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 60.299999999999997 110.896 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.638 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.6 mm? -128.91 103.25 6.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 73.140000000000001 110.893 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.855 HG12 ' HB2' ' C' ' 21' ' ' ALA . 1.4 t -112.01 114.33 46.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 74.319999999999993 111.106 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.472 ' HE1' HD12 ' C' ' 17' ' ' LEU . 3.0 m-85 -107.89 136.2 48.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 72.319999999999993 110.897 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.711 ' HE1' HG22 ' C' ' 31' ' ' ILE . 21.9 m-85 60.87 35.56 19.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 71.430000000000007 110.919 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 0.855 ' HB2' HG12 ' C' ' 18' ' ' VAL . . . -87.49 124.75 33.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 72.010000000000005 111.103 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.0 73.46 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 63.140000000000001 110.891 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.438 HG23 ' ND2' ' B' ' 27' ' ' ASN . 5.7 p -140.18 139.17 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 75.230000000000004 111.164 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.8 -91.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 64.239999999999995 112.487 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 26.7 m -123.82 143.1 50.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 40.340000000000003 110.882 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.426 ' ND2' HG23 ' D' ' 24' ' ' VAL . 1.3 m-80 -102.18 99.92 10.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.140000000000001 110.874 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.17 170.57 8.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 74.409999999999997 110.915 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.81 -127.79 28.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 73.129999999999995 112.453 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.719 ' O ' HD12 ' B' ' 31' ' ' ILE . . . -102.0 112.95 25.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.736 0.303 . . . . 60.039999999999999 111.089 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.714 HD12 ' O ' ' D' ' 30' ' ' ALA . 0.2 OUTLIER -126.63 116.29 44.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 64.319999999999993 111.12 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.575 HG21 ' HG3' ' C' ' 35' ' ' MET . 5.4 mt -130.35 119.78 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 74.340000000000003 111.099 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.87 -56.17 12.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 33.32 112.483 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.865 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -154.16 149.73 27.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.812 0.339 . . . . 73.420000000000002 110.925 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.575 ' HG3' HG21 ' C' ' 32' ' ' ILE . 10.3 mtp -130.41 122.69 28.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 72.329999999999998 110.889 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.933 HG11 HG11 ' H' ' 36' ' ' VAL . 47.5 t -131.58 117.87 36.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.267 -0.424 . . . . 73.439999999999998 111.089 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.12 27.2 57.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 53.439999999999998 112.524 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.53 157.06 21.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.742 -0.742 . . . . 72.349999999999994 112.531 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.791 HG22 HG12 ' D' ' 39' ' ' VAL . 9.0 m -123.32 177.16 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 62.119999999999997 111.17 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.728 ' HA ' HG22 ' D' ' 40' ' ' VAL . 16.7 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 74.129999999999995 111.138 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.821 0.343 . . . . 73.310000000000002 110.878 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.26 84.92 3.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 63.329999999999998 111.087 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.65 -27.47 27.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 53.329999999999998 110.855 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 4' ' ' PHE . . . . . 0.669 ' CE2' ' HB2' ' I' ' 30' ' ' ALA . 1.5 m-85 -156.92 112.82 2.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 71.319999999999993 110.887 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.56 107.18 8.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 65.230000000000004 110.905 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -114.39 131.21 56.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 70.430000000000007 110.855 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -134.67 101.57 4.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 73.409999999999997 110.858 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 10.0 m -144.39 174.67 10.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 71.239999999999995 110.853 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.02 -9.32 48.97 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.718 -0.753 . . . . 63.420000000000002 112.485 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -172.16 113.5 0.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 75.5 110.961 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.45 121.22 36.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 73.310000000000002 110.872 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 53.7 t -124.65 122.79 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 71.200000000000003 111.159 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -138.56 116.79 11.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 72.200000000000003 110.869 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -136.29 135.48 38.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 70.239999999999995 110.851 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -122.65 134.88 54.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 71.219999999999999 110.902 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . 0.657 ' O ' HD22 ' D' ' 17' ' ' LEU . 8.6 tptm -121.81 116.7 24.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 75.010000000000005 110.829 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.657 HD22 ' O ' ' D' ' 16' ' ' LYS . 4.6 mm? -130.37 103.43 6.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 71.019999999999996 110.93 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.841 HG12 ' HB2' ' D' ' 21' ' ' ALA . 0.9 OUTLIER -112.91 117.1 54.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 71.420000000000002 111.094 179.867 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.477 ' HE1' HD12 ' D' ' 17' ' ' LEU . 1.9 m-85 -108.92 136.72 48.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 64.129999999999995 110.865 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.701 ' HE1' HG22 ' D' ' 31' ' ' ILE . 19.7 m-85 59.24 34.7 23.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 53.509999999999998 110.823 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . 0.841 ' HB2' HG12 ' D' ' 18' ' ' VAL . . . -88.33 125.4 34.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 74.519999999999996 111.113 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.71 72.37 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 64.129999999999995 110.804 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.426 HG23 ' ND2' ' C' ' 27' ' ' ASN . 6.0 p -140.15 138.01 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 54.43 111.11 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.23 -91.2 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 62.340000000000003 112.502 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 26.5 m -123.72 142.75 50.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 73.420000000000002 110.901 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.432 ' N ' HD22 ' D' ' 27' ' ' ASN . 1.4 m-80 -101.96 99.75 9.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 73.209999999999994 110.924 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.69 170.83 8.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 64.310000000000002 110.937 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.07 -127.83 29.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 71.150000000000006 112.489 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.714 ' O ' HD12 ' C' ' 31' ' ' ILE . . . -102.52 112.83 25.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.714 0.292 . . . . 72.129999999999995 111.097 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.701 HG22 ' HE1' ' D' ' 20' ' ' PHE . 0.2 OUTLIER -126.99 116.69 45.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 72.319999999999993 111.145 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.671 HG21 ' HG3' ' D' ' 35' ' ' MET . 5.3 mt -129.9 119.51 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 74.420000000000002 111.118 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.65 -57.48 9.47 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 45.219999999999999 112.506 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.867 HD22 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -152.56 147.65 26.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.864 0.364 . . . . 64.430000000000007 110.898 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.671 ' HG3' HG21 ' D' ' 32' ' ' ILE . 10.8 mtp -130.99 122.41 26.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 71.010000000000005 110.874 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.898 HG11 HG11 ' I' ' 36' ' ' VAL . 48.3 t -132.58 116.39 27.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 64.120000000000005 111.142 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.53 27.51 61.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 71.129999999999995 112.498 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.88 158.4 21.39 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 70.409999999999997 112.492 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.884 HG22 HG12 ' E' ' 39' ' ' VAL . 6.4 m -122.43 177.35 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.865 0.364 . . . . 73.049999999999997 111.112 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.74 ' HA ' HG22 ' E' ' 40' ' ' VAL . 17.7 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 73.219999999999999 111.116 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.833 0.349 . . . . 75.239999999999995 110.854 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.82 84.42 3.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 53.329999999999998 111.123 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 3' ' ' GLU . . . . . 0.402 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . 1.5 mp0 -53.13 -27.92 23.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 64.019999999999996 110.895 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 4' ' ' PHE . . . . . 0.599 ' CE2' ' HB2' ' J' ' 30' ' ' ALA . 1.6 m-85 -155.56 114.01 3.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 74.430000000000007 110.913 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.89 106.57 8.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 72.439999999999998 110.849 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -116.21 131.28 56.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 75.120000000000005 110.869 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -132.86 101.11 5.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 75.109999999999999 110.905 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 9.7 m -145.44 170.86 15.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 64.439999999999998 110.876 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.78 -8.51 51.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 55.32 112.477 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -170.99 112.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 75.420000000000002 110.943 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -96.19 121.65 38.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 73.510000000000005 110.887 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -123.49 122.74 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 72.010000000000005 111.078 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -139.31 115.38 10.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 60.409999999999997 110.866 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -136.21 135.93 39.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 73.219999999999999 110.9 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -122.56 138.45 54.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 72.439999999999998 110.887 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . 0.685 ' O ' HD22 ' E' ' 17' ' ' LEU . 8.2 tptm -122.67 114.85 21.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 73.329999999999998 110.843 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.685 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.5 mm? -130.68 105.64 7.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 50.210000000000001 110.903 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.81 HG12 ' HB2' ' E' ' 21' ' ' ALA . 0.2 OUTLIER -113.39 120.19 62.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 74.129999999999995 111.123 179.799 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.5 ' HE1' HD12 ' E' ' 17' ' ' LEU . 1.7 m-85 -110.85 134.84 52.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 73.439999999999998 110.836 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.622 ' HE1' HG22 ' E' ' 31' ' ' ILE . 22.4 m-85 57.01 35.3 26.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 74.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . 0.81 ' HB2' HG12 ' E' ' 18' ' ' VAL . . . -90.6 127.17 36.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 74.540000000000006 111.117 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.99 72.56 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 73.230000000000004 110.849 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 p -140.78 136.02 34.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 74.329999999999998 111.092 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.28 -90.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 63.520000000000003 112.45 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 25.1 m -124.72 140.95 52.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.947 0.403 . . . . 70.420000000000002 110.798 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -101.32 99.71 10.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 65.010000000000005 110.857 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.59 170.8 8.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 64.230000000000004 110.909 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.71 -128.62 33.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 42.25 112.501 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.694 ' O ' HD12 ' D' ' 31' ' ' ILE . . . -103.43 113.38 26.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 61.210000000000001 111.102 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.622 HG22 ' HE1' ' E' ' 20' ' ' PHE . 0.3 OUTLIER -128.26 116.75 43.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 75.319999999999993 111.132 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.654 HG21 ' HG3' ' E' ' 35' ' ' MET . 5.2 mt -126.16 120.61 57.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 52.329999999999998 111.128 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . 0.454 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -51.47 -54.23 25.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.751 . . . . 64.129999999999995 112.516 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.813 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -152.98 150.85 29.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 71.540000000000006 110.918 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.654 ' HG3' HG21 ' E' ' 32' ' ' ILE . 10.9 mtp -134.63 120.47 19.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 64.140000000000001 110.84 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.747 HG11 HG11 ' J' ' 36' ' ' VAL . 47.1 t -134.26 115.26 20.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 65.329999999999998 111.107 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.49 27.63 54.37 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 72.120000000000005 112.538 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.05 159.99 21.25 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 75.420000000000002 112.421 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.884 HG12 HG22 ' D' ' 39' ' ' VAL . 10.8 m -123.17 178.66 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.366 . . . . 63.240000000000002 111.14 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.74 HG22 ' HA ' ' D' ' 40' ' ' VAL . 18.2 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 71.400000000000006 111.14 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.824 0.345 . . . . 61.140000000000001 110.869 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.6 83.89 3.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 41.310000000000002 111.109 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -52.31 -31.69 34.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 70.409999999999997 110.884 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 4' ' ' PHE . . . . . 0.668 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 1.5 m-85 -156.69 114.53 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 74.319999999999993 110.838 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.06 108.31 7.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 74.420000000000002 110.887 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -112.14 130.47 55.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 73.049999999999997 110.861 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -135.02 101.85 5.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 65.439999999999998 110.878 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 10.6 m -145.3 176.01 9.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 73.409999999999997 110.861 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.19 -9.9 50.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 74.230000000000004 112.49 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.23 114.74 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.878 0.37 . . . . 72.019999999999996 110.941 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -97.28 119.89 36.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 74.329999999999998 110.874 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 53.7 t -126.75 125.2 66.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 63.210000000000001 111.139 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -137.59 118.58 14.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 61.329999999999998 110.854 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -136.57 132.67 35.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 63.229999999999997 110.862 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -122.78 133.4 54.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 75.230000000000004 110.937 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . 0.572 ' O ' HD22 ' F' ' 17' ' ' LEU . 8.7 tptm -128.43 119.05 24.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 73.510000000000005 110.904 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.631 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.5 mm? -126.95 103.38 7.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 74.439999999999998 110.92 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.625 HG12 ' HB2' ' F' ' 21' ' ' ALA . 2.1 t -109.75 111.74 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 75.140000000000001 111.142 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.443 ' HE1' HD12 ' F' ' 17' ' ' LEU . 7.0 m-85 -103.47 141.15 36.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 61.329999999999998 110.896 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . 0.707 ' HE1' HG22 ' F' ' 31' ' ' ILE . 17.1 m-85 62.63 35.78 14.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 75.319999999999993 110.923 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . 0.625 ' HB2' HG12 ' F' ' 18' ' ' VAL . . . -87.42 126.97 35.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 42.119999999999997 111.103 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.26 71.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 61.549999999999997 110.9 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 p -139.27 139.77 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 52.299999999999997 111.12 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.61 -92.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 72.340000000000003 112.444 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 26.8 m -124.05 142.63 51.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.911 0.386 . . . . 64.230000000000004 110.835 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . 0.451 ' ND2' HG23 ' G' ' 24' ' ' VAL . 1.3 m-80 -98.85 99.06 10.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 74.430000000000007 110.893 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.0 168.79 9.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 74.340000000000003 110.943 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.9 -127.29 23.79 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 73.099999999999994 112.51 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.666 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . . . -100.59 114.19 27.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.719 0.295 . . . . 72.310000000000002 111.126 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.707 HG22 ' HE1' ' F' ' 20' ' ' PHE . 0.2 OUTLIER -128.16 119.01 49.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 74.420000000000002 111.144 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . 0.628 HG21 ' HG3' ' F' ' 35' ' ' MET . 6.4 mt -134.32 118.65 27.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 65.150000000000006 111.134 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.61 -54.82 15.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 54.25 112.497 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.833 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -159.24 151.93 21.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.791 0.329 . . . . 73.200000000000003 110.922 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . 0.628 ' HG3' HG21 ' F' ' 32' ' ' ILE . 11.0 mtp -134.06 127.18 31.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 70.230000000000004 110.881 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.979 HG21 HG11 ' A' ' 36' ' ' VAL . 45.8 t -129.99 119.18 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 64.400000000000006 111.135 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.58 25.57 63.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 62.100000000000001 112.499 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.89 157.03 21.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 51.200000000000003 112.501 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.655 HG22 HG12 ' G' ' 39' ' ' VAL . 11.8 m -123.58 177.46 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 73.209999999999994 111.156 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.721 ' HA ' HG22 ' G' ' 40' ' ' VAL . 20.0 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 75.349999999999994 111.147 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.816 0.341 . . . . 73.030000000000001 110.873 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.46 84.95 3.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 71.430000000000007 111.075 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -51.62 -30.6 22.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 71.239999999999995 110.904 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 4' ' ' PHE . . . . . 0.698 ' CE2' ' HB2' ' B' ' 30' ' ' ALA . 1.6 m-85 -157.46 113.94 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 73.319999999999993 110.846 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.62 107.44 7.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 73.109999999999999 110.866 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -112.17 129.95 56.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 63.329999999999998 110.862 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -134.71 101.62 5.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 74.030000000000001 110.866 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 10.4 m -144.68 175.84 9.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 72.129999999999995 110.878 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.79 -10.09 47.59 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.796 -0.716 . . . . 45.130000000000003 112.534 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -172.31 113.03 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.872 0.368 . . . . 73.540000000000006 110.924 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -94.87 120.08 34.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 52.229999999999997 110.901 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 56.6 t -125.54 123.73 65.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 75.219999999999999 111.142 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -138.29 117.85 13.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 73.420000000000002 110.835 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -136.8 133.26 35.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 75.310000000000002 110.835 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -120.31 133.89 55.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 73.209999999999994 110.892 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . 0.581 ' O ' HD22 ' G' ' 17' ' ' LEU . 8.6 tptm -124.61 118.61 26.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 71.319999999999993 110.889 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.632 ' HB2' HD13 ' H' ' 17' ' ' LEU . 4.5 mm? -127.71 103.74 7.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 41.119999999999997 110.89 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.832 HG12 ' HB2' ' G' ' 21' ' ' ALA . 1.7 t -110.99 113.4 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 74.150000000000006 111.124 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.476 ' CE1' HD12 ' G' ' 17' ' ' LEU . 4.4 m-85 -107.45 136.83 46.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 73.540000000000006 110.886 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 0.706 ' HE1' HG22 ' G' ' 31' ' ' ILE . 20.7 m-85 62.35 35.06 15.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 73.310000000000002 110.853 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . 0.832 ' HB2' HG12 ' G' ' 18' ' ' VAL . . . -87.25 125.56 34.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 71.409999999999997 111.109 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.73 72.47 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 53.229999999999997 110.875 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.451 HG23 ' ND2' ' F' ' 27' ' ' ASN . 5.3 p -139.69 139.7 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 72.129999999999995 111.126 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.63 -91.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 60.539999999999999 112.462 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 27.3 m -123.32 142.77 50.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 71.519999999999996 110.836 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . 0.435 ' ND2' HG23 ' H' ' 24' ' ' VAL . 1.3 m-80 -101.78 99.5 9.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 63.149999999999999 110.875 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.78 170.22 8.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 75.519999999999996 110.871 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.32 -128.07 26.75 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 51.43 112.503 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.704 ' HB2' ' CE2' ' B' ' 4' ' ' PHE . . . -101.22 113.71 27.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.747 0.308 . . . . 64.549999999999997 111.102 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.724 HD12 ' O ' ' H' ' 30' ' ' ALA . 0.2 OUTLIER -126.68 117.53 48.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 74.209999999999994 111.149 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.57 HG21 ' HG3' ' G' ' 35' ' ' MET . 5.8 mt -131.47 120.12 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 51.420000000000002 111.134 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.01 -55.67 17.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.782 -0.723 . . . . 72.120000000000005 112.469 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.861 HD22 ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -155.54 151.09 27.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.885 0.374 . . . . 73.549999999999997 110.895 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.57 ' HG3' HG21 ' G' ' 32' ' ' ILE . 9.8 mtp -131.59 122.94 26.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 64.25 110.909 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.851 HG11 HG11 ' B' ' 36' ' ' VAL . 43.7 t -130.59 118.02 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 62.140000000000001 111.1 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.77 26.27 60.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 63.130000000000003 112.479 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.15 157.12 21.54 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 73.340000000000003 112.528 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.724 HG22 HG12 ' H' ' 39' ' ' VAL . 9.4 m -123.79 177.72 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 74.230000000000004 111.165 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.727 ' HA ' HG22 ' H' ' 40' ' ' VAL . 17.3 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 61.420000000000002 111.168 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.794 0.331 . . . . 75.430000000000007 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.23 84.83 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 65.329999999999998 111.067 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -51.06 -30.83 16.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 63.530000000000001 110.856 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 4' ' ' PHE . . . . . 0.691 ' CE2' ' HB2' ' C' ' 30' ' ' ALA . 1.6 m-85 -157.4 114.27 2.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 74.400000000000006 110.847 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.99 107.28 8.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 74.310000000000002 110.829 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -112.55 129.84 56.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 74.409999999999997 110.856 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -134.58 101.64 5.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 74.129999999999995 110.923 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 10.2 m -144.48 175.4 10.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 60.420000000000002 110.862 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.58 -10.17 48.05 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.815 -0.707 . . . . 73.549999999999997 112.497 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -172.37 112.88 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.834 0.35 . . . . 72.109999999999999 110.887 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.32 120.22 34.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 53.520000000000003 110.878 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 58.5 t -124.76 123.49 65.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 74.129999999999995 111.124 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -138.64 117.43 12.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 63.32 110.869 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -136.26 135.08 38.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 73.319999999999993 110.893 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -121.47 134.61 55.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 72.340000000000003 110.932 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . 0.617 ' O ' HD22 ' H' ' 17' ' ' LEU . 8.4 tptm -123.36 117.32 24.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 73.219999999999999 110.931 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.632 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.6 mm? -128.93 103.25 6.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 71.430000000000007 110.956 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.838 HG12 ' HB2' ' H' ' 21' ' ' ALA . 1.4 t -112.34 114.48 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 75.299999999999997 111.155 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.467 ' HE1' HD12 ' H' ' 17' ' ' LEU . 2.9 m-85 -107.82 136.23 47.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 74.140000000000001 110.877 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . 0.708 ' HE1' HG22 ' H' ' 31' ' ' ILE . 21.5 m-85 60.91 35.33 19.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 72.140000000000001 110.903 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . 0.838 ' HB2' HG12 ' H' ' 18' ' ' VAL . . . -87.8 125.7 34.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 72.439999999999998 111.105 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.82 72.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 64.219999999999999 110.845 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.435 HG23 ' ND2' ' G' ' 27' ' ' ASN . 6.1 p -139.98 138.83 37.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 73.340000000000003 111.161 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.06 -91.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 73.239999999999995 112.482 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 26.7 m -123.26 142.36 51.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 72.219999999999999 110.835 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . 0.425 ' N ' HD22 ' H' ' 27' ' ' ASN . 1.3 m-80 -101.99 99.61 9.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 64.310000000000002 110.93 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.44 171.0 7.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 53.240000000000002 110.875 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.67 -128.8 29.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.73 . . . . 72.120000000000005 112.435 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . 0.724 ' O ' HD12 ' G' ' 31' ' ' ILE . . . -101.42 113.17 26.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 73.219999999999999 111.142 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.728 HD12 ' O ' ' I' ' 30' ' ' ALA . 0.2 OUTLIER -126.4 117.15 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 73.120000000000005 111.112 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . 0.562 HG21 ' HG3' ' H' ' 35' ' ' MET . 5.5 mt -130.42 119.64 46.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 65.019999999999996 111.168 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.89 -56.78 10.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.741 . . . . 70.439999999999998 112.506 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.863 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -153.89 149.25 27.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 72.430000000000007 110.934 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . 0.562 ' HG3' HG21 ' H' ' 32' ' ' ILE . 10.7 mtp -129.87 122.26 28.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 34.200000000000003 110.86 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.933 HG11 HG11 ' C' ' 36' ' ' VAL . 45.6 t -131.61 117.84 36.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 73.519999999999996 111.163 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.27 26.88 57.08 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 72.439999999999998 112.445 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.28 156.95 21.09 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.735 -0.745 . . . . 75.329999999999998 112.505 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.766 HG22 HG12 ' I' ' 39' ' ' VAL . 6.3 m -123.55 177.12 4.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 70.310000000000002 111.119 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . 0.739 ' HA ' HG22 ' I' ' 40' ' ' VAL . 17.0 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 74.129999999999995 111.088 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.818 0.342 . . . . 61.229999999999997 110.843 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.33 84.74 3.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 73.430000000000007 111.119 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -51.43 -30.49 19.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 74.409999999999997 110.866 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 4' ' ' PHE . . . . . 0.655 ' CE2' ' HB2' ' D' ' 30' ' ' ALA . 1.6 m-85 -157.28 114.13 3.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 75.040000000000006 110.892 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.02 107.68 8.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.230000000000004 110.883 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -113.53 130.17 56.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 72.120000000000005 110.853 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -134.16 101.81 5.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 72.109999999999999 110.883 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 10.2 m -145.05 174.68 10.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 73.099999999999994 110.857 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.48 -9.47 47.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.748 . . . . 63.109999999999999 112.532 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -172.22 113.12 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.857 0.36 . . . . 72.230000000000004 110.91 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -94.71 120.89 35.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 73.150000000000006 110.911 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 61.8 t -124.44 122.24 63.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 75.239999999999995 111.141 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -138.19 117.39 12.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.138 -0.483 . . . . 64.099999999999994 110.831 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -136.93 135.29 37.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 64.549999999999997 110.855 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -122.6 135.03 54.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 52.530000000000001 110.912 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . 0.671 ' O ' HD22 ' I' ' 17' ' ' LEU . 8.6 tptm -121.71 116.58 24.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 73.25 110.874 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.671 HD22 ' O ' ' I' ' 16' ' ' LYS . 4.6 mm? -130.44 103.13 6.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 63.219999999999999 110.947 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . 0.832 HG12 ' HB2' ' I' ' 21' ' ' ALA . 0.8 OUTLIER -113.03 117.41 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 73.129999999999995 111.144 179.871 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . 0.478 ' HE1' HD12 ' I' ' 17' ' ' LEU . 1.9 m-85 -109.08 136.38 48.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 75.310000000000002 110.915 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . 0.682 ' HE1' HG22 ' I' ' 31' ' ' ILE . 19.8 m-85 59.67 34.23 22.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 74.129999999999995 110.911 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . 0.832 ' HB2' HG12 ' I' ' 18' ' ' VAL . . . -88.38 126.36 35.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 50.329999999999998 111.069 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.31 72.44 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 74.549999999999997 110.883 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.421 HG23 ' ND2' ' H' ' 27' ' ' ASN . 6.6 p -140.49 137.72 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 71.299999999999997 111.154 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.28 -91.41 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 40.030000000000001 112.519 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 25.9 m -123.19 141.74 51.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.359 . . . . 74.040000000000006 110.86 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . 0.41 ' N ' HD22 ' I' ' 27' ' ' ASN . 1.4 m-80 -101.61 99.49 9.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 63.509999999999998 110.884 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.38 171.4 7.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 45.32 110.918 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.96 -129.06 30.93 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 62.43 112.472 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.728 ' O ' HD12 ' H' ' 31' ' ' ILE . . . -101.7 113.27 26.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.76 0.314 . . . . 74.319999999999993 111.075 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.705 HD12 ' O ' ' J' ' 30' ' ' ALA . 0.2 OUTLIER -126.73 117.22 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 73.340000000000003 111.145 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . 0.669 HG21 ' HG3' ' I' ' 35' ' ' MET . 5.4 mt -129.75 119.26 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 70.219999999999999 111.114 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.85 -58.14 8.88 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 74.319999999999993 112.454 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.872 HD22 ' O ' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -152.29 147.61 26.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.793 0.33 . . . . 73.409999999999997 110.949 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . 0.669 ' HG3' HG21 ' I' ' 32' ' ' ILE . 11.1 mtp -130.55 121.88 26.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 73.439999999999998 110.893 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.898 HG11 HG11 ' D' ' 36' ' ' VAL . 47.1 t -132.66 117.38 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 73.420000000000002 111.148 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.98 26.72 58.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 40.409999999999997 112.499 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.86 157.98 21.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.791 -0.719 . . . . 45.100000000000001 112.492 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 0.864 HG22 HG12 ' J' ' 39' ' ' VAL . 5.2 m -123.52 178.11 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.36 . . . . 64.120000000000005 111.143 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . 0.739 HG22 ' HA ' ' H' ' 40' ' ' VAL . 16.9 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 50.049999999999997 111.126 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.826 0.346 . . . . 74.329999999999998 110.841 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.12 83.49 3.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 61.32 111.072 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -51.74 -30.06 21.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 73.129999999999995 110.916 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' J' J ' 4' ' ' PHE . . . . . 0.627 ' CZ ' ' HB2' ' E' ' 30' ' ' ALA . 1.7 m-85 -157.55 114.61 2.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 75.140000000000001 110.875 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.98 107.34 8.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 63.119999999999997 110.883 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -115.73 130.48 56.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 73.140000000000001 110.867 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -132.78 101.55 5.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 74.200000000000003 110.857 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 10.2 m -145.66 170.6 16.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 70.5 110.824 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.01 -8.86 53.45 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.695 -0.764 . . . . 75.200000000000003 112.486 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -171.69 112.15 0.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.814 0.34 . . . . 72.010000000000005 110.912 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.32 121.68 37.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 73.099999999999994 110.915 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 57.2 t -123.61 122.6 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.239999999999995 111.134 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -139.07 116.21 11.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 71.540000000000006 110.871 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -136.84 135.66 38.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 74.120000000000005 110.873 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -122.63 138.34 54.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.540000000000006 110.906 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . 0.692 ' O ' HD22 ' J' ' 17' ' ' LEU . 8.2 tptm -122.53 114.87 21.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 73.200000000000003 110.892 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.692 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.5 mm? -130.67 105.48 7.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 71.5 110.892 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.772 HG12 ' HB2' ' J' ' 21' ' ' ALA . 0.2 OUTLIER -113.36 120.66 63.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 73.140000000000001 111.132 179.801 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.493 ' HE1' HD12 ' J' ' 17' ' ' LEU . 1.6 m-85 -111.21 134.27 52.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 62.219999999999999 110.898 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . 0.598 ' HE1' HG22 ' J' ' 31' ' ' ILE . 21.6 m-85 57.57 34.99 25.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 74.209999999999994 110.842 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . 0.772 ' HB2' HG12 ' J' ' 18' ' ' VAL . . . -90.89 128.33 36.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 70.450000000000003 111.082 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.49 73.14 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 74.439999999999998 110.825 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 p -141.63 136.03 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 62.409999999999997 111.182 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.4 -89.41 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 71.329999999999998 112.48 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 26.2 m -125.26 139.63 53.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 73.420000000000002 110.857 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -100.61 99.52 10.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 62.32 110.891 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.15 171.37 7.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 74.519999999999996 110.871 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . 0.402 ' HA2' ' HA ' ' E' ' 3' ' ' GLU . . . 51.78 -130.46 35.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 63.149999999999999 112.421 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 0.705 ' O ' HD12 ' I' ' 31' ' ' ILE . . . -102.67 113.07 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 63.240000000000002 111.107 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.598 HG22 ' HE1' ' J' ' 20' ' ' PHE . 0.3 OUTLIER -127.74 118.26 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 74.340000000000003 111.125 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . 0.637 HG21 ' HG3' ' J' ' 35' ' ' MET . 5.4 mt -126.16 120.45 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 71.150000000000006 111.144 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . 0.424 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -51.23 -54.72 22.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 73.519999999999996 112.481 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.831 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -152.9 150.57 29.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.348 . . . . 64.329999999999998 110.892 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . 0.637 ' HG3' HG21 ' J' ' 32' ' ' ILE . 10.8 mtp -134.25 120.18 19.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 71.299999999999997 110.895 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.747 HG11 HG11 ' E' ' 36' ' ' VAL . 46.5 t -134.46 115.35 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 74.340000000000003 111.132 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.2 27.33 57.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 43.210000000000001 112.467 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.09 159.82 21.26 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 74.409999999999997 112.47 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.864 HG12 HG22 ' I' ' 39' ' ' VAL . 10.3 m -123.86 177.78 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.37 . . . . 12.01 111.13 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.732 HG22 ' HA ' ' I' ' 40' ' ' VAL . 18.2 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 75.299999999999997 111.117 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.83 0.347 . . . . 51.020000000000003 110.84 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.0 91.62 3.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 74.140000000000001 111.118 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.91 -38.73 83.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 63.219999999999999 110.865 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.687 ' CE1' ' HB2' ' F' ' 30' ' ' ALA . 4.7 m-85 -146.98 112.32 5.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 71.319999999999993 110.907 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.02 108.58 6.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 74.349999999999994 110.894 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -110.6 130.25 55.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 63.340000000000003 110.808 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -135.03 101.5 4.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 73.200000000000003 110.861 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' B' ' 8' ' ' SER . 54.9 p -148.8 177.38 9.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 74.239999999999995 110.883 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.97 -10.58 45.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 41.200000000000003 112.521 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.38 115.43 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 73.400000000000006 110.919 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -107.19 120.66 42.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 61.399999999999999 110.864 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 36.8 t -132.88 113.99 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 61.039999999999999 111.107 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 67.4 m170 -114.0 126.35 55.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 70.239999999999995 110.853 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -136.53 119.22 16.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 63.399999999999999 110.881 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.412 ' HB3' HG11 ' F' ' 39' ' ' VAL . 0.0 OUTLIER -131.43 133.67 45.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 74.219999999999999 110.941 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.569 ' HD3' HG13 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -129.84 116.59 18.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 72.530000000000001 110.885 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.466 HD12 ' HE1' ' A' ' 19' ' ' PHE . 3.8 mm? -112.86 112.59 24.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 72.329999999999998 110.92 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.726 HG12 ' CG2' ' B' ' 18' ' ' VAL . 27.6 m -115.88 120.53 65.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 74.400000000000006 111.107 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.466 ' HE1' HD12 ' A' ' 17' ' ' LEU . 9.4 m-30 -102.99 114.98 29.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 72.209999999999994 110.87 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.464 ' CE2' HG22 ' A' ' 31' ' ' ILE . 14.6 m-30 50.44 74.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 64.420000000000002 110.888 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.75 130.86 39.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 71.120000000000005 111.064 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 63.09 88.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.019999999999996 110.854 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.583 ' CG1' HG23 ' B' ' 24' ' ' VAL . 10.7 p -126.13 137.28 58.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 74.329999999999998 111.187 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.07 -45.68 96.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.758 . . . . 73.540000000000006 112.497 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 m -166.97 133.71 2.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.364 . . . . 71.0 110.842 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.405 ' OD1' HG21 ' A' ' 31' ' ' ILE . 24.0 m-20 -102.08 101.21 11.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 62.109999999999999 110.909 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.81 159.55 20.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 61.350000000000001 110.895 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.95 -130.64 42.41 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 72.310000000000002 112.505 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.679 ' HB2' ' CE1' ' F' ' 4' ' ' PHE . . . -101.76 114.4 28.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.761 0.315 . . . . 53.240000000000002 111.097 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.864 HD13 HG23 ' B' ' 31' ' ' ILE . 0.2 OUTLIER -121.5 111.61 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 71.0 111.114 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -128.5 111.26 23.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 62.049999999999997 111.106 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -45.21 -52.39 8.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.753 -0.737 . . . . 43.009999999999998 112.446 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.808 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -158.27 155.4 28.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.775 0.322 . . . . 74.400000000000006 110.928 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -133.62 126.06 30.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 53.25 110.931 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.498 HG11 HG11 ' F' ' 36' ' ' VAL . 3.2 p -134.49 111.64 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 60.340000000000003 111.138 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.63 18.49 70.13 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.724 . . . . 71.450000000000003 112.469 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.46 -165.19 27.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 33.439999999999998 112.522 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.741 HG13 HG23 ' B' ' 39' ' ' VAL . 6.8 p -168.57 142.84 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.881 0.372 . . . . 64.120000000000005 111.154 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.622 HG12 HG22 ' B' ' 40' ' ' VAL . 31.8 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 55.109999999999999 111.133 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.793 0.33 . . . . 73.530000000000001 110.921 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.81 91.62 3.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 53.350000000000001 111.09 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -59.27 -37.21 77.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 64.540000000000006 110.887 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.686 ' CE1' ' HB2' ' G' ' 30' ' ' ALA . 5.7 m-85 -148.34 111.89 5.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 64.450000000000003 110.882 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.73 108.32 7.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 73.530000000000001 110.853 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -110.97 129.39 55.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 53.5 110.875 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -134.38 101.19 4.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 60.5 110.853 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' C' ' 8' ' ' SER . 55.0 p -148.9 176.82 10.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 71.230000000000004 110.85 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.32 -10.98 43.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.684 -0.77 . . . . 74.340000000000003 112.498 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.44 113.88 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 53.299999999999997 110.897 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -104.74 120.33 41.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 71.310000000000002 110.88 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 36.1 t -131.37 113.87 24.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 72.420000000000002 111.136 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 67.5 m170 -114.53 126.36 54.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 70.439999999999998 110.848 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -136.61 120.03 16.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 73.140000000000001 110.8 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.06 133.13 45.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 71.310000000000002 110.923 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.479 ' HD3' HG13 ' B' ' 18' ' ' VAL . 0.1 OUTLIER -126.85 118.73 25.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 74.099999999999994 110.917 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.52 HD12 ' HE1' ' B' ' 19' ' ' PHE . 3.4 mm? -117.58 111.73 19.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 61.240000000000002 110.944 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.726 ' CG2' HG12 ' A' ' 18' ' ' VAL . 29.4 m -117.43 120.98 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 73.450000000000003 111.131 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.52 ' HE1' HD12 ' B' ' 17' ' ' LEU . 5.1 m-30 -101.86 116.65 33.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 72.439999999999998 110.855 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.664 ' CE2' HG22 ' B' ' 31' ' ' ILE . 13.9 m-30 50.64 73.22 0.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 75.140000000000001 110.929 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.49 131.32 37.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 43.539999999999999 111.092 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.61 88.18 0.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 63.130000000000003 110.888 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.605 ' CG1' HG23 ' C' ' 24' ' ' VAL . 12.4 p -127.25 135.6 63.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 51.030000000000001 111.159 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.87 -44.5 97.35 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 74.209999999999994 112.46 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 9.4 m -166.59 133.75 2.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.908 0.385 . . . . 74.409999999999997 110.835 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -102.47 101.1 11.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 72.230000000000004 110.871 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.1 160.05 20.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 63.119999999999997 110.876 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.88 -131.12 39.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 71.239999999999995 112.468 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.689 ' O ' HD12 ' A' ' 31' ' ' ILE . . . -101.79 114.19 28.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.74 0.305 . . . . 62.329999999999998 111.123 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.864 HG23 HD13 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -122.31 111.37 30.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 53.32 111.154 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 mt -127.03 112.97 30.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 65.0 111.146 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.2 -54.26 6.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.763 . . . . 54.509999999999998 112.501 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.816 ' N ' HD13 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -155.09 153.65 31.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.344 . . . . 63.329999999999998 110.873 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.8 mtp -128.13 122.44 31.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 65.450000000000003 110.861 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.451 ' O ' HG13 ' B' ' 36' ' ' VAL . 3.4 p -137.0 111.61 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 75.019999999999996 111.124 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.64 18.67 66.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 52.520000000000003 112.488 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.09 -165.55 27.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.7 -0.762 . . . . 75.340000000000003 112.454 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.76 HG13 HG23 ' C' ' 39' ' ' VAL . 6.9 p -168.15 141.53 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.917 0.389 . . . . 63.009999999999998 111.104 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.622 HG22 HG12 ' A' ' 40' ' ' VAL . 24.3 m . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 72.310000000000002 111.139 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.837 0.351 . . . . 60.25 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.29 92.02 3.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 62.100000000000001 111.116 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -59.93 -36.21 76.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 72.299999999999997 110.927 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . 0.689 ' CE1' ' HB2' ' H' ' 30' ' ' ALA . 5.6 m-85 -148.29 111.87 5.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 74.310000000000002 110.888 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.26 107.87 8.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 75.430000000000007 110.867 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -112.27 128.75 56.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 72.420000000000002 110.864 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -133.71 101.58 5.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 74.230000000000004 110.847 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . 0.441 ' O ' ' HA ' ' D' ' 8' ' ' SER . 54.8 p -148.78 176.38 10.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 75.129999999999995 110.838 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.73 -10.83 42.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 63.5 112.485 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.47 113.6 0.28 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.817 0.341 . . . . 73.230000000000004 110.941 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -105.02 120.7 42.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 71.420000000000002 110.851 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 38.3 t -131.99 114.16 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 74.439999999999998 111.127 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -114.14 126.78 55.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 74.239999999999995 110.872 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -136.29 120.35 17.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 61.509999999999998 110.863 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . 0.405 ' NE2' HD23 ' C' ' 17' ' ' LEU . 0.0 OUTLIER -131.76 132.87 44.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 64.319999999999993 110.939 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.92 119.31 28.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 71.140000000000001 110.877 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.498 HD12 ' HE1' ' C' ' 19' ' ' PHE . 3.7 mm? -119.41 111.01 17.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 73.409999999999997 110.879 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.717 ' CG2' HG12 ' B' ' 18' ' ' VAL . 26.8 m -117.87 121.5 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 74.120000000000005 111.162 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.498 ' HE1' HD12 ' C' ' 17' ' ' LEU . 4.0 m-30 -101.77 115.04 29.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 75.140000000000001 110.91 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.724 ' CE2' HG22 ' C' ' 31' ' ' ILE . 13.0 m-30 51.77 73.11 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 65.040000000000006 110.884 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.64 130.81 38.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 43.340000000000003 111.095 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.49 87.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 75.200000000000003 110.875 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.608 ' CG1' HG23 ' D' ' 24' ' ' VAL . 12.9 p -126.94 135.78 62.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 74.219999999999999 111.115 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.87 -44.89 96.76 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.702 -0.761 . . . . 73.129999999999995 112.468 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 9.6 m -166.5 133.7 2.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 73.439999999999998 110.852 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -102.48 101.02 11.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 74.400000000000006 110.847 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.93 160.22 19.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 72.430000000000007 110.922 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.42 -131.26 38.19 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 71.349999999999994 112.471 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.708 ' O ' HD12 ' B' ' 31' ' ' ILE . . . -101.86 113.61 26.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 52.520000000000003 111.061 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.806 HG23 HD13 ' B' ' 31' ' ' ILE . 0.2 OUTLIER -122.69 111.46 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 72.409999999999997 111.086 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mt -126.15 113.3 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 63.119999999999997 111.157 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -43.61 -55.0 5.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.8 -0.714 . . . . 74.040000000000006 112.482 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.828 ' N ' HD13 ' C' ' 34' ' ' LEU . 0.0 OUTLIER -153.54 152.58 31.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 72.530000000000001 110.922 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -127.96 121.2 29.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 73.230000000000004 110.849 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.443 ' O ' HG13 ' C' ' 36' ' ' VAL . 3.3 p -138.08 112.4 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 70.340000000000003 111.168 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.89 19.29 65.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 41.43 112.498 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.84 -165.17 28.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 32.030000000000001 112.506 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.76 HG23 HG13 ' B' ' 39' ' ' VAL . 6.5 p -167.88 141.11 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.914 0.388 . . . . 70.239999999999995 111.111 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.608 HG22 HG12 ' B' ' 40' ' ' VAL . 25.0 m . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 73.409999999999997 111.137 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.787 0.327 . . . . 75.209999999999994 110.836 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.35 91.99 3.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 70.5 111.085 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -59.64 -35.81 75.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 63.399999999999999 110.889 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 4' ' ' PHE . . . . . 0.672 ' CE1' ' HB2' ' I' ' 30' ' ' ALA . 5.8 m-85 -148.31 111.63 4.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 75.540000000000006 110.9 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.54 107.58 8.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 75.099999999999994 110.87 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -113.58 128.2 56.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 75.120000000000005 110.896 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -132.73 101.59 5.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 71.299999999999997 110.882 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' C' ' 8' ' ' SER . 55.0 p -148.74 175.41 11.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 65.439999999999998 110.905 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.91 -10.53 42.71 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.807 -0.711 . . . . 72.439999999999998 112.525 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.28 113.88 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.354 . . . . 65.430000000000007 110.923 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -106.48 121.17 43.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 74.310000000000002 110.922 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 38.8 t -132.6 114.41 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 50.399999999999999 111.137 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -114.1 126.54 55.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 75.200000000000003 110.889 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -135.3 121.4 20.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 64.129999999999995 110.895 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . 0.421 ' NE2' HD23 ' D' ' 17' ' ' LEU . 0.0 OUTLIER -132.55 133.22 43.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 73.150000000000006 110.918 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.6 118.95 28.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 74.420000000000002 110.912 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.479 HD12 ' HE1' ' D' ' 19' ' ' PHE . 3.6 mm? -120.68 110.56 16.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 74.340000000000003 110.924 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.692 HG12 ' CG2' ' E' ' 18' ' ' VAL . 27.4 m -117.67 122.57 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 71.230000000000004 111.148 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.479 ' HE1' HD12 ' D' ' 17' ' ' LEU . 3.1 m-30 -102.16 112.94 25.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 74.340000000000003 110.903 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.763 ' CE2' HG22 ' D' ' 31' ' ' ILE . 13.7 m-30 52.67 72.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 65.219999999999999 110.866 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.54 130.4 38.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 44.310000000000002 111.079 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.49 87.31 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 73.450000000000003 110.819 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.641 ' CG1' HG23 ' E' ' 24' ' ' VAL . 12.5 p -126.83 135.73 62.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 75.049999999999997 111.151 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.47 -45.03 96.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 70.239999999999995 112.467 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 9.5 m -166.4 133.3 2.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.865 0.364 . . . . 72.540000000000006 110.832 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -102.41 100.5 10.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 72.530000000000001 110.902 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.96 160.53 19.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 74.129999999999995 110.92 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.85 -131.34 36.82 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.736 -0.745 . . . . 74.310000000000002 112.513 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.733 ' O ' HD12 ' C' ' 31' ' ' ILE . . . -101.84 113.54 26.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.72 0.295 . . . . 72.310000000000002 111.121 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.763 HG22 ' CE2' ' D' ' 20' ' ' PHE . 0.2 OUTLIER -122.99 111.44 29.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 74.340000000000003 111.128 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mt -125.44 114.01 37.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 73.010000000000005 111.095 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.33 -55.98 5.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 72.129999999999995 112.475 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.823 ' N ' HD13 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -151.42 151.97 32.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.766 0.317 . . . . 74.409999999999997 110.936 -179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 3.0 mtp -128.52 119.93 25.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 60.140000000000001 110.888 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.448 ' O ' HG13 ' D' ' 36' ' ' VAL . 3.2 p -138.36 111.6 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 74.040000000000006 111.112 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.14 19.78 66.4 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 71.030000000000001 112.499 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.45 -165.18 28.46 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.692 -0.766 . . . . 64.430000000000007 112.431 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.743 HG23 HG13 ' C' ' 39' ' ' VAL . 6.3 p -168.15 141.88 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.868 0.366 . . . . 52.420000000000002 111.115 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.525 HG22 HG12 ' C' ' 40' ' ' VAL . 25.8 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 75.140000000000001 111.123 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.875 0.369 . . . . 74.409999999999997 110.815 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.01 91.54 3.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 61.299999999999997 111.081 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -58.53 -35.36 72.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 54.409999999999997 110.882 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 4' ' ' PHE . . . . . 0.655 ' CE1' ' HB2' ' J' ' 30' ' ' ALA . 5.5 m-85 -148.89 113.37 5.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 73.450000000000003 110.901 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.75 106.49 8.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 63.140000000000001 110.851 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -114.31 128.34 56.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 70.200000000000003 110.905 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -131.34 100.67 5.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 64.140000000000001 110.917 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' D' ' 8' ' ' SER . 54.8 p -149.54 170.86 17.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 43.219999999999999 110.863 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.94 -9.21 49.59 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.727 -0.749 . . . . 43.420000000000002 112.526 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -171.02 111.97 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 64.129999999999995 110.91 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -109.29 120.5 42.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 65.409999999999997 110.896 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 34.1 t -132.16 116.72 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 73.319999999999993 111.102 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 66.4 m170 -114.54 126.47 54.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 73.120000000000005 110.828 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -133.02 123.13 25.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 75.129999999999995 110.818 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . 0.438 ' NE2' HD23 ' E' ' 17' ' ' LEU . 0.0 OUTLIER -133.87 134.22 42.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 64.349999999999994 110.89 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . 0.4 ' O ' HD22 ' E' ' 17' ' ' LEU . 0.1 OUTLIER -123.96 117.27 24.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 74.239999999999995 110.911 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.438 HD23 ' NE2' ' E' ' 15' ' ' GLN . 3.8 mm? -120.82 107.38 12.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 51.32 110.89 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.692 ' CG2' HG12 ' D' ' 18' ' ' VAL . 30.9 m -114.23 124.36 70.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 70.549999999999997 111.128 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -102.68 112.92 25.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 73.319999999999993 110.898 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.774 ' CE2' HG22 ' E' ' 31' ' ' ILE . 14.6 m-30 51.89 71.93 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 65.319999999999993 110.87 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.31 131.07 38.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 75.099999999999994 111.099 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.1 87.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 61.329999999999998 110.864 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.641 HG23 ' CG1' ' D' ' 24' ' ' VAL . 14.1 p -127.42 135.15 64.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 63.210000000000001 111.137 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.75 -45.09 96.47 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 63.039999999999999 112.479 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 9.4 m -166.38 132.52 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 73.040000000000006 110.873 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -102.1 100.02 10.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 71.140000000000001 110.883 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.94 161.26 18.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 65.109999999999999 110.88 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.5 -131.53 35.01 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 73.230000000000004 112.48 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.738 ' O ' HD12 ' D' ' 31' ' ' ILE . . . -101.57 113.65 26.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.312 . . . . 70.430000000000007 111.122 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.774 HG22 ' CE2' ' E' ' 20' ' ' PHE . 0.2 OUTLIER -122.05 110.36 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 43.43 111.125 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -121.72 110.79 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 75.420000000000002 111.156 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . 0.544 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -44.09 -52.15 7.07 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 72.329999999999998 112.473 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.763 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -152.23 152.85 32.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.813 0.339 . . . . 72.109999999999999 110.93 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.1 mtp -130.33 119.38 22.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 72.439999999999998 110.921 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.452 ' O ' HG13 ' E' ' 36' ' ' VAL . 3.5 p -141.98 112.09 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 65.310000000000002 111.132 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.23 19.49 61.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.784 -0.722 . . . . 54.420000000000002 112.468 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.6 -165.64 29.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.686 -0.768 . . . . 63.32 112.498 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.726 HG23 HG13 ' D' ' 39' ' ' VAL . 6.8 p -167.82 141.85 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 72.439999999999998 111.161 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.503 HG22 HG12 ' D' ' 40' ' ' VAL . 28.0 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 72.319999999999993 111.123 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.833 0.349 . . . . 75.510000000000005 110.875 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.59 91.05 3.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 75.209999999999994 111.082 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.77 -39.84 78.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 43.200000000000003 110.881 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 4' ' ' PHE . . . . . 0.679 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 5.3 m-85 -147.31 113.42 5.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 75.209999999999994 110.905 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.14 108.72 6.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 72.129999999999995 110.877 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -110.13 129.72 55.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 62.420000000000002 110.847 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -134.76 101.82 5.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 71.019999999999996 110.817 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' G' ' 8' ' ' SER . 54.9 p -148.72 177.08 9.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 75.209999999999994 110.838 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.34 -10.18 45.53 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 63.409999999999997 112.465 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.36 115.46 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.885 0.374 . . . . 71.040000000000006 110.926 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -106.54 120.25 41.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 64.200000000000003 110.91 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 38.8 t -132.56 113.95 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 74.540000000000006 111.117 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 66.9 m170 -114.45 127.04 55.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 73.109999999999999 110.9 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -137.15 119.32 15.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 74.109999999999999 110.839 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . 0.435 ' HB3' HG11 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -131.6 133.18 44.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 74.129999999999995 110.894 -179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . 0.56 ' HD3' HG13 ' F' ' 18' ' ' VAL . 0.1 OUTLIER -130.24 116.62 18.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 74.120000000000005 110.87 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.462 HD12 ' HE1' ' F' ' 19' ' ' PHE . 3.7 mm? -113.16 112.78 24.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 73.430000000000007 110.903 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.726 HG12 ' CG2' ' G' ' 18' ' ' VAL . 27.5 m -115.95 120.66 65.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 52.009999999999998 111.159 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.462 ' HE1' HD12 ' F' ' 17' ' ' LEU . 9.6 m-30 -102.79 115.21 30.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 71.420000000000002 110.886 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . 0.466 ' CE2' HG22 ' F' ' 31' ' ' ILE . 14.4 m-30 50.46 74.08 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 72.230000000000004 110.866 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.01 130.71 40.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 72.430000000000007 111.106 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.66 88.12 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 60.5 110.872 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.585 ' CG1' HG23 ' G' ' 24' ' ' VAL . 9.4 p -125.98 137.0 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 71.549999999999997 111.144 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.65 -45.5 96.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 42.539999999999999 112.5 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 10.1 m -166.34 133.0 2.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.845 0.355 . . . . 53.130000000000003 110.893 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -100.33 99.82 10.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 72.209999999999994 110.893 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.44 160.09 19.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 63.219999999999999 110.917 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.38 -132.58 44.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.701 -0.761 . . . . 55.020000000000003 112.538 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.687 ' HB2' ' CE1' ' A' ' 4' ' ' PHE . . . -100.61 114.18 27.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.308 . . . . 52.340000000000003 111.099 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.854 HD13 HG23 ' G' ' 31' ' ' ILE . 0.2 OUTLIER -120.53 113.23 39.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 72.030000000000001 111.14 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 mt -130.3 110.81 19.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 53.009999999999998 111.118 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.78 -53.1 7.42 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 42.520000000000003 112.482 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.8 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -158.52 154.84 27.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 64.099999999999994 110.891 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -133.39 125.52 29.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 71.409999999999997 110.911 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.498 HG11 HG11 ' A' ' 36' ' ' VAL . 3.3 p -134.52 112.24 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 51.219999999999999 111.149 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.39 17.77 70.83 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.667 -0.778 . . . . 73.25 112.485 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.91 -165.11 26.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 64.230000000000004 112.486 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.754 HG13 HG23 ' G' ' 39' ' ' VAL . 7.7 p -168.96 144.31 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.382 . . . . 63.420000000000002 111.1 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.504 HG12 HG22 ' G' ' 40' ' ' VAL . 28.6 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 65.230000000000004 111.138 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.841 0.353 . . . . 72.510000000000005 110.865 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.33 90.67 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 73.329999999999998 111.084 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.89 -39.89 78.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 64.340000000000003 110.9 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 4' ' ' PHE . . . . . 0.673 ' CZ ' ' HB2' ' B' ' 30' ' ' ALA . 5.7 m-85 -147.87 113.02 5.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 63.119999999999997 110.868 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.47 108.65 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 75.310000000000002 110.838 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -110.78 128.97 55.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 72.530000000000001 110.898 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -134.1 101.62 5.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 74.239999999999995 110.843 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . 0.431 ' O ' ' HA ' ' H' ' 8' ' ' SER . 55.6 p -148.83 176.32 10.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 64.340000000000003 110.823 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.31 -10.72 44.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 54.310000000000002 112.459 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.4 113.74 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.811 0.339 . . . . 70.230000000000004 110.889 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -103.98 119.98 40.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 73.150000000000006 110.882 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 37.6 t -131.04 113.71 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 61.119999999999997 111.139 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -114.56 127.14 55.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 74.010000000000005 110.911 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -137.5 119.72 15.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 75.120000000000005 110.855 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.99 132.93 45.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 74.5 110.893 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . 0.471 ' HD3' HG13 ' G' ' 18' ' ' VAL . 0.1 OUTLIER -127.4 118.03 23.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 72.129999999999995 110.932 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.517 HD12 ' HE1' ' G' ' 19' ' ' PHE . 3.3 mm? -117.24 111.92 20.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 71.439999999999998 110.946 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.726 ' CG2' HG12 ' F' ' 18' ' ' VAL . 30.3 m -117.54 121.17 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 71.319999999999993 111.13 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.517 ' HE1' HD12 ' G' ' 17' ' ' LEU . 5.0 m-30 -101.94 116.51 32.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 65.409999999999997 110.874 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 0.673 ' CE2' HG22 ' G' ' 31' ' ' ILE . 13.8 m-30 51.15 73.28 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 71.129999999999995 110.899 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.68 131.2 37.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 62.25 111.118 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.78 88.56 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 74.530000000000001 110.871 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.597 ' CG1' HG23 ' H' ' 24' ' ' VAL . 12.2 p -127.35 135.67 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 72.120000000000005 111.143 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.18 -44.32 97.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.756 . . . . 73.010000000000005 112.524 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 11.4 m -166.38 133.04 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 51.219999999999999 110.852 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -101.08 100.17 10.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 71.409999999999997 110.864 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.54 160.05 19.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 72.25 110.895 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.47 -132.91 41.73 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 62.310000000000002 112.503 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.7 ' O ' HD12 ' F' ' 31' ' ' ILE . . . -100.6 114.21 27.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 71.219999999999999 111.085 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.854 HG23 HD13 ' F' ' 31' ' ' ILE . 0.1 OUTLIER -121.86 112.07 33.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 75.329999999999998 111.174 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 mt -127.49 112.8 29.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 64.400000000000006 111.111 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . 0.401 ' HA3' ' HB3' ' G' ' 19' ' ' PHE . . . -44.17 -54.84 6.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 73.540000000000006 112.492 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.82 ' N ' HD13 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -154.94 153.51 31.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 70.549999999999997 110.89 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -128.24 122.41 31.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 44.350000000000001 110.853 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.438 ' O ' HG13 ' G' ' 36' ' ' VAL . 3.5 p -137.14 112.62 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 63.009999999999998 111.122 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.23 18.35 64.95 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 34.119999999999997 112.459 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.23 -165.46 27.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.741 . . . . 74.430000000000007 112.47 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.769 HG13 HG23 ' H' ' 39' ' ' VAL . 6.9 p -168.77 142.83 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.897 0.38 . . . . 72.150000000000006 111.09 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.504 HG22 HG12 ' F' ' 40' ' ' VAL . 25.5 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 74.0 111.106 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.756 0.313 . . . . 65.219999999999999 110.869 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.89 91.23 3.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 72.439999999999998 111.152 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.9 -38.83 76.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 73.239999999999995 110.921 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 4' ' ' PHE . . . . . 0.673 ' CZ ' ' HB2' ' C' ' 30' ' ' ALA . 5.6 m-85 -147.91 113.12 5.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 62.520000000000003 110.856 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.45 108.19 8.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 62.140000000000001 110.859 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -111.73 128.35 56.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 74.430000000000007 110.871 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -133.35 101.63 5.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 71.430000000000007 110.848 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' G' ' 8' ' ' SER . 54.7 p -148.68 175.97 10.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 70.239999999999995 110.856 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.67 -10.61 43.26 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.775 -0.726 . . . . 74.219999999999999 112.507 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.36 113.59 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 72.120000000000005 110.948 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -104.29 120.16 40.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 65.239999999999995 110.925 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 37.1 t -131.33 114.06 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 70.510000000000005 111.109 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -114.49 127.03 55.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 72.219999999999999 110.846 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -136.95 120.21 16.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 65.530000000000001 110.839 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.59 132.89 44.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 61.009999999999998 110.939 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.53 118.26 25.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 72.439999999999998 110.903 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.502 HD12 ' HE1' ' H' ' 19' ' ' PHE . 3.6 mm? -118.74 111.33 18.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 71.230000000000004 110.892 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.716 ' CG2' HG12 ' G' ' 18' ' ' VAL . 30.9 m -118.02 121.68 67.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 75.310000000000002 111.17 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.502 ' HE1' HD12 ' H' ' 17' ' ' LEU . 4.0 m-30 -101.83 114.69 28.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 72.120000000000005 110.888 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . 0.738 ' CE2' HG22 ' H' ' 31' ' ' ILE . 13.2 m-30 52.43 72.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 73.010000000000005 110.897 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.49 131.06 37.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 74.450000000000003 111.086 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.29 88.09 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 62.329999999999998 110.855 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.623 ' CG1' HG23 ' I' ' 24' ' ' VAL . 12.6 p -126.9 135.26 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 62.43 111.156 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.86 -44.47 97.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 75.340000000000003 112.462 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 10.4 m -166.38 132.81 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 53.210000000000001 110.888 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -100.82 99.97 10.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 73.519999999999996 110.93 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.5 160.23 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 61.450000000000003 110.832 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.07 -133.48 39.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 61.100000000000001 112.483 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . 0.714 ' O ' HD12 ' G' ' 31' ' ' ILE . . . -100.53 113.78 26.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.765 0.317 . . . . 60.109999999999999 111.081 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.825 HG23 HD13 ' G' ' 31' ' ' ILE . 0.1 OUTLIER -121.96 112.72 36.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 70.129999999999995 111.116 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mt -126.91 113.08 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 75.409999999999997 111.162 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -43.67 -55.75 5.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 50.520000000000003 112.496 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.823 ' N ' HD13 ' H' ' 34' ' ' LEU . 0.0 OUTLIER -153.22 152.37 31.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.806 0.336 . . . . 44.420000000000002 110.916 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -127.39 120.97 29.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 72.239999999999995 110.901 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.442 ' O ' HG13 ' H' ' 36' ' ' VAL . 3.4 p -137.76 112.19 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 54.539999999999999 111.103 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.93 18.83 64.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.792 -0.718 . . . . 43.219999999999999 112.474 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.51 -165.65 28.46 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.727 -0.749 . . . . 72.239999999999995 112.48 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.769 HG23 HG13 ' G' ' 39' ' ' VAL . 6.4 p -168.54 142.33 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.348 . . . . 64.420000000000002 111.142 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . 0.475 HG12 HG22 ' I' ' 40' ' ' VAL . 26.3 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 74.510000000000005 111.127 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.838 0.351 . . . . 72.299999999999997 110.892 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.83 91.29 3.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 53.25 111.106 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.68 -38.56 75.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 72.349999999999994 110.866 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 4' ' ' PHE . . . . . 0.678 ' CZ ' ' HB2' ' D' ' 30' ' ' ALA . 5.5 m-85 -148.03 113.02 5.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 74.430000000000007 110.858 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.05 108.01 9.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 65.129999999999995 110.861 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -112.95 127.78 56.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 63.329999999999998 110.848 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -132.49 101.69 5.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 73.030000000000001 110.9 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' H' ' 8' ' ' SER . 54.8 p -148.91 175.03 11.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.030000000000001 110.833 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.85 -10.3 43.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 53.420000000000002 112.506 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.34 113.78 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 75.129999999999995 110.899 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -105.43 120.88 42.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 62.530000000000001 110.924 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 38.8 t -131.85 114.06 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 70.109999999999999 111.132 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 67.3 m170 -114.24 126.73 55.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 60.530000000000001 110.848 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -136.16 120.97 18.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 75.150000000000006 110.869 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.35 133.07 43.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 72.519999999999996 110.862 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.03 118.46 27.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 75.430000000000007 110.905 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.436 HD12 ' HE1' ' I' ' 19' ' ' PHE . 3.6 mm? -120.35 110.74 16.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 54.109999999999999 110.896 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . 0.692 HG12 ' CG2' ' J' ' 18' ' ' VAL . 27.2 m -117.69 122.76 70.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 73.319999999999993 111.133 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . 0.436 ' HE1' HD12 ' I' ' 17' ' ' LEU . 3.1 m-30 -102.15 113.05 25.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 72.120000000000005 110.893 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . 0.773 ' CE2' HG22 ' I' ' 31' ' ' ILE . 13.7 m-30 52.9 72.11 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 75.319999999999993 110.846 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.82 130.8 38.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 71.200000000000003 111.07 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.32 87.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 55.219999999999999 110.885 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.663 ' CG1' HG23 ' J' ' 24' ' ' VAL . 11.9 p -127.11 135.35 63.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 61.130000000000003 111.083 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.17 -44.8 97.22 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.743 -0.741 . . . . 70.209999999999994 112.466 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 9.5 m -166.52 132.78 2.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 74.420000000000002 110.876 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -100.83 99.84 10.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 75.409999999999997 110.897 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.57 160.36 19.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 65.530000000000001 110.94 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.77 -133.24 37.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 73.129999999999995 112.476 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.731 ' O ' HD12 ' H' ' 31' ' ' ILE . . . -100.57 113.7 26.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 51.200000000000003 111.111 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.773 HG22 ' CE2' ' I' ' 20' ' ' PHE . 0.1 OUTLIER -122.08 112.53 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 72.519999999999996 111.165 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mt -126.2 113.33 33.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 72.219999999999999 111.134 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . 0.406 ' C ' HD13 ' I' ' 34' ' ' LEU . . . -44.13 -56.79 5.15 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.727 -0.749 . . . . 42.130000000000003 112.463 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.819 ' N ' HD13 ' I' ' 34' ' ' LEU . 0.0 OUTLIER -151.26 151.56 32.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 74.140000000000001 110.908 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 3.0 mtp -127.87 120.17 27.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 74.420000000000002 110.861 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.443 ' O ' HG13 ' I' ' 36' ' ' VAL . 3.2 p -138.58 111.52 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 64.239999999999995 111.135 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.46 19.33 66.59 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.716 -0.754 . . . . 64.010000000000005 112.451 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.26 -165.36 28.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 75.019999999999996 112.476 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 0.758 HG23 HG13 ' H' ' 39' ' ' VAL . 6.2 p -168.65 142.51 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.37 . . . . 72.340000000000003 111.145 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . 0.517 HG12 HG22 ' J' ' 40' ' ' VAL . 27.1 m . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 70.329999999999998 111.159 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.867 0.365 . . . . 74.299999999999997 110.838 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.23 91.2 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 62.229999999999997 111.116 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -57.7 -37.88 74.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 73.129999999999995 110.93 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' J' J ' 4' ' ' PHE . . . . . 0.669 ' CZ ' ' HB2' ' E' ' 30' ' ' ALA . 5.1 m-85 -148.35 114.07 5.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 75.450000000000003 110.874 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.16 107.24 8.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 44.229999999999997 110.837 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -113.69 127.27 55.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 63.420000000000002 110.892 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -130.64 101.33 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 74.099999999999994 110.853 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 55.1 p -150.16 170.22 19.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 62.039999999999999 110.887 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.87 -8.98 50.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 62.039999999999999 112.492 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -170.94 111.56 0.37 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.875 0.369 . . . . 73.150000000000006 110.919 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -107.76 120.37 42.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.51 . . . . 62.43 110.88 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 33.5 t -131.57 116.34 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 72.219999999999999 111.175 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 67.3 m170 -114.52 126.61 55.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 74.430000000000007 110.863 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -133.6 122.32 23.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 72.209999999999994 110.848 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.06 133.62 43.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 75.310000000000002 110.9 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.47 116.12 21.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 63.219999999999999 110.874 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.423 HD13 ' CB ' ' I' ' 17' ' ' LEU . 3.8 mm? -120.37 107.87 13.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 62.530000000000001 110.934 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.692 ' CG2' HG12 ' I' ' 18' ' ' VAL . 30.8 m -114.54 124.19 70.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 71.010000000000005 111.125 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' J' ' 19' ' ' PHE . 2.5 m-30 -102.57 112.67 25.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 75.5 110.866 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . 0.805 ' CE2' HG22 ' J' ' 31' ' ' ILE . 14.7 m-30 52.26 71.87 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 70.540000000000006 110.901 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.74 131.5 39.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 63.32 111.123 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.78 87.17 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 60.200000000000003 110.901 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.663 HG23 ' CG1' ' I' ' 24' ' ' VAL . 12.9 p -127.83 135.2 63.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 43.420000000000002 111.139 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.11 -45.05 96.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 50.119999999999997 112.483 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 8.6 m -166.88 132.17 2.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.92 0.39 . . . . 73.099999999999994 110.816 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 -100.61 99.81 10.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 64.040000000000006 110.891 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.49 161.24 18.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 75.099999999999994 110.894 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.17 -133.61 36.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 71.439999999999998 112.5 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 0.73 ' O ' HD12 ' I' ' 31' ' ' ILE . . . -100.32 113.72 26.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.744 0.306 . . . . 54.0 111.06 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.805 HG22 ' CE2' ' J' ' 20' ' ' PHE . 0.2 OUTLIER -121.75 112.42 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 74.420000000000002 111.168 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 mt -122.94 111.1 28.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 70.239999999999995 111.13 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . 0.549 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -43.83 -53.25 6.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 53.109999999999999 112.495 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.761 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -151.78 152.97 33.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.821 0.343 . . . . 61.509999999999998 110.89 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 3.1 mtp -129.76 119.52 23.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 64.310000000000002 110.906 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.448 ' O ' HG13 ' J' ' 36' ' ' VAL . 3.4 p -142.37 111.67 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 71.209999999999994 111.128 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.77 19.55 63.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 72.219999999999999 112.507 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.88 -165.55 29.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.728 -0.749 . . . . 74.010000000000005 112.467 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.734 HG23 HG13 ' I' ' 39' ' ' VAL . 6.5 p -168.29 141.74 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 64.519999999999996 111.127 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.517 HG22 HG12 ' I' ' 40' ' ' VAL . 27.7 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 60.32 111.151 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.84 0.353 . . . . 71.349999999999994 110.857 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.13 78.44 1.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 62.520000000000003 111.112 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -53.78 -34.14 58.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 61.109999999999999 110.878 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.727 ' CE1' ' HB2' ' F' ' 30' ' ' ALA . 2.1 m-85 -150.82 112.49 4.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 55.130000000000003 110.898 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -137.81 108.03 6.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 73.230000000000004 110.861 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.27 130.01 55.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 63.340000000000003 110.897 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -135.75 100.69 4.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 63.450000000000003 110.861 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' B' ' 8' ' ' SER . 2.8 p -156.03 127.86 7.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 75.430000000000007 110.776 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.07 -26.64 12.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 33.439999999999998 112.481 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -146.03 109.24 4.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.846 0.355 . . . . 73.319999999999993 110.968 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -109.69 119.51 39.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 63.439999999999998 110.897 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.568 HG23 HG13 ' B' ' 12' ' ' VAL . 3.7 p -139.33 125.53 23.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 55.219999999999999 111.136 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -125.15 112.86 16.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 63.009999999999998 110.868 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -116.35 126.91 54.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 64.349999999999994 110.829 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -124.75 132.79 53.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 74.120000000000005 110.947 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.481 ' O ' HD22 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -134.45 117.68 16.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 55.530000000000001 110.895 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.613 ' HB2' HD13 ' B' ' 17' ' ' LEU . 3.5 mm? -121.7 114.97 21.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 72.349999999999994 110.897 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.569 ' CG1' ' HB2' ' A' ' 21' ' ' ALA . 90.5 t -109.49 112.6 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 74.439999999999998 111.135 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.578 ' HE1' HD12 ' A' ' 17' ' ' LEU . 13.0 m-30 -102.69 106.16 16.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 73.219999999999999 110.863 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 59.04 91.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 70.140000000000001 110.898 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.569 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . . . -117.48 143.43 46.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 53.409999999999997 111.122 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.7 t0 53.06 71.83 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 70.400000000000006 110.867 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.563 HG22 ' H ' ' A' ' 26' ' ' SER . 8.0 p -112.61 129.3 68.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 54.420000000000002 111.12 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.02 -36.39 42.98 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.8 -0.714 . . . . 62.43 112.498 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . 0.563 ' H ' HG22 ' A' ' 24' ' ' VAL . 0.4 OUTLIER 179.86 140.14 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.927 0.394 . . . . 73.329999999999998 110.809 -179.758 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -98.59 103.86 15.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 72.140000000000001 110.865 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.6 155.62 25.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 72.510000000000005 110.916 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.83 -136.81 50.45 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.774 -0.727 . . . . 44.530000000000001 112.449 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.747 ' HB2' ' CE2' ' F' ' 4' ' ' PHE . . . -96.84 111.57 23.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.734 0.302 . . . . 72.530000000000001 111.07 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.69 HG13 HG22 ' B' ' 31' ' ' ILE . 0.0 OUTLIER -122.58 117.64 52.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 61.32 111.138 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.411 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 3.4 mt -132.92 118.86 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 73.219999999999999 111.118 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.05 -49.95 7.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 34.200000000000003 112.478 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.811 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -158.6 155.98 29.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 55.32 110.914 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 16.0 mtp -131.68 122.81 26.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 75.430000000000007 110.904 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.573 HG21 HG11 ' F' ' 36' ' ' VAL . 81.1 t -134.26 114.87 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 63.310000000000002 111.11 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.51 16.59 55.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 74.349999999999994 112.497 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.61 -174.39 22.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.688 -0.768 . . . . 72.099999999999994 112.479 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.908 HG13 HG23 ' B' ' 39' ' ' VAL . 13.2 p -155.93 149.39 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 65.310000000000002 111.132 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.725 ' HA ' HG22 ' B' ' 40' ' ' VAL . 18.1 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 63.520000000000003 111.13 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.77 0.319 . . . . 63.539999999999999 110.875 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.3 79.29 1.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 75.319999999999993 111.087 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -53.16 -31.13 41.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 74.120000000000005 110.831 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.677 ' CE2' ' HB2' ' G' ' 30' ' ' ALA . 2.9 m-85 -153.8 112.87 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 72.420000000000002 110.914 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -135.7 108.73 7.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 72.420000000000002 110.906 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.41 131.1 55.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 71.25 110.851 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -136.22 101.69 4.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.319999999999993 110.836 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.411 ' O ' ' HA ' ' C' ' 8' ' ' SER . 2.8 p -156.55 127.2 6.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 63.130000000000003 110.835 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.93 -26.69 11.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 74.219999999999999 112.508 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.35 107.08 3.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 73.409999999999997 110.935 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -108.04 119.59 39.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 64.549999999999997 110.873 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.575 HG23 HG13 ' C' ' 12' ' ' VAL . 3.5 p -137.25 126.12 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 75.310000000000002 111.15 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -123.66 112.92 17.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 65.019999999999996 110.867 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -116.06 126.25 53.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 72.340000000000003 110.812 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -124.26 132.62 53.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 72.200000000000003 110.924 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.507 ' O ' HD22 ' B' ' 17' ' ' LEU . 0.1 OUTLIER -130.67 117.88 20.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 72.439999999999998 110.891 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.658 ' HB2' HD13 ' C' ' 17' ' ' LEU . 3.9 mm? -122.05 111.86 17.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 73.140000000000001 110.88 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.534 ' CG1' ' HB2' ' B' ' 21' ' ' ALA . 93.1 t -108.42 111.42 35.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 75.450000000000003 111.144 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.538 ' HE1' HD12 ' B' ' 17' ' ' LEU . 10.3 m-30 -102.88 104.61 14.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 73.420000000000002 110.903 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 58.81 91.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 75.519999999999996 110.865 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.534 ' HB2' ' CG1' ' B' ' 18' ' ' VAL . . . -117.93 143.89 45.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 74.230000000000004 111.083 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 18.6 t0 52.49 72.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 73.25 110.878 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.589 HG22 ' H ' ' B' ' 26' ' ' SER . 8.1 p -113.54 127.94 70.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 75.040000000000006 111.115 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.13 -34.35 46.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.795 -0.717 . . . . 60.020000000000003 112.472 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.589 ' H ' HG22 ' B' ' 24' ' ' VAL . 0.4 OUTLIER -179.59 140.51 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.91 0.386 . . . . 63.530000000000001 110.835 -179.742 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -99.18 102.01 13.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 71.340000000000003 110.892 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.13 159.57 19.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 73.099999999999994 110.919 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.34 -133.15 51.45 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.745 -0.741 . . . . 63.219999999999999 112.468 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.667 ' HB2' ' CE2' ' G' ' 4' ' ' PHE . . . -99.31 112.21 24.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.782 0.325 . . . . 74.140000000000001 111.087 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.777 HG13 HG22 ' C' ' 31' ' ' ILE . 0.0 OUTLIER -118.77 114.13 43.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 50.109999999999999 111.121 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.411 ' O ' ' HA ' ' A' ' 32' ' ' ILE . 3.4 mt -131.35 118.33 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 61.520000000000003 111.128 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.42 -49.12 20.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 44.100000000000001 112.544 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.803 ' N ' HD13 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -157.93 154.08 27.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.759 0.314 . . . . 75.25 110.979 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 8.8 mtp -128.69 121.49 28.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 75.319999999999993 110.895 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.647 HG21 HG11 ' G' ' 36' ' ' VAL . 90.5 t -136.3 114.0 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 74.439999999999998 111.14 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.78 17.51 42.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 42.409999999999997 112.483 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.71 -174.8 23.05 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.723 -0.751 . . . . 51.240000000000002 112.471 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.921 HG13 HG23 ' C' ' 39' ' ' VAL . 13.3 p -156.13 151.07 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 70.310000000000002 111.147 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.725 HG22 ' HA ' ' A' ' 40' ' ' VAL . 14.5 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 61.409999999999997 111.136 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.803 0.335 . . . . 73.409999999999997 110.833 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.55 79.73 1.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 62.020000000000003 111.132 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 -52.93 -31.12 38.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 74.129999999999995 110.93 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . 0.61 ' CE2' ' HB2' ' H' ' 30' ' ' ALA . 3.1 m-85 -152.69 113.1 4.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 72.530000000000001 110.925 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -134.62 108.96 8.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 74.439999999999998 110.846 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.01 130.84 55.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 72.209999999999994 110.866 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -135.64 102.15 5.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 73.349999999999994 110.827 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' B' ' 8' ' ' SER . 2.8 p -156.23 127.18 6.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 72.299999999999997 110.864 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.8 -27.16 12.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 65.519999999999996 112.499 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.82 107.12 3.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.864 0.364 . . . . 71.549999999999997 110.974 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -107.58 119.93 40.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 72.430000000000007 110.909 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.596 HG23 HG13 ' D' ' 12' ' ' VAL . 3.7 p -136.39 126.71 40.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 74.340000000000003 111.128 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -122.76 113.01 18.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 70.530000000000001 110.873 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -115.48 125.76 53.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 75.140000000000001 110.824 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -125.48 132.52 52.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 74.420000000000002 110.938 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.515 ' O ' HD22 ' C' ' 17' ' ' LEU . 0.1 OUTLIER -129.02 119.06 23.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 45.329999999999998 110.915 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.658 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.2 mm? -123.27 110.05 14.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 72.230000000000004 110.957 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' C' ' 21' ' ' ALA . 93.9 t -107.98 111.18 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 54.399999999999999 111.081 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.543 ' HE1' HD12 ' C' ' 17' ' ' LEU . 8.5 m-30 -102.6 104.4 14.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 74.319999999999993 110.867 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 56.42 91.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 75.5 110.882 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 0.479 ' HB2' ' CG1' ' C' ' 18' ' ' VAL . . . -118.77 144.06 46.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 64.530000000000001 111.051 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 18.6 t0 52.82 72.56 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 64.439999999999998 110.852 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.601 HG22 ' H ' ' C' ' 26' ' ' SER . 8.0 p -113.91 127.75 71.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 51.539999999999999 111.158 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.63 -33.86 42.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 75.340000000000003 112.503 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.601 ' H ' HG22 ' C' ' 24' ' ' VAL . 0.4 OUTLIER -179.34 139.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.352 . . . . 70.230000000000004 110.884 -179.756 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -99.17 100.65 11.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 55.240000000000002 110.848 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.34 159.74 19.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 73.400000000000006 110.883 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.26 -131.49 52.08 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 31.010000000000002 112.49 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.645 ' HB2' ' CE2' ' H' ' 4' ' ' PHE . . . -99.69 112.09 24.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.749 0.309 . . . . 63.310000000000002 111.078 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.815 HG13 HG22 ' D' ' 31' ' ' ILE . 0.0 OUTLIER -116.71 111.93 37.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 73.140000000000001 111.118 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.61 117.84 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 73.25 111.102 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.23 -49.04 31.97 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.676 -0.773 . . . . 71.239999999999995 112.51 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.814 ' N ' HD13 ' C' ' 34' ' ' LEU . 0.0 OUTLIER -156.81 152.93 27.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 72.310000000000002 110.931 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 11.3 mtp -128.37 119.79 25.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 74.200000000000003 110.868 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.664 HG11 HG21 ' H' ' 36' ' ' VAL . 91.0 t -137.3 113.93 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 64.209999999999994 111.12 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.9 18.19 38.97 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 71.219999999999999 112.451 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -105.73 -174.49 23.86 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 44.450000000000003 112.49 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.921 HG23 HG13 ' B' ' 39' ' ' VAL . 12.0 p -156.32 152.1 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 65.450000000000003 111.118 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.69 HG22 ' HA ' ' B' ' 40' ' ' VAL . 14.0 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 62.32 111.178 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.802 0.334 . . . . 75.0 110.853 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.99 79.78 1.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 74.109999999999999 111.121 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 3' ' ' GLU . . . . . 0.4 ' HA ' ' HA2' ' I' ' 29' ' ' GLY . 17.5 mp0 -52.56 -31.72 37.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 60.439999999999998 110.913 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 4' ' ' PHE . . . . . 0.641 ' CE2' ' HB2' ' I' ' 30' ' ' ALA . 3.1 m-85 -152.35 112.88 4.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 74.299999999999997 110.833 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -133.11 108.57 8.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 71.239999999999995 110.913 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.82 129.93 56.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 65.019999999999996 110.889 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -134.21 101.93 5.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 54.32 110.899 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' C' ' 8' ' ' SER . 2.8 p -156.27 127.24 6.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 54.350000000000001 110.871 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.9 -26.76 19.28 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.71 -0.757 . . . . 74.409999999999997 112.467 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.96 106.86 3.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.812 0.339 . . . . 54.32 110.942 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -108.23 120.65 42.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 74.430000000000007 110.872 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . 0.623 HG23 HG13 ' E' ' 12' ' ' VAL . 4.2 p -136.42 127.08 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 74.099999999999994 111.142 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -122.03 113.08 19.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 75.409999999999997 110.853 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -115.23 125.59 53.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 72.150000000000006 110.871 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -127.0 132.76 50.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 73.25 110.897 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . 0.557 ' O ' HD22 ' D' ' 17' ' ' LEU . 0.1 OUTLIER -126.74 120.65 29.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 75.129999999999995 110.899 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.612 ' HB2' HD13 ' E' ' 17' ' ' LEU . 4.2 mm? -124.75 108.91 12.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 75.239999999999995 110.903 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.48 ' CG1' ' HB2' ' D' ' 21' ' ' ALA . 92.6 t -108.03 111.5 36.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 71.200000000000003 111.125 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.529 ' HE1' HD12 ' D' ' 17' ' ' LEU . 7.9 m-30 -102.22 102.8 13.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 75.340000000000003 110.867 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 56.87 91.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 74.409999999999997 110.895 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . 0.48 ' HB2' ' CG1' ' D' ' 18' ' ' VAL . . . -118.89 144.28 46.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 54.439999999999998 111.064 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 18.8 t0 52.9 72.77 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 71.549999999999997 110.854 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.594 HG22 ' H ' ' D' ' 26' ' ' SER . 8.2 p -115.16 127.6 72.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 52.119999999999997 111.138 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.5 -33.76 48.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 71.409999999999997 112.484 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . 0.594 ' H ' HG22 ' D' ' 24' ' ' VAL . 0.4 OUTLIER -179.23 139.65 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.893 0.378 . . . . 55.119999999999997 110.879 -179.753 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.457 ' CG ' HG21 ' D' ' 31' ' ' ILE . 17.2 m-20 -99.47 100.64 11.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 73.439999999999998 110.906 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.06 160.28 19.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 74.400000000000006 110.886 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.76 -131.27 51.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.795 -0.717 . . . . 53.340000000000003 112.455 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.647 ' HB2' ' CE2' ' I' ' 4' ' ' PHE . . . -99.03 111.26 23.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.322 . . . . 33.130000000000003 111.117 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.815 HG22 HG13 ' C' ' 31' ' ' ILE . 0.0 OUTLIER -114.04 111.41 35.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 63.299999999999997 111.144 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.5 117.55 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 53.520000000000003 111.128 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . 0.471 ' C ' HD13 ' D' ' 34' ' ' LEU . . . -50.66 -49.73 39.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.762 . . . . 74.329999999999998 112.5 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.811 ' N ' HD13 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -154.62 151.86 29.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 74.5 110.96 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 11.9 mtp -129.02 118.65 22.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 73.099999999999994 110.884 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.643 HG11 HG21 ' I' ' 36' ' ' VAL . 84.4 t -138.1 112.73 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 55.43 111.084 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.75 17.69 43.14 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.749 . . . . 41.340000000000003 112.478 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.26 -174.32 26.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.666 -0.778 . . . . 64.530000000000001 112.491 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.864 HG23 HG13 ' C' ' 39' ' ' VAL . 13.2 p -156.54 151.03 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 60.229999999999997 111.167 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.678 HG22 ' HA ' ' C' ' 40' ' ' VAL . 15.1 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 74.150000000000006 111.141 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.832 0.349 . . . . 73.129999999999995 110.844 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.98 79.91 1.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 74.049999999999997 111.055 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 3' ' ' GLU . . . . . 0.421 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . 17.6 mp0 -52.6 -32.17 40.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 72.409999999999997 110.848 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 4' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' J' ' 30' ' ' ALA . 2.9 m-85 -151.65 114.3 4.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 65.25 110.841 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -132.61 107.37 8.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 73.329999999999998 110.896 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.35 127.2 56.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 72.319999999999993 110.869 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -130.37 101.07 5.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 72.010000000000005 110.885 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -156.75 127.62 6.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 74.400000000000006 110.841 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.84 -25.04 43.55 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.75 . . . . 72.540000000000006 112.494 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.34 103.77 3.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 75.109999999999999 110.922 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -109.36 120.98 44.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 61.25 110.862 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 12' ' ' VAL . . . . . 0.623 HG13 HG23 ' D' ' 12' ' ' VAL . 5.5 p -136.28 128.75 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 74.430000000000007 111.137 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -120.68 113.63 20.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 72.040000000000006 110.884 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -114.15 126.91 55.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 73.109999999999999 110.875 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -130.06 133.14 46.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 53.200000000000003 110.922 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . 0.613 ' O ' HD22 ' E' ' 17' ' ' LEU . 0.1 OUTLIER -127.71 120.44 27.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 62.219999999999999 110.906 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.613 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.0 mm? -125.71 112.96 16.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 64.230000000000004 110.897 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 87.9 t -107.77 113.05 42.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 74.349999999999994 111.153 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.526 ' HE1' HD12 ' E' ' 17' ' ' LEU . 9.3 m-30 -102.37 98.82 8.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 74.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 53.79 90.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 73.219999999999999 110.831 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.6 144.86 45.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 64.030000000000001 111.11 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 19.0 t0 52.7 72.35 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 72.409999999999997 110.882 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.605 HG22 ' H ' ' E' ' 26' ' ' SER . 7.7 p -113.87 126.67 71.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 74.409999999999997 111.121 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.6 -33.59 34.0 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.691 -0.766 . . . . 74.519999999999996 112.514 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . 0.605 ' H ' HG22 ' E' ' 24' ' ' VAL . 0.4 OUTLIER -179.56 138.27 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 74.25 110.907 -179.743 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.509 ' CG ' HG21 ' E' ' 31' ' ' ILE . 24.7 m-20 -99.14 99.7 10.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 63.549999999999997 110.925 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.28 160.27 19.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 73.310000000000002 110.873 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.45 -133.38 51.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 55.43 112.517 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.622 ' HB2' ' CZ ' ' J' ' 4' ' ' PHE . . . -95.49 112.35 24.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.743 0.306 . . . . 62.219999999999999 111.075 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.736 HG22 HG13 ' D' ' 31' ' ' ILE . 0.0 OUTLIER -112.8 111.94 38.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 72.120000000000005 111.151 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.39 114.6 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 63.039999999999999 111.155 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . 0.563 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -50.89 -47.55 47.46 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.734 -0.746 . . . . 51.140000000000001 112.475 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.769 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -153.99 152.02 30.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.336 . . . . 74.430000000000007 110.94 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.407 ' H ' HD22 ' D' ' 34' ' ' LEU . 10.7 mtp -130.46 117.26 19.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 62.450000000000003 110.848 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.565 HG11 HG21 ' J' ' 36' ' ' VAL . 95.6 t -141.44 111.31 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 74.030000000000001 111.151 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.47 17.96 42.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 75.200000000000003 112.508 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.02 -173.49 25.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 51.340000000000003 112.471 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.832 HG23 HG13 ' D' ' 39' ' ' VAL . 11.8 p -156.28 151.86 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.871 0.367 . . . . 72.409999999999997 111.136 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.617 HG22 ' HA ' ' D' ' 40' ' ' VAL . 17.8 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 71.25 111.125 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.857 0.361 . . . . 71.530000000000001 110.875 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.95 78.32 1.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 74.329999999999998 111.133 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -53.51 -33.77 55.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 63.140000000000001 110.913 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 4' ' ' PHE . . . . . 0.747 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 2.2 m-85 -150.81 112.95 4.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 74.019999999999996 110.884 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -138.21 108.31 6.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 75.010000000000005 110.896 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.92 130.13 55.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 75.400000000000006 110.885 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -135.63 101.14 4.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 73.549999999999997 110.879 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' G' ' 8' ' ' SER . 2.8 p -155.92 127.5 7.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 43.039999999999999 110.876 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.17 -26.61 13.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 71.329999999999998 112.476 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -145.24 109.19 4.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.805 0.336 . . . . 73.150000000000006 110.937 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -109.35 119.5 39.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 75.510000000000005 110.844 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.59 HG23 HG13 ' G' ' 12' ' ' VAL . 4.2 p -138.96 126.15 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 44.020000000000003 111.113 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -124.82 113.13 17.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 65.340000000000003 110.904 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -116.98 125.84 52.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 75.349999999999994 110.843 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -124.8 132.79 53.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 71.049999999999997 110.882 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . 0.511 ' O ' HD22 ' F' ' 17' ' ' LEU . 0.1 OUTLIER -135.15 118.18 16.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 74.030000000000001 110.946 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.594 ' HB2' HD13 ' G' ' 17' ' ' LEU . 3.7 mm? -122.53 114.19 20.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 71.109999999999999 110.937 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.571 ' CG1' ' HB2' ' F' ' 21' ' ' ALA . 88.2 t -108.95 113.15 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 42.310000000000002 111.12 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.536 ' HE1' HD12 ' F' ' 17' ' ' LEU . 12.9 m-30 -103.16 106.22 16.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 74.430000000000007 110.892 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 58.78 91.58 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 74.209999999999994 110.828 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . 0.571 ' HB2' ' CG1' ' F' ' 18' ' ' VAL . . . -117.44 144.0 45.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 42.340000000000003 111.11 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 18.7 t0 52.75 72.04 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 63.25 110.931 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.561 HG22 ' H ' ' F' ' 26' ' ' SER . 8.1 p -112.53 129.27 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 70.219999999999999 111.105 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.03 -35.78 49.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 63.130000000000003 112.493 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . 0.561 ' H ' HG22 ' F' ' 24' ' ' VAL . 0.4 OUTLIER -179.84 138.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.363 . . . . 61.009999999999998 110.846 -179.74 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -97.9 102.26 13.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 71.319999999999993 110.867 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.02 156.84 22.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 64.239999999999995 110.871 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.51 -138.24 48.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 52.130000000000003 112.457 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.727 ' HB2' ' CE1' ' A' ' 4' ' ' PHE . . . -95.21 111.5 23.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.736 0.303 . . . . 62.210000000000001 111.116 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.703 HG13 HG22 ' G' ' 31' ' ' ILE . 0.0 OUTLIER -122.38 117.34 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 71.150000000000006 111.097 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -132.94 117.72 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 73.010000000000005 111.122 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . 0.406 ' HA3' ' HB3' ' F' ' 19' ' ' PHE . . . -42.92 -49.93 6.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 72.540000000000006 112.473 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.789 ' N ' HD13 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -159.58 156.11 27.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 75.409999999999997 110.911 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 13.6 mtp -131.17 122.46 26.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 64.099999999999994 110.852 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.573 HG11 HG21 ' A' ' 36' ' ' VAL . 70.8 t -134.17 114.46 19.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 75.239999999999995 111.165 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.03 16.64 53.33 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.746 . . . . 72.219999999999999 112.477 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.89 -174.4 22.86 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 52.219999999999999 112.493 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.888 HG13 HG23 ' G' ' 39' ' ' VAL . 12.4 p -155.26 150.23 11.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.933 0.397 . . . . 61.409999999999997 111.119 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.705 ' HA ' HG22 ' G' ' 40' ' ' VAL . 21.0 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 63.020000000000003 111.162 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.798 0.332 . . . . 71.120000000000005 110.85 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.75 78.18 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 60.210000000000001 111.128 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -53.8 -34.19 58.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 75.400000000000006 110.889 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 4' ' ' PHE . . . . . 0.667 ' CE2' ' HB2' ' B' ' 30' ' ' ALA . 3.1 m-85 -154.38 113.48 3.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 75.239999999999995 110.877 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -135.73 108.92 7.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 74.030000000000001 110.841 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.88 130.5 55.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 75.209999999999994 110.851 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -135.57 101.66 4.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 74.420000000000002 110.867 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' H' ' 8' ' ' SER . 2.8 p -156.68 126.89 6.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 74.010000000000005 110.88 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.11 -26.87 13.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 33.009999999999998 112.482 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -146.93 106.96 3.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.828 0.347 . . . . 73.150000000000006 110.944 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -107.63 119.75 40.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 64.019999999999996 110.843 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . 0.59 HG13 HG23 ' F' ' 12' ' ' VAL . 4.1 p -137.16 126.44 36.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 73.299999999999997 111.112 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -123.99 113.09 17.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 75.329999999999998 110.857 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -116.33 125.74 52.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 64.430000000000007 110.858 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -123.76 132.93 53.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 75.219999999999999 110.895 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . 0.504 ' O ' HD22 ' G' ' 17' ' ' LEU . 0.1 OUTLIER -131.23 117.72 19.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 73.319999999999993 110.904 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.678 ' HB2' HD13 ' H' ' 17' ' ' LEU . 3.9 mm? -122.18 111.56 17.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 73.420000000000002 110.897 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.547 ' CG1' ' HB2' ' G' ' 21' ' ' ALA . 92.2 t -108.46 111.1 34.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 74.150000000000006 111.166 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.532 ' HE1' HD12 ' G' ' 17' ' ' LEU . 10.3 m-30 -102.52 104.31 14.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 71.420000000000002 110.915 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 58.83 91.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 62.0 110.823 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . 0.547 ' HB2' ' CG1' ' G' ' 18' ' ' VAL . . . -117.41 144.37 45.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 74.519999999999996 111.1 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 18.6 t0 52.38 72.78 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.540000000000006 110.909 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.583 HG22 ' H ' ' G' ' 26' ' ' SER . 8.0 p -113.06 127.65 70.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 54.329999999999998 111.161 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.79 -34.22 50.61 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.688 -0.768 . . . . 64.510000000000005 112.452 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . 0.583 ' H ' HG22 ' G' ' 24' ' ' VAL . 0.4 OUTLIER -178.56 139.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 71.299999999999997 110.882 -179.74 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -99.51 100.28 11.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 73.219999999999999 110.867 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.78 160.45 18.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 73.340000000000003 110.864 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.67 -134.05 51.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 61.340000000000003 112.508 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.677 ' HB2' ' CE2' ' B' ' 4' ' ' PHE . . . -98.46 112.21 24.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.766 0.317 . . . . 72.310000000000002 111.133 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.781 HG13 HG22 ' H' ' 31' ' ' ILE . 0.0 OUTLIER -118.87 113.76 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 74.310000000000002 111.137 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.91 118.03 40.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 73.109999999999999 111.155 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.48 -49.08 21.36 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 74.439999999999998 112.532 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.809 ' N ' HD13 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -158.24 153.99 26.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 73.319999999999993 110.89 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 8.7 mtp -128.31 120.98 28.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 74.400000000000006 110.867 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.647 HG11 HG21 ' B' ' 36' ' ' VAL . 96.4 t -136.18 113.6 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 73.140000000000001 111.137 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.89 18.01 45.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 75.519999999999996 112.484 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.26 -174.67 23.42 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 44.149999999999999 112.533 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.916 HG13 HG23 ' H' ' 39' ' ' VAL . 14.5 p -156.93 151.23 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 61.229999999999997 111.152 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.705 HG22 ' HA ' ' F' ' 40' ' ' VAL . 16.4 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 72.299999999999997 111.099 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.801 0.334 . . . . 43.25 110.902 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.35 79.04 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 73.319999999999993 111.064 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -52.46 -33.73 45.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 63.149999999999999 110.912 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 4' ' ' PHE . . . . . 0.645 ' CE2' ' HB2' ' C' ' 30' ' ' ALA . 3.2 m-85 -153.4 113.92 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 73.319999999999993 110.908 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -134.8 108.92 8.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 64.209999999999994 110.853 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.83 130.17 55.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 55.520000000000003 110.93 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -134.96 101.87 5.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 75.439999999999998 110.84 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' G' ' 8' ' ' SER . 2.8 p -156.42 127.19 6.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 72.409999999999997 110.845 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.2 -26.99 13.96 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 64.030000000000001 112.481 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.8 106.62 3.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.882 0.372 . . . . 63.43 110.888 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -106.99 119.85 40.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 65.310000000000002 110.868 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 0.588 HG23 HG13 ' I' ' 12' ' ' VAL . 4.1 p -136.84 126.59 38.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 72.430000000000007 111.172 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -123.79 113.22 18.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 72.010000000000005 110.895 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -115.81 125.36 52.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 72.129999999999995 110.809 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -124.31 132.68 53.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 63.350000000000001 110.851 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . 0.513 ' O ' HD22 ' H' ' 17' ' ' LEU . 0.1 OUTLIER -128.8 118.86 23.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 70.25 110.904 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.678 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.2 mm? -123.13 109.92 14.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 74.019999999999996 110.897 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.496 ' CG1' ' HB2' ' H' ' 21' ' ' ALA . 92.0 t -107.9 110.94 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 71.120000000000005 111.152 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.527 ' HE1' HD12 ' H' ' 17' ' ' LEU . 8.7 m-30 -102.3 104.01 14.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 71.25 110.882 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 57.23 91.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 60.049999999999997 110.828 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . 0.496 ' HB2' ' CG1' ' H' ' 18' ' ' VAL . . . -118.36 144.15 46.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 54.409999999999997 111.091 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 18.7 t0 52.64 72.78 0.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 74.430000000000007 110.853 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.595 HG22 ' H ' ' H' ' 26' ' ' SER . 7.7 p -113.43 127.45 70.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 75.510000000000005 111.117 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.76 -33.74 49.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 63.229999999999997 112.457 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . 0.595 ' H ' HG22 ' H' ' 24' ' ' VAL . 0.4 OUTLIER -178.35 138.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 62.439999999999998 110.9 -179.731 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -99.67 99.6 10.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 74.129999999999995 110.86 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.93 160.96 18.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 74.239999999999995 110.91 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.8 -132.79 52.73 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 74.219999999999999 112.52 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . 0.61 ' HB2' ' CE2' ' C' ' 4' ' ' PHE . . . -98.88 111.73 24.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.743 0.306 . . . . 73.230000000000004 111.093 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.818 HG13 HG22 ' I' ' 31' ' ' ILE . 0.0 OUTLIER -116.02 111.97 37.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 72.349999999999994 111.124 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.46 117.27 38.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 75.5 111.128 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . 0.41 ' C ' HD13 ' H' ' 34' ' ' LEU . . . -48.99 -49.27 29.88 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 65.540000000000006 112.449 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.815 ' N ' HD13 ' H' ' 34' ' ' LEU . 0.0 OUTLIER -156.62 152.76 27.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.777 0.322 . . . . 65.420000000000002 110.936 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 10.5 mtp -128.03 119.3 25.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 62.539999999999999 110.88 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.664 HG21 HG11 ' C' ' 36' ' ' VAL . 93.6 t -137.18 113.69 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 55.009999999999998 111.149 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.45 17.69 40.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 53.549999999999997 112.517 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.81 -174.71 24.69 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 61.140000000000001 112.45 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.916 HG23 HG13 ' G' ' 39' ' ' VAL . 12.4 p -157.08 152.3 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 53.149999999999999 111.114 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . 0.697 HG22 ' HA ' ' G' ' 40' ' ' VAL . 14.4 m . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 74.120000000000005 111.15 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.881 0.372 . . . . 74.510000000000005 110.903 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.02 79.08 1.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 71.450000000000003 111.101 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -52.97 -33.21 50.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 73.239999999999995 110.887 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 4' ' ' PHE . . . . . 0.647 ' CE2' ' HB2' ' D' ' 30' ' ' ALA . 3.1 m-85 -151.88 113.92 4.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 75.239999999999995 110.854 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -133.75 108.52 8.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 73.030000000000001 110.836 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.69 130.31 55.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 65.409999999999997 110.865 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -134.53 101.74 5.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 71.120000000000005 110.847 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' H' ' 8' ' ' SER . 2.8 p -156.5 126.98 6.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 74.310000000000002 110.883 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.6 -26.93 17.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 63.020000000000003 112.5 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.73 106.76 3.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.814 0.34 . . . . 74.040000000000006 110.979 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -107.71 120.09 41.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 75.129999999999995 110.876 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 12' ' ' VAL . . . . . 0.608 HG23 HG13 ' J' ' 12' ' ' VAL . 4.1 p -136.69 126.42 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 72.010000000000005 111.139 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -122.95 113.38 19.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 62.539999999999999 110.847 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -115.25 125.76 53.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 74.140000000000001 110.849 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -125.84 132.76 52.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 62.200000000000003 110.896 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . 0.573 ' O ' HD22 ' I' ' 17' ' ' LEU . 0.1 OUTLIER -126.99 120.37 28.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 73.120000000000005 110.911 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.628 HD13 ' HB2' ' H' ' 17' ' ' LEU . 4.2 mm? -124.9 109.44 13.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 63.149999999999999 110.892 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . 0.492 ' CG1' ' HB2' ' I' ' 21' ' ' ALA . 91.2 t -107.95 111.82 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 72.439999999999998 111.13 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . 0.513 ' HE1' HD12 ' I' ' 17' ' ' LEU . 8.1 m-30 -102.17 102.9 13.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 74.310000000000002 110.855 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 56.45 91.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 74.5 110.857 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . 0.492 ' HB2' ' CG1' ' I' ' 18' ' ' VAL . . . -118.42 144.35 46.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 70.430000000000007 111.077 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 18.7 t0 53.0 72.9 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 72.319999999999993 110.868 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.595 HG22 ' H ' ' I' ' 26' ' ' SER . 7.6 p -114.5 126.97 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 64.049999999999997 111.158 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.88 -33.53 50.08 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 35.439999999999998 112.497 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . 0.595 ' H ' HG22 ' I' ' 24' ' ' VAL . 0.4 OUTLIER -178.43 138.16 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 55.340000000000003 110.864 -179.73 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . 0.427 ' CG ' HG21 ' I' ' 31' ' ' ILE . 16.5 m-20 -99.46 99.75 10.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 74.400000000000006 110.906 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.8 160.9 18.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 71.340000000000003 110.886 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' D' ' 3' ' ' GLU . . . 58.94 -132.33 52.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 73.129999999999995 112.499 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.641 ' HB2' ' CE2' ' D' ' 4' ' ' PHE . . . -98.61 110.98 23.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.739 0.304 . . . . 71.340000000000003 111.132 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.818 HG22 HG13 ' H' ' 31' ' ' ILE . 0.0 OUTLIER -113.44 111.58 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 74.340000000000003 111.102 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -130.27 116.74 37.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 74.420000000000002 111.162 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . 0.478 ' C ' HD13 ' I' ' 34' ' ' LEU . . . -50.03 -49.98 34.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 61.299999999999997 112.501 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.785 ' N ' HD13 ' I' ' 34' ' ' LEU . 0.0 OUTLIER -154.73 151.84 29.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.843 0.354 . . . . 74.209999999999994 110.918 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 12.0 mtp -128.71 118.36 22.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.030000000000001 110.901 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.643 HG21 HG11 ' D' ' 36' ' ' VAL . 83.9 t -137.81 112.91 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 73.439999999999998 111.167 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.46 17.73 41.21 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 61.439999999999998 112.513 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.83 -174.29 26.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.794 -0.717 . . . . 22.219999999999999 112.486 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 0.875 HG23 HG13 ' H' ' 39' ' ' VAL . 12.7 p -157.2 151.97 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 74.019999999999996 111.152 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . 0.673 HG22 ' HA ' ' H' ' 40' ' ' VAL . 14.9 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 70.219999999999999 111.139 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.826 0.346 . . . . 64.209999999999994 110.905 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.55 79.0 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 61.119999999999997 111.123 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -52.6 -33.35 45.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 71.439999999999998 110.916 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' J' J ' 4' ' ' PHE . . . . . 0.622 ' CZ ' ' HB2' ' E' ' 30' ' ' ALA . 2.8 m-85 -151.3 114.69 4.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 53.240000000000002 110.888 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -133.44 107.99 8.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 75.430000000000007 110.824 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.21 127.25 56.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 72.239999999999995 110.896 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -130.31 101.33 5.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 73.530000000000001 110.921 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -156.93 127.6 6.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 72.230000000000004 110.878 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.33 -25.96 42.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 64.409999999999997 112.476 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.35 104.37 3.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 64.129999999999995 110.916 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -108.93 121.23 44.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 74.209999999999994 110.905 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.608 HG13 HG23 ' I' ' 12' ' ' VAL . 5.0 p -137.02 127.12 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 63.310000000000002 111.133 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -121.16 113.57 20.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 52.119999999999997 110.838 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -114.24 127.12 55.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 73.430000000000007 110.911 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -128.3 133.09 48.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 71.430000000000007 110.942 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . 0.615 ' O ' HD22 ' J' ' 17' ' ' LEU . 0.1 OUTLIER -127.11 120.27 28.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 75.530000000000001 110.889 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.615 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.1 mm? -125.78 112.26 15.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 71.129999999999995 110.879 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 91.9 t -107.55 113.17 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 65.340000000000003 111.11 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.533 ' HE1' HD12 ' J' ' 17' ' ' LEU . 9.1 m-30 -102.28 99.29 9.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 75.510000000000005 110.834 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 54.13 90.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 73.099999999999994 110.884 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.36 145.27 45.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 71.310000000000002 111.068 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 18.9 t0 52.25 72.49 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 73.540000000000006 110.901 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.596 HG22 ' H ' ' J' ' 26' ' ' SER . 7.8 p -114.13 126.26 71.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 45.109999999999999 111.145 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.39 -33.66 32.55 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 74.140000000000001 112.447 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . 0.596 ' H ' HG22 ' J' ' 24' ' ' VAL . 0.4 OUTLIER -179.47 137.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.949 0.404 . . . . 64.219999999999999 110.812 -179.752 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . 0.481 ' CG ' HG21 ' J' ' 31' ' ' ILE . 26.6 m-20 -98.95 99.09 10.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 71.200000000000003 110.83 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.08 160.39 18.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 73.120000000000005 110.895 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . 0.421 ' HA2' ' HA ' ' E' ' 3' ' ' GLU . . . 60.14 -134.84 50.51 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 41.240000000000002 112.438 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 0.589 ' HB2' ' CZ ' ' E' ' 4' ' ' PHE . . . -94.46 111.65 23.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 71.329999999999998 111.082 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.758 HG22 HG13 ' I' ' 31' ' ' ILE . 0.0 OUTLIER -112.36 112.76 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 71.230000000000004 111.098 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.52 114.25 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 73.5 111.145 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . 0.566 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -50.64 -47.66 45.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.758 -0.734 . . . . 71.200000000000003 112.494 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.775 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -154.35 152.05 29.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.847 0.356 . . . . 74.519999999999996 110.892 -179.905 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 10.4 mtp -130.27 117.05 19.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 75.450000000000003 110.907 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.565 HG21 HG11 ' E' ' 36' ' ' VAL . 91.7 t -141.28 111.7 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 72.540000000000006 111.139 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.29 18.18 41.68 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.762 -0.733 . . . . 64.230000000000004 112.514 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.44 -173.77 26.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.69 -0.766 . . . . 62.409999999999997 112.503 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.822 HG23 HG13 ' I' ' 39' ' ' VAL . 12.3 p -156.6 151.82 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 61.219999999999999 111.188 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.645 HG22 ' HA ' ' I' ' 40' ' ' VAL . 17.5 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 72.230000000000004 111.084 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.788 0.328 . . . . 73.129999999999995 110.893 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.78 89.06 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 72.329999999999998 111.081 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -52.01 -31.21 28.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 44.240000000000002 110.834 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.736 ' CE2' ' HB2' ' F' ' 30' ' ' ALA . 1.6 m-85 -157.64 113.87 2.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 71.109999999999999 110.86 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -133.54 108.72 8.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 72.430000000000007 110.834 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -110.64 125.65 53.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 62.219999999999999 110.844 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -132.12 101.69 5.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 71.319999999999993 110.833 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' B' ' 8' ' ' SER . 21.9 m -148.15 176.56 10.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 70.230000000000004 110.85 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.77 -8.97 38.75 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.821 -0.704 . . . . 61.030000000000001 112.497 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -172.36 110.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 73.400000000000006 110.903 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -101.29 122.43 43.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 72.319999999999993 110.874 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . 0.56 HG12 ' CD2' ' A' ' 14' ' ' HIS . 20.7 t -138.79 113.8 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 52.240000000000002 111.159 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.4 m170 -108.72 133.85 52.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 72.349999999999994 110.836 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.56 ' CD2' HG12 ' A' ' 12' ' ' VAL . 18.0 m-70 -137.79 112.61 8.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 62.200000000000003 110.878 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.95 133.95 49.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 63.130000000000003 110.901 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -127.97 117.41 21.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 73.150000000000006 110.888 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.498 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.0 mm? -118.21 111.08 18.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 75.140000000000001 110.944 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.732 HG12 ' CG2' ' B' ' 18' ' ' VAL . 35.8 m -115.89 120.48 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 72.340000000000003 111.152 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.41 ' HD2' HD12 ' B' ' 34' ' ' LEU . 11.0 m-85 -111.72 100.97 9.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 51.210000000000001 110.918 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 62.3 65.95 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 72.409999999999997 110.924 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.08 133.1 42.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 73.519999999999996 111.106 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 61.21 77.91 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 75.109999999999999 110.894 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.418 HG11 ' ND2' ' A' ' 27' ' ' ASN . 40.8 t -112.25 147.87 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 75.230000000000004 111.157 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.93 -47.31 9.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.789 -0.72 . . . . 71.319999999999993 112.477 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -161.43 121.55 2.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.882 0.373 . . . . 64.329999999999998 110.866 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.418 ' ND2' HG11 ' A' ' 24' ' ' VAL . 18.7 m120 -96.94 100.15 11.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 75.140000000000001 110.853 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.46 139.76 49.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 72.530000000000001 110.897 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.78 -140.75 22.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 61.310000000000002 112.491 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.724 ' HB2' ' CE2' ' F' ' 4' ' ' PHE . . . -102.2 113.85 27.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.341 . . . . 71.450000000000003 111.053 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.535 HD13 ' C ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -128.23 122.66 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 54.439999999999998 111.131 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -136.05 115.03 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 51.140000000000001 111.129 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.76 -45.67 8.94 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 64.209999999999994 112.525 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.816 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -168.54 146.61 4.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 73.439999999999998 110.906 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.3 ttp -129.78 127.2 39.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 74.120000000000005 110.904 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.797 HG11 HG21 ' F' ' 36' ' ' VAL . 62.6 t -132.42 114.02 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 63.340000000000003 111.154 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.59 6.07 83.98 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.731 . . . . 52.509999999999998 112.483 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.35 -170.17 43.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 64.340000000000003 112.499 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.919 HG13 HG23 ' B' ' 39' ' ' VAL . 7.1 p -168.71 146.16 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.356 . . . . 74.340000000000003 111.175 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.43 HG12 HG22 ' B' ' 40' ' ' VAL . 34.0 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 75.530000000000001 111.082 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.78 0.324 . . . . 73.519999999999996 110.875 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.82 88.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 52.350000000000001 111.111 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -52.91 -30.27 33.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 73.230000000000004 110.886 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.701 ' CE2' ' HB2' ' G' ' 30' ' ' ALA . 2.0 m-85 -158.31 113.64 2.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 71.129999999999995 110.887 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.6 tpt85 -130.86 108.74 10.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 75.540000000000006 110.842 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -109.89 125.64 53.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 73.129999999999995 110.879 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -132.48 101.21 5.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 75.310000000000002 110.915 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' C' ' 8' ' ' SER . 21.9 m -147.68 176.06 10.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 71.099999999999994 110.842 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.72 -8.89 39.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 63.109999999999999 112.468 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -172.36 109.81 0.23 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.827 0.346 . . . . 73.510000000000005 110.976 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -99.95 121.58 41.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 74.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.566 HG12 ' CD2' ' B' ' 14' ' ' HIS . 21.3 t -137.68 113.99 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 73.140000000000001 111.168 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -108.94 133.54 52.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 63.409999999999997 110.862 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . 0.566 ' CD2' HG12 ' B' ' 12' ' ' VAL . 18.3 m-70 -136.38 113.33 10.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 62.420000000000002 110.892 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.7 133.31 49.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 74.329999999999998 110.946 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.449 ' O ' HD22 ' B' ' 17' ' ' LEU . 7.3 tptm -126.51 117.81 23.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 62.020000000000003 110.908 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.5 ' HB2' HD13 ' C' ' 17' ' ' LEU . 3.6 mm? -120.7 111.44 17.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 74.430000000000007 110.936 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.732 ' CG2' HG12 ' A' ' 18' ' ' VAL . 27.5 m -117.73 119.8 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 65.230000000000004 111.081 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.443 ' CE1' HD12 ' B' ' 17' ' ' LEU . 5.7 m-85 -110.35 101.09 9.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 60.299999999999997 110.873 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 61.71 66.41 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 62.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.63 133.21 41.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 73.030000000000001 111.12 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 60.09 78.51 0.27 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 55.520000000000003 110.871 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 42.5 t -112.43 148.22 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 73.019999999999996 111.109 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.17 -46.78 8.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 74.049999999999997 112.477 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -160.73 121.99 2.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.858 0.361 . . . . 73.519999999999996 110.872 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -97.0 99.86 11.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 73.25 110.881 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.13 143.38 45.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 73.219999999999999 110.896 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.59 -138.82 21.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 53.020000000000003 112.479 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.689 ' HB2' ' CE2' ' G' ' 4' ' ' PHE . . . -102.97 113.28 26.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.825 0.345 . . . . 54.240000000000002 111.075 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.512 HD13 ' C ' ' B' ' 30' ' ' ALA . 0.0 OUTLIER -125.68 120.18 56.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 60.43 111.123 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -134.07 112.31 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 62.030000000000001 111.151 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.75 -44.66 8.64 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 21.23 112.473 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.87 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -165.37 149.08 8.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.79 0.329 . . . . 74.129999999999995 110.949 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.5 ttp -130.77 126.09 35.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 72.340000000000003 110.861 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.859 HG11 HG21 ' G' ' 36' ' ' VAL . 72.5 t -136.12 113.94 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 74.349999999999994 111.174 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.91 7.45 66.19 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 74.239999999999995 112.499 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.01 -170.93 45.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 53.329999999999998 112.495 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.934 HG13 HG23 ' C' ' 39' ' ' VAL . 7.2 p -168.82 145.85 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 62.509999999999998 111.125 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.482 HG12 HG22 ' C' ' 40' ' ' VAL . 33.9 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 74.420000000000002 111.095 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.787 0.327 . . . . 75.120000000000005 110.854 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.73 89.13 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 73.409999999999997 111.085 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . 0.411 ' HA ' ' HA2' ' H' ' 29' ' ' GLY . 4.9 mp0 -52.61 -31.14 35.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 72.230000000000004 110.881 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . 0.659 ' CE2' ' HB2' ' H' ' 30' ' ' ALA . 2.3 m-85 -157.84 113.82 2.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 75.430000000000007 110.892 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -129.75 108.98 10.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 74.120000000000005 110.87 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 35.9 t60 -110.42 124.52 51.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 75.319999999999993 110.873 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -131.36 101.48 5.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 71.329999999999998 110.865 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' B' ' 8' ' ' SER . 22.0 m -147.93 175.71 10.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 75.5 110.863 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.01 -8.62 38.82 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.773 -0.727 . . . . 64.400000000000006 112.477 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -172.18 110.22 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.341 . . . . 72.409999999999997 110.934 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -100.08 121.9 42.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 73.400000000000006 110.917 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.568 HG12 ' CD2' ' C' ' 14' ' ' HIS . 21.4 t -138.1 114.13 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 70.549999999999997 111.144 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 56.9 m170 -109.17 132.98 53.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 75.409999999999997 110.879 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . 0.568 ' CD2' HG12 ' C' ' 12' ' ' VAL . 18.2 m-70 -135.38 113.78 11.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 74.510000000000005 110.83 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.08 133.33 49.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 64.450000000000003 110.902 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.496 ' O ' HD22 ' C' ' 17' ' ' LEU . 7.4 tptm -125.69 117.7 24.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 72.409999999999997 110.892 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.5 HD13 ' HB2' ' B' ' 17' ' ' LEU . 3.9 mm? -122.26 111.15 16.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 75.420000000000002 110.917 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.702 ' CG2' HG12 ' B' ' 18' ' ' VAL . 27.5 m -118.31 119.99 63.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 74.209999999999994 111.163 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.466 ' HE1' HD12 ' C' ' 17' ' ' LEU . 4.0 m-85 -109.2 100.58 9.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 75.209999999999994 110.885 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 61.11 66.89 0.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 74.129999999999995 110.901 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.69 132.62 42.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 71.430000000000007 111.089 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 60.51 78.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 71.420000000000002 110.874 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 41.6 t -112.36 148.54 15.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 52.140000000000001 111.097 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.08 -46.47 8.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.68 -0.771 . . . . 74.450000000000003 112.497 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -160.47 121.74 3.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.874 0.369 . . . . 54.140000000000001 110.825 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -96.76 100.06 11.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 63.240000000000002 110.868 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.49 144.32 45.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 73.129999999999995 110.909 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.33 -138.01 20.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 70.420000000000002 112.535 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.657 ' HB2' ' CE2' ' H' ' 4' ' ' PHE . . . -102.63 113.24 26.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 63.219999999999999 111.114 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.511 HD13 ' C ' ' C' ' 30' ' ' ALA . 0.0 OUTLIER -124.81 119.25 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 73.200000000000003 111.101 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -133.37 113.34 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 73.099999999999994 111.125 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.407 ' HA3' ' HB3' ' C' ' 19' ' ' PHE . . . -47.4 -45.62 22.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 70.420000000000002 112.489 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.888 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -162.46 147.81 12.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.784 0.325 . . . . 71.430000000000007 110.926 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.9 ttp -129.3 124.17 33.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 63.409999999999997 110.841 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.859 HG21 HG11 ' H' ' 36' ' ' VAL . 80.6 t -136.81 113.33 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 61.43 111.105 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.68 8.03 62.62 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.766 -0.731 . . . . 65.409999999999997 112.521 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.97 -171.68 45.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 52.32 112.5 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.934 HG23 HG13 ' B' ' 39' ' ' VAL . 7.2 p -168.39 145.92 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 61.439999999999998 111.158 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.482 HG22 HG12 ' B' ' 40' ' ' VAL . 33.8 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.530000000000001 111.134 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.775 0.321 . . . . 72.340000000000003 110.838 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.2 89.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 71.409999999999997 111.115 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 3' ' ' GLU . . . . . 0.411 ' HA ' ' HA2' ' I' ' 29' ' ' GLY . 4.8 mp0 -52.62 -30.87 33.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 53.43 110.838 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 4' ' ' PHE . . . . . 0.687 ' CE2' ' HB2' ' I' ' 30' ' ' ALA . 2.0 m-85 -157.87 114.01 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 75.010000000000005 110.9 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 4.6 tpt85 -128.68 108.78 10.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 71.5 110.837 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -110.58 123.94 50.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 53.25 110.853 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -130.64 101.42 5.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 74.439999999999998 110.836 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' C' ' 8' ' ' SER . 22.2 m -148.44 174.49 12.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 64.540000000000006 110.841 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.95 -7.85 40.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 54.530000000000001 112.495 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -172.11 110.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 75.510000000000005 110.905 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -100.13 122.02 42.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 70.329999999999998 110.877 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . 0.554 HG12 ' CD2' ' D' ' 14' ' ' HIS . 21.4 t -137.92 114.34 11.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 73.450000000000003 111.147 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -109.36 133.96 52.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.140000000000001 110.853 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . 0.554 ' CD2' HG12 ' D' ' 12' ' ' VAL . 18.3 m-70 -135.86 114.34 11.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 73.340000000000003 110.84 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.64 133.3 48.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 72.239999999999995 110.925 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . 0.54 ' O ' HD22 ' D' ' 17' ' ' LEU . 7.3 tptm -124.88 116.72 22.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 72.209999999999994 110.92 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.54 HD22 ' O ' ' D' ' 16' ' ' LYS . 4.0 mm? -123.73 110.31 14.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 74.420000000000002 110.875 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.686 ' CG2' HG12 ' C' ' 18' ' ' VAL . 30.9 m -118.74 120.89 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 61.130000000000003 111.112 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.475 ' HE1' HD12 ' D' ' 17' ' ' LEU . 2.4 m-85 -108.41 100.49 9.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 64.209999999999994 110.892 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 61.29 67.87 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 73.140000000000001 110.848 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.52 132.69 42.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 50.310000000000002 111.098 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 60.73 78.26 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 64.140000000000001 110.863 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.49 HG11 ' ND2' ' D' ' 27' ' ' ASN . 46.0 t -112.83 147.03 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 73.450000000000003 111.114 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.84 -46.39 8.51 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 43.229999999999997 112.513 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -160.42 121.68 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 53.020000000000003 110.905 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.49 ' ND2' HG11 ' D' ' 24' ' ' VAL . 18.3 m120 -96.57 99.73 11.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 72.109999999999999 110.88 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.28 145.2 43.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 74.400000000000006 110.909 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.04 -137.54 20.07 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 73.319999999999993 112.482 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.66 ' HB2' ' CE2' ' I' ' 4' ' ' PHE . . . -103.31 112.97 26.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 72.430000000000007 111.114 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.508 ' N ' HD13 ' D' ' 31' ' ' ILE . 0.0 OUTLIER -123.29 119.01 56.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 73.219999999999999 111.158 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -131.53 111.92 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 73.140000000000001 111.136 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . 0.431 ' HA3' ' HB3' ' D' ' 19' ' ' PHE . . . -48.08 -43.27 24.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.757 . . . . 72.450000000000003 112.519 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.89 HD22 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -163.27 147.08 10.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 73.519999999999996 110.864 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 3.2 ttp -130.48 122.97 28.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 75.420000000000002 110.907 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.856 HG21 HG11 ' I' ' 36' ' ' VAL . 74.1 t -136.77 113.26 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 54.43 111.104 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.46 8.92 60.48 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 63.340000000000003 112.509 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.55 -172.28 46.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 61.340000000000003 112.522 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.899 HG23 HG13 ' C' ' 39' ' ' VAL . 7.1 p -167.36 146.24 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 70.140000000000001 111.14 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.436 HG22 HG12 ' C' ' 40' ' ' VAL . 34.0 m . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 74.530000000000001 111.079 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.884 0.373 . . . . 73.409999999999997 110.891 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.47 88.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 75.010000000000005 111.068 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 3' ' ' GLU . . . . . 0.417 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . 5.2 mp0 -52.25 -30.89 29.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 60.240000000000002 110.904 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 4' ' ' PHE . . . . . 0.622 ' CE2' ' HB2' ' J' ' 30' ' ' ALA . 2.1 m-85 -157.72 115.0 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 63.140000000000001 110.899 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 tpt85 -128.07 108.17 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 63.32 110.864 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -111.16 123.34 50.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 72.230000000000004 110.887 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -128.82 100.96 5.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 74.150000000000006 110.878 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 22.6 m -150.02 170.88 17.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 63.439999999999998 110.811 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.27 -7.02 44.12 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 53.420000000000002 112.414 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -170.02 108.68 0.38 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.87 0.367 . . . . 74.209999999999994 110.904 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -101.12 121.45 41.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 74.299999999999997 110.872 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 12' ' ' VAL . . . . . 0.561 HG12 ' CD2' ' E' ' 14' ' ' HIS . 21.3 t -137.77 115.57 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 55.210000000000001 111.098 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -108.89 134.26 51.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 75.439999999999998 110.836 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . 0.561 ' CD2' HG12 ' E' ' 12' ' ' VAL . 18.3 m-70 -133.81 113.96 12.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 73.310000000000002 110.843 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.9 133.12 46.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 75.230000000000004 110.901 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . 0.538 ' O ' HD22 ' E' ' 17' ' ' LEU . 7.3 tptm -124.96 115.72 21.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 74.019999999999996 110.934 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.538 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.2 mm? -124.41 110.06 14.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 72.439999999999998 110.912 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.665 ' CG2' HG12 ' D' ' 18' ' ' VAL . 27.5 m -119.38 124.35 72.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 72.030000000000001 111.12 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' E' ' 19' ' ' PHE . 1.7 m-85 -109.5 99.29 8.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 44.210000000000001 110.892 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 62.81 69.69 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 73.319999999999993 110.845 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.36 133.18 43.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 44.310000000000002 111.129 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 59.71 79.63 0.22 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 64.409999999999997 110.885 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.549 HG11 ' ND2' ' E' ' 27' ' ' ASN . 48.6 t -114.11 147.5 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 65.040000000000006 111.103 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.73 -46.14 8.05 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.685 -0.769 . . . . 55.43 112.474 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -161.21 122.98 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 75.109999999999999 110.868 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.549 ' ND2' HG11 ' E' ' 24' ' ' VAL . 23.4 m120 -96.72 99.94 11.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 73.099999999999994 110.893 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.32 145.31 44.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 72.329999999999998 110.9 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.08 -139.47 22.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 44.219999999999999 112.486 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.634 ' HB2' ' CE2' ' J' ' 4' ' ' PHE . . . -98.95 113.44 25.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.759 0.314 . . . . 64.129999999999995 111.144 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.445 ' N ' HD13 ' E' ' 31' ' ' ILE . 0.0 OUTLIER -121.71 121.37 64.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 62.140000000000001 111.119 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 mt -133.1 110.64 15.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 71.420000000000002 111.125 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . 0.405 ' HA3' ' HB3' ' E' ' 19' ' ' PHE . . . -51.96 -37.95 45.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 55.409999999999997 112.443 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.709 HD22 ' O ' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -166.89 144.59 4.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.873 0.368 . . . . 53.240000000000002 110.876 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ttp -131.03 122.37 26.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 70.0 110.868 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.858 HG21 HG11 ' J' ' 36' ' ' VAL . 69.2 t -137.9 112.0 8.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 74.219999999999999 111.113 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.59 9.39 58.54 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.743 -0.741 . . . . 63.25 112.524 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -87.48 -171.33 47.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.724 . . . . 70.230000000000004 112.475 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.847 HG23 HG13 ' D' ' 39' ' ' VAL . 7.6 p -167.38 146.89 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 73.439999999999998 111.153 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.422 HG22 ' HA ' ' D' ' 40' ' ' VAL . 34.0 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 72.530000000000001 111.131 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.796 0.331 . . . . 72.549999999999997 110.854 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.06 88.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 54.439999999999998 111.102 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -52.67 -31.33 36.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 64.230000000000004 110.91 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 4' ' ' PHE . . . . . 0.724 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 1.7 m-85 -155.95 114.04 3.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 75.519999999999996 110.908 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 -132.48 108.55 9.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 72.099999999999994 110.862 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -110.39 124.89 52.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 55.210000000000001 110.845 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -131.38 101.65 5.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 74.319999999999993 110.907 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 23.1 m -148.37 176.31 10.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 64.430000000000007 110.872 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.72 -8.97 38.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 63.329999999999998 112.514 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -172.33 111.0 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.871 0.367 . . . . 73.049999999999997 110.898 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -101.17 122.44 43.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.504 . . . . 65.409999999999997 110.859 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.569 HG12 ' CD2' ' F' ' 14' ' ' HIS . 19.4 t -138.89 113.87 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 65.299999999999997 111.125 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 57.8 m170 -108.58 133.75 52.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 72.310000000000002 110.849 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . 0.569 ' CD2' HG12 ' F' ' 12' ' ' VAL . 18.3 m-70 -137.5 112.05 8.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 71.299999999999997 110.896 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.46 133.48 49.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 70.409999999999997 110.922 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -127.75 117.34 21.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 72.200000000000003 110.904 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.484 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.0 mm? -118.32 111.05 18.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 74.040000000000006 110.896 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.731 HG12 ' CG2' ' G' ' 18' ' ' VAL . 35.7 m -115.9 120.53 65.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 51.299999999999997 111.142 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.407 ' HD2' HD12 ' G' ' 34' ' ' LEU . 11.1 m-85 -111.69 101.09 9.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 73.540000000000006 110.889 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 62.33 65.83 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 74.319999999999993 110.89 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.83 133.11 41.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 75.519999999999996 111.092 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 61.51 78.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 70.409999999999997 110.88 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.455 HG11 ' ND2' ' F' ' 27' ' ' ASN . 43.4 t -112.66 147.66 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 61.020000000000003 111.125 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.65 -47.43 8.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.788 -0.72 . . . . 22.510000000000002 112.447 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.5 m -160.63 120.99 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 63.009999999999998 110.871 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . 0.455 ' ND2' HG11 ' F' ' 24' ' ' VAL . 18.3 m120 -96.93 99.51 11.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 60.140000000000001 110.908 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.53 140.72 48.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 74.409999999999997 110.893 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.69 -141.13 22.44 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 52.310000000000002 112.459 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.736 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . . . -101.74 113.37 26.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 54.299999999999997 111.105 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.522 HD13 ' C ' ' F' ' 30' ' ' ALA . 0.0 OUTLIER -127.89 123.25 60.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 54.329999999999998 111.157 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -137.15 114.51 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 75.450000000000003 111.129 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.34 -45.69 8.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 72.010000000000005 112.52 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.821 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -168.7 146.48 3.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.821 0.343 . . . . 74.510000000000005 110.943 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 3.4 ttp -129.55 126.78 39.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 64.040000000000006 110.887 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.797 HG21 HG11 ' A' ' 36' ' ' VAL . 60.9 t -131.81 114.09 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 73.239999999999995 111.144 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.85 6.41 81.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 62.020000000000003 112.47 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.19 -170.66 43.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.732 . . . . 33.109999999999999 112.481 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.932 HG13 HG23 ' G' ' 39' ' ' VAL . 7.1 p -168.92 146.19 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 70.019999999999996 111.145 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.486 HG12 HG22 ' G' ' 40' ' ' VAL . 33.9 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 75.420000000000002 111.148 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.841 0.353 . . . . 74.209999999999994 110.9 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.83 88.9 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 75.319999999999993 111.128 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -52.62 -31.35 36.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 53.530000000000001 110.918 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 4' ' ' PHE . . . . . 0.689 ' CE2' ' HB2' ' B' ' 30' ' ' ALA . 2.1 m-85 -157.82 114.04 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 75.450000000000003 110.889 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 tpt85 -130.56 109.0 10.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 74.219999999999999 110.899 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -109.96 124.79 52.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 63.409999999999997 110.805 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -131.43 101.38 5.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 72.319999999999993 110.878 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' H' ' 8' ' ' SER . 22.5 m -148.11 175.74 10.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 63.530000000000001 110.884 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.63 -8.57 39.93 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 53.100000000000001 112.492 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -172.68 110.24 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.89 0.376 . . . . 75.319999999999993 110.927 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -100.23 121.76 41.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 63.229999999999997 110.906 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . 0.57 HG12 ' CD2' ' G' ' 14' ' ' HIS . 21.3 t -137.76 113.98 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 64.230000000000004 111.136 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 57.6 m170 -108.71 133.36 52.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 75.129999999999995 110.843 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . 0.57 ' CD2' HG12 ' G' ' 12' ' ' VAL . 18.2 m-70 -136.19 113.25 10.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 71.400000000000006 110.824 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.5 133.1 49.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 65.319999999999993 110.905 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . 0.459 ' O ' HD22 ' G' ' 17' ' ' LEU . 7.2 tptm -126.44 117.67 23.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 74.109999999999999 110.877 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.484 HD13 ' HB2' ' F' ' 17' ' ' LEU . 3.6 mm? -120.86 111.05 17.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 74.109999999999999 110.924 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.731 ' CG2' HG12 ' F' ' 18' ' ' VAL . 28.2 m -117.53 119.76 62.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 70.209999999999994 111.106 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.449 ' CE1' HD12 ' G' ' 17' ' ' LEU . 5.7 m-85 -110.26 101.17 9.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 71.209999999999994 110.866 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 61.74 66.18 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 72.120000000000005 110.894 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.58 132.79 41.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 52.43 111.128 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 60.98 78.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 74.030000000000001 110.875 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.436 HG11 ' ND2' ' G' ' 27' ' ' ASN . 43.4 t -113.38 147.86 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 75.519999999999996 111.113 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.55 -46.99 8.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 23.309999999999999 112.5 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 4.7 m -159.85 121.45 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 74.129999999999995 110.849 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . 0.436 ' ND2' HG11 ' G' ' 24' ' ' VAL . 17.3 m120 -97.22 99.49 10.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 65.129999999999995 110.869 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.08 144.29 44.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 75.230000000000004 110.913 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.57 -139.18 22.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.703 -0.761 . . . . 71.129999999999995 112.51 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.701 ' HB2' ' CE2' ' B' ' 4' ' ' PHE . . . -102.79 113.23 26.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.785 0.326 . . . . 50.119999999999997 111.074 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.504 HD13 ' C ' ' G' ' 30' ' ' ALA . 0.0 OUTLIER -125.67 120.67 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 72.310000000000002 111.139 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -134.53 112.1 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 62.299999999999997 111.134 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . 0.403 ' HA3' ' HB3' ' G' ' 19' ' ' PHE . . . -44.77 -44.95 8.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.728 -0.749 . . . . 31.309999999999999 112.476 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.879 HD22 ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -165.11 149.07 8.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.781 0.324 . . . . 73.140000000000001 110.904 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 2.5 ttp -130.44 126.02 35.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 73.439999999999998 110.863 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.859 HG21 HG11 ' B' ' 36' ' ' VAL . 74.7 t -136.06 113.8 14.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 73.409999999999997 111.131 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.44 7.7 64.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 73.200000000000003 112.53 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.1 -171.2 45.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.689 -0.767 . . . . 74.239999999999995 112.442 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.932 HG23 HG13 ' F' ' 39' ' ' VAL . 7.1 p -169.07 146.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 65.420000000000002 111.146 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.486 HG22 HG12 ' F' ' 40' ' ' VAL . 34.0 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 52.409999999999997 111.157 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.768 0.318 . . . . 72.439999999999998 110.84 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.29 88.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 64.510000000000005 111.083 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -52.14 -31.63 31.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 70.129999999999995 110.857 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 4' ' ' PHE . . . . . 0.657 ' CE2' ' HB2' ' C' ' 30' ' ' ALA . 2.2 m-85 -157.42 114.1 2.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 74.140000000000001 110.91 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -129.71 108.95 10.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 75.109999999999999 110.883 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -110.16 124.35 51.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 62.240000000000002 110.869 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -131.21 101.55 5.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 73.019999999999996 110.886 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' G' ' 8' ' ' SER . 21.7 m -147.98 175.44 10.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 74.219999999999999 110.855 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.72 -8.46 39.93 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.701 -0.761 . . . . 73.430000000000007 112.468 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -172.39 110.24 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.372 . . . . 54.539999999999999 110.909 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -99.89 122.12 42.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.136 -0.483 . . . . 64.430000000000007 110.932 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 0.56 HG12 ' CD2' ' H' ' 14' ' ' HIS . 21.4 t -138.39 114.19 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 71.439999999999998 111.093 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -109.22 133.22 53.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 71.120000000000005 110.876 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . 0.56 ' CD2' HG12 ' H' ' 12' ' ' VAL . 18.2 m-70 -135.56 113.92 11.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 71.049999999999997 110.867 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.72 133.23 49.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 73.430000000000007 110.934 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . 0.502 ' O ' HD22 ' H' ' 17' ' ' LEU . 7.3 tptm -125.55 117.11 22.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 62.130000000000003 110.851 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.502 HD22 ' O ' ' H' ' 16' ' ' LYS . 3.9 mm? -122.19 111.25 16.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 72.129999999999995 110.884 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.7 ' CG2' HG12 ' G' ' 18' ' ' VAL . 27.5 m -118.7 120.26 63.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 73.409999999999997 111.138 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.471 ' HE1' HD12 ' H' ' 17' ' ' LEU . 3.9 m-85 -109.45 100.58 9.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 75.430000000000007 110.842 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 61.11 67.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 73.129999999999995 110.852 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.8 132.53 42.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 74.219999999999999 111.055 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 60.73 79.01 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 53.32 110.875 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.427 HG11 ' ND2' ' H' ' 27' ' ' ASN . 41.9 t -112.85 148.21 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 74.450000000000003 111.118 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.21 -46.51 8.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 31.440000000000001 112.493 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -159.81 121.35 3.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.835 0.35 . . . . 72.140000000000001 110.876 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . 0.427 ' ND2' HG11 ' H' ' 24' ' ' VAL . 16.9 m120 -97.22 99.39 10.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 73.109999999999999 110.87 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.04 145.38 43.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 41.399999999999999 110.876 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . 0.411 ' HA2' ' HA ' ' C' ' 3' ' ' GLU . . . 78.1 -138.51 21.41 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.724 -0.751 . . . . 54.43 112.483 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . 0.659 ' HB2' ' CE2' ' C' ' 4' ' ' PHE . . . -102.46 112.94 25.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.729 0.299 . . . . 64.25 111.132 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.503 HD13 ' C ' ' H' ' 30' ' ' ALA . 0.0 OUTLIER -124.42 119.58 56.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 74.450000000000003 111.08 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -133.59 113.06 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 72.010000000000005 111.083 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . 0.415 ' HA3' ' HB3' ' H' ' 19' ' ' PHE . . . -47.38 -45.47 22.15 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.765 -0.731 . . . . 44.240000000000002 112.454 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.899 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -162.61 147.61 12.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.827 0.346 . . . . 65.129999999999995 110.943 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 3.0 ttp -129.27 123.65 32.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 71.099999999999994 110.917 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.859 HG11 HG21 ' C' ' 36' ' ' VAL . 80.4 t -136.4 113.79 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 73.540000000000006 111.122 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.3 8.14 61.68 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 51.009999999999998 112.46 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.72 -171.96 46.27 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.713 -0.756 . . . . 71.310000000000002 112.485 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.92 HG23 HG13 ' G' ' 39' ' ' VAL . 7.2 p -168.74 146.09 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 73.540000000000006 111.177 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . 0.45 HG22 HG12 ' G' ' 40' ' ' VAL . 33.9 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 71.549999999999997 111.127 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.852 0.358 . . . . 71.340000000000003 110.891 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.82 88.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 61.450000000000003 111.127 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -52.14 -31.37 30.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 71.239999999999995 110.906 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 4' ' ' PHE . . . . . 0.66 ' CE2' ' HB2' ' D' ' 30' ' ' ALA . 2.1 m-85 -157.5 114.16 2.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 73.219999999999999 110.943 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -128.95 108.7 10.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 72.420000000000002 110.888 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -110.52 123.93 50.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 74.140000000000001 110.846 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -130.72 101.47 5.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 64.129999999999995 110.846 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' H' ' 8' ' ' SER . 21.3 m -148.39 174.6 11.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 73.200000000000003 110.813 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.75 -8.11 40.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.765 -0.731 . . . . 72.239999999999995 112.49 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -172.13 110.32 0.26 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.876 0.37 . . . . 75.409999999999997 110.905 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -99.77 122.04 42.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.491 . . . . 75.040000000000006 110.852 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 12' ' ' VAL . . . . . 0.556 HG12 ' CD2' ' I' ' 14' ' ' HIS . 21.3 t -137.99 114.27 10.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 63.43 111.1 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 57.6 m170 -109.41 133.91 52.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 71.140000000000001 110.846 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . 0.556 ' CD2' HG12 ' I' ' 12' ' ' VAL . 18.1 m-70 -135.61 114.31 11.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 71.329999999999998 110.83 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.4 133.16 48.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 73.439999999999998 110.88 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . 0.546 ' O ' HD22 ' I' ' 17' ' ' LEU . 7.3 tptm -124.92 116.45 22.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 74.439999999999998 110.937 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.546 HD22 ' O ' ' I' ' 16' ' ' LYS . 4.0 mm? -123.68 110.38 14.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 75.319999999999993 110.914 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . 0.692 ' CG2' HG12 ' H' ' 18' ' ' VAL . 31.3 m -118.83 120.86 65.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 73.519999999999996 111.108 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . 0.467 ' HE1' HD12 ' I' ' 17' ' ' LEU . 2.4 m-85 -108.46 100.44 9.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 72.019999999999996 110.883 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 61.43 68.22 0.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 51.420000000000002 110.854 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.84 132.98 42.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 42.450000000000003 111.091 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 60.43 79.09 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 61.039999999999999 110.831 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.513 HG11 ' ND2' ' I' ' 27' ' ' ASN . 43.3 t -113.66 147.34 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 65.140000000000001 111.187 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.5 -46.49 7.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 61.210000000000001 112.527 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 4.7 m -159.65 121.18 3.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 55.109999999999999 110.846 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . 0.513 ' ND2' HG11 ' I' ' 24' ' ' VAL . 18.1 m120 -97.04 99.19 10.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 74.109999999999999 110.893 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.4 146.48 42.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 63.149999999999999 110.869 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . 0.411 ' HA2' ' HA ' ' D' ' 3' ' ' GLU . . . 77.79 -137.95 20.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.791 -0.719 . . . . 71.340000000000003 112.463 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.687 ' HB2' ' CE2' ' D' ' 4' ' ' PHE . . . -103.11 112.85 25.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.76 0.314 . . . . 53.5 111.15 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.508 ' N ' HD13 ' I' ' 31' ' ' ILE . 0.0 OUTLIER -123.13 119.82 58.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 71.530000000000001 111.115 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -132.36 111.86 18.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 74.150000000000006 111.13 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . 0.416 ' HA3' ' HB3' ' I' ' 19' ' ' PHE . . . -48.39 -43.07 26.77 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 51.229999999999997 112.499 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.894 HD22 ' O ' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -163.6 146.95 10.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 64.530000000000001 110.896 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 3.1 ttp -130.12 122.96 29.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 70.420000000000002 110.901 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.856 HG11 HG21 ' D' ' 36' ' ' VAL . 71.3 t -137.18 113.61 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 64.129999999999995 111.139 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.38 8.77 59.95 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.727 . . . . 73.140000000000001 112.444 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.0 -173.36 46.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 72.030000000000001 112.494 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 0.909 HG23 HG13 ' H' ' 39' ' ' VAL . 7.2 p -167.34 146.51 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 64.230000000000004 111.111 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . 0.427 ' HA ' HG22 ' J' ' 40' ' ' VAL . 34.1 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 75.150000000000006 111.101 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.791 0.329 . . . . 73.319999999999993 110.879 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.82 88.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 75.109999999999999 111.053 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -51.96 -31.5 29.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.46 . . . . 71.530000000000001 110.953 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' J' J ' 4' ' ' PHE . . . . . 0.634 ' CE2' ' HB2' ' E' ' 30' ' ' ALA . 2.1 m-85 -157.88 115.04 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 75.129999999999995 110.867 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 4.4 tpt85 -128.6 108.55 10.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 73.299999999999997 110.849 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -111.0 123.06 49.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 75.109999999999999 110.857 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -128.88 101.12 5.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 73.129999999999995 110.832 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 23.8 m -149.52 170.4 18.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 71.040000000000006 110.845 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.41 -7.06 46.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 61.420000000000002 112.466 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -170.51 108.4 0.33 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.856 0.36 . . . . 72.0 110.951 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -100.18 121.16 41.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 74.099999999999994 110.857 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . 0.571 HG12 ' CD2' ' J' ' 14' ' ' HIS . 21.3 t -137.73 115.01 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 65.349999999999994 111.12 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 57.5 m170 -108.46 134.72 50.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 61.439999999999998 110.882 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . 0.571 ' CD2' HG12 ' J' ' 12' ' ' VAL . 18.3 m-70 -134.34 113.75 12.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 74.530000000000001 110.867 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.69 132.96 46.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 71.030000000000001 110.935 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . 0.54 ' O ' HD22 ' J' ' 17' ' ' LEU . 7.2 tptm -124.92 115.77 21.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 74.209999999999994 110.917 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.54 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.2 mm? -124.52 109.89 13.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 75.519999999999996 110.891 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.679 ' CG2' HG12 ' I' ' 18' ' ' VAL . 26.4 m -119.3 124.48 73.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 73.400000000000006 111.122 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' J' ' 19' ' ' PHE . 1.6 m-85 -109.89 99.25 8.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 73.120000000000005 110.895 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 62.82 70.06 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 74.319999999999993 110.89 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.05 132.83 44.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 74.409999999999997 111.117 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 60.12 79.76 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 73.200000000000003 110.84 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.554 HG11 ' ND2' ' J' ' 27' ' ' ASN . 47.4 t -114.48 147.79 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 62.219999999999999 111.144 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.07 -46.48 7.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 73.420000000000002 112.484 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 4.5 m -160.35 121.86 3.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 73.519999999999996 110.855 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . 0.554 ' ND2' HG11 ' J' ' 24' ' ' VAL . 22.6 m120 -96.65 99.25 10.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 64.209999999999994 110.911 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.05 146.7 42.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 63.43 110.885 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . 0.417 ' HA2' ' HA ' ' E' ' 3' ' ' GLU . . . 77.53 -140.56 24.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 73.430000000000007 112.538 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 0.622 ' HB2' ' CE2' ' E' ' 4' ' ' PHE . . . -98.4 112.91 24.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 72.230000000000004 111.108 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.439 ' N ' HD13 ' J' ' 31' ' ' ILE . 0.0 OUTLIER -121.44 121.96 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 61.530000000000001 111.101 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 mt -132.91 110.38 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 64.349999999999994 111.133 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . 0.401 ' HA3' ' HB3' ' J' ' 19' ' ' PHE . . . -51.83 -36.85 42.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.746 . . . . 52.5 112.509 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.719 HD22 ' O ' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -168.23 144.7 3.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.76 0.314 . . . . 74.299999999999997 110.932 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 3.5 ttp -130.51 121.69 26.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 62.310000000000002 110.903 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.858 HG11 HG21 ' E' ' 36' ' ' VAL . 78.4 t -138.27 111.7 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 63.340000000000003 111.163 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.29 9.02 60.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 61.439999999999998 112.485 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.41 -170.78 45.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.789 -0.719 . . . . 64.010000000000005 112.465 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.843 HG23 HG13 ' I' ' 39' ' ' VAL . 7.6 p -167.96 147.02 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.389 . . . . 73.120000000000005 111.117 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.427 HG22 ' HA ' ' I' ' 40' ' ' VAL . 34.2 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 74.219999999999999 111.11 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.821 0.343 . . . . 61.329999999999998 110.857 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.08 91.72 7.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 73.219999999999999 111.12 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . 0.551 ' HB3' ' HA2' ' F' ' 29' ' ' GLY . 3.4 mm-40 -56.32 -40.41 74.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 74.310000000000002 110.93 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -169.92 116.34 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 72.519999999999996 110.892 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -103.51 108.28 19.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 71.310000000000002 110.873 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -109.29 114.91 28.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 74.219999999999999 110.806 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -135.16 100.76 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 61.329999999999998 110.847 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.488 ' O ' ' HA ' ' B' ' 8' ' ' SER . 80.0 p -147.91 127.91 13.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 64.439999999999998 110.871 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.57 -21.5 21.38 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.746 -0.74 . . . . 44.43 112.452 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -159.74 111.56 2.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 71.319999999999993 110.9 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -109.65 119.68 40.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 63.210000000000001 110.867 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.6 t -138.19 134.9 44.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 74.140000000000001 111.109 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -130.51 112.71 13.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 74.230000000000004 110.824 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -117.04 126.46 52.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 71.129999999999995 110.852 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.557 ' HG3' HG12 ' F' ' 39' ' ' VAL . 0.0 OUTLIER -130.09 133.48 46.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 61.310000000000002 110.892 -179.922 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.506 ' C ' HD22 ' A' ' 17' ' ' LEU . 8.7 tttp -126.4 125.04 41.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 73.409999999999997 110.881 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.662 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.5 mm? -124.22 103.09 8.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 74.549999999999997 110.935 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.696 HG12 ' HB2' ' A' ' 21' ' ' ALA . 2.1 t -109.61 111.22 35.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 61.200000000000003 111.158 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.446 ' HD2' HD12 ' B' ' 34' ' ' LEU . 7.4 m-85 -102.94 138.83 39.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 73.519999999999996 110.812 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.645 ' CE1' HG22 ' A' ' 31' ' ' ILE . 16.7 m-85 62.02 39.97 12.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 74.310000000000002 110.906 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.696 ' HB2' HG12 ' A' ' 18' ' ' VAL . . . -91.35 121.91 33.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 72.239999999999995 111.083 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 60.49 75.49 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 65.209999999999994 110.878 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.641 ' CG1' HG23 ' B' ' 24' ' ' VAL . 4.0 p -129.28 142.64 43.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 72.150000000000006 111.112 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.91 -48.48 78.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 73.310000000000002 112.495 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.07 141.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 61.219999999999999 110.883 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . 0.528 ' OD1' HG21 ' A' ' 31' ' ' ILE . 93.9 m-20 -101.22 107.83 19.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 54.32 110.869 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.81 159.92 18.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 52.43 110.916 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.93 -128.94 22.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 64.140000000000001 112.471 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.16 113.79 26.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.323 . . . . 62.130000000000003 111.065 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.645 HG22 ' CE1' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -128.42 124.81 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 71.140000000000001 111.145 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 mt -134.78 116.56 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 73.430000000000007 111.15 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.408 ' N ' ' CZ ' ' A' ' 20' ' ' PHE . . . -47.46 -53.08 12.97 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.719 -0.753 . . . . 64.129999999999995 112.458 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.828 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -159.01 153.31 23.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 74.409999999999997 110.926 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.1 mtp -132.98 131.32 40.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 62.43 110.851 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 1.085 HG11 HG21 ' F' ' 36' ' ' VAL . 50.6 t -121.11 115.61 47.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 72.030000000000001 111.143 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 54.18 27.89 40.44 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 41.32 112.497 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.97 -177.55 17.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.787 -0.721 . . . . 61.5 112.501 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.56 HG12 ' HG3' ' F' ' 15' ' ' GLN . 8.0 p -148.96 136.26 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.377 . . . . 53.020000000000003 111.139 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.456 ' C ' HG22 ' B' ' 40' ' ' VAL . 22.0 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 61.530000000000001 111.095 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.821 0.343 . . . . 33.32 110.872 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . 0.404 ' HB1' ' HG2' ' B' ' 5' ' ' ARG . . . -88.61 95.46 10.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 73.209999999999994 111.091 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . 0.513 ' HB3' ' HA2' ' G' ' 29' ' ' GLY . 4.4 mm-40 -54.28 -32.89 57.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 70.310000000000002 110.935 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -168.45 118.91 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 74.209999999999994 110.877 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . 0.404 ' HG2' ' HB1' ' B' ' 2' ' ' ALA . 5.7 mmt85 -105.46 107.89 19.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 71.430000000000007 110.828 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -108.69 116.24 31.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 70.140000000000001 110.862 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -131.98 100.98 5.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 65.219999999999999 110.884 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.513 ' O ' ' HA ' ' C' ' 8' ' ' SER . 79.5 p -148.0 126.43 12.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 75.109999999999999 110.86 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.88 -20.93 21.43 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.776 -0.726 . . . . 74.129999999999995 112.492 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . 0.406 ' HD1' HG23 ' B' ' 12' ' ' VAL . 0.9 OUTLIER -161.29 109.04 1.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.89 0.376 . . . . 71.400000000000006 110.961 -179.839 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -106.9 120.2 41.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 65.519999999999996 110.894 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . 0.406 HG23 ' HD1' ' B' ' 10' ' ' TYR . 41.3 t -137.3 135.57 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 74.430000000000007 111.131 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -131.33 112.8 13.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 75.420000000000002 110.834 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -115.61 128.44 55.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 61.25 110.865 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.574 ' HG3' HG12 ' G' ' 39' ' ' VAL . 0.0 OUTLIER -128.94 134.3 48.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 53.509999999999998 110.905 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.571 ' O ' HD22 ' B' ' 17' ' ' LEU . 8.3 tttp -124.2 125.79 45.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 65.209999999999994 110.926 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.669 ' HB2' HD13 ' C' ' 17' ' ' LEU . 4.6 mm? -127.6 102.15 6.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 71.420000000000002 110.946 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.854 HG12 ' HB2' ' B' ' 21' ' ' ALA . 1.5 t -109.31 113.25 43.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 53.100000000000001 111.152 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.488 ' CE1' HD12 ' B' ' 17' ' ' LEU . 4.8 m-85 -107.7 134.3 50.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 71.439999999999998 110.892 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.651 ' HE1' HG22 ' B' ' 31' ' ' ILE . 20.5 m-85 62.13 39.45 12.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 70.420000000000002 110.84 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.854 ' HB2' HG12 ' B' ' 18' ' ' VAL . . . -91.24 124.3 35.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 64.120000000000005 111.069 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 57.45 75.38 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 72.239999999999995 110.895 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.683 HG11 HG23 ' C' ' 24' ' ' VAL . 6.7 p -127.42 142.25 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 73.319999999999993 111.167 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.46 -47.08 92.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 31.539999999999999 112.527 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.97 140.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 72.540000000000006 110.856 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.55 ' OD1' HG21 ' B' ' 31' ' ' ILE . 92.2 m-20 -101.85 107.96 19.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 64.209999999999994 110.901 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.67 161.17 16.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 72.200000000000003 110.882 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.11 -130.08 18.59 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 54.130000000000003 112.488 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.72 114.18 26.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.751 0.31 . . . . 72.140000000000001 111.091 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.651 HG22 ' HE1' ' B' ' 20' ' ' PHE . 0.5 OUTLIER -127.56 121.9 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 64.329999999999998 111.162 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.4 HG21 ' HG3' ' B' ' 35' ' ' MET . 6.8 mt -131.44 118.06 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 73.310000000000002 111.168 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . 0.4 ' N ' ' CZ ' ' B' ' 20' ' ' PHE . . . -48.07 -52.97 15.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 75.120000000000005 112.493 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.842 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -155.83 151.65 27.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 73.310000000000002 110.904 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.4 ' HG3' HG21 ' B' ' 32' ' ' ILE . 5.4 mtp -129.23 124.92 35.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 74.109999999999999 110.868 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 1.034 HG21 HG11 ' G' ' 36' ' ' VAL . 53.2 t -121.73 113.64 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 44.130000000000003 111.178 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.88 28.51 31.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.751 . . . . 21.41 112.527 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.35 -178.05 17.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 41.43 112.482 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.574 HG12 ' HG3' ' G' ' 15' ' ' GLN . 7.3 p -149.37 135.09 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.371 . . . . 53.310000000000002 111.151 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.501 ' C ' HG22 ' C' ' 40' ' ' VAL . 19.2 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 74.329999999999998 111.088 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.812 0.339 . . . . 65.340000000000003 110.859 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 2' ' ' ALA . . . . . 0.442 ' HB1' ' HG2' ' C' ' 5' ' ' ARG . . . -89.71 95.18 10.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 54.439999999999998 111.068 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . 0.422 ' HA ' ' HG3' ' B' ' 3' ' ' GLU . 4.2 mm-40 -55.82 -30.97 62.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 62.109999999999999 110.887 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -169.52 115.74 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 73.109999999999999 110.92 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 5' ' ' ARG . . . . . 0.442 ' HG2' ' HB1' ' C' ' 2' ' ' ALA . 5.6 mmt85 -105.82 106.99 17.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 75.299999999999997 110.916 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -108.31 117.73 34.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 71.510000000000005 110.882 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -130.88 100.18 5.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 75.530000000000001 110.906 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . 0.513 ' HA ' ' O ' ' B' ' 8' ' ' SER . 79.4 p -147.5 127.37 13.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 62.420000000000002 110.853 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.23 -20.95 23.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.697 -0.763 . . . . 63.210000000000001 112.51 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . 0.406 ' HD1' HG23 ' C' ' 12' ' ' VAL . 1.0 OUTLIER -162.01 110.94 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 55.439999999999998 110.922 -179.811 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -108.19 120.37 42.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 73.200000000000003 110.874 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . 0.406 HG23 ' HD1' ' C' ' 10' ' ' TYR . 41.6 t -136.87 135.69 48.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 63.219999999999999 111.148 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -131.07 113.09 13.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 74.209999999999994 110.849 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -114.14 130.37 56.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 74.310000000000002 110.862 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . 0.519 ' HG3' HG12 ' H' ' 39' ' ' VAL . 0.0 OUTLIER -130.1 134.12 47.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 74.450000000000003 110.931 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.627 ' O ' HD22 ' C' ' 17' ' ' LEU . 8.3 tttp -123.46 123.96 41.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 72.540000000000006 110.905 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.669 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.6 mm? -129.34 101.95 6.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 71.239999999999995 110.946 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.857 HG12 ' HB2' ' C' ' 21' ' ' ALA . 1.4 t -110.51 114.48 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 62.340000000000003 111.138 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.467 ' HE1' HD12 ' C' ' 17' ' ' LEU . 3.4 m-85 -108.06 133.69 52.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 74.519999999999996 110.877 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.659 ' HE1' HG22 ' C' ' 31' ' ' ILE . 21.0 m-85 60.64 40.66 16.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 73.310000000000002 110.877 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 0.857 ' HB2' HG12 ' C' ' 18' ' ' VAL . . . -90.42 124.9 35.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 72.430000000000007 111.106 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 53.87 75.18 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 75.200000000000003 110.854 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.692 HG11 HG23 ' D' ' 24' ' ' VAL . 9.3 p -123.3 140.55 46.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 70.420000000000002 111.126 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.17 -46.14 94.25 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.772 -0.728 . . . . 55.420000000000002 112.5 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.9 137.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 63.299999999999997 110.849 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.518 ' OD1' HG21 ' C' ' 31' ' ' ILE . 92.4 m-20 -101.56 106.62 17.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 74.430000000000007 110.897 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.45 161.21 15.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.230000000000004 110.911 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.92 -131.6 23.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.803 -0.713 . . . . 73.540000000000006 112.462 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.01 114.07 25.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 35.200000000000003 111.12 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.659 HG22 ' HE1' ' C' ' 20' ' ' PHE . 0.5 OUTLIER -127.0 121.46 58.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 74.239999999999995 111.13 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.47 HG21 ' HG3' ' C' ' 35' ' ' MET . 6.9 mt -130.51 117.99 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 64.010000000000005 111.128 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.45 -53.03 17.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 52.109999999999999 112.525 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.867 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -154.41 149.64 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.349 . . . . 73.310000000000002 110.871 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.47 ' HG3' HG21 ' C' ' 32' ' ' ILE . 6.0 mtp -128.15 123.25 33.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 64.129999999999995 110.862 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 1.001 HG21 HG11 ' H' ' 36' ' ' VAL . 62.1 t -122.71 112.53 34.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 73.010000000000005 111.134 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.82 31.01 30.45 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.741 . . . . 72.319999999999993 112.506 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.23 -178.7 16.65 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 40.149999999999999 112.477 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.545 HG23 HG13 ' B' ' 39' ' ' VAL . 7.7 p -149.46 134.56 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 74.230000000000004 111.139 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.526 ' C ' HG22 ' D' ' 40' ' ' VAL . 18.1 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 73.310000000000002 111.167 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.789 0.328 . . . . 73.140000000000001 110.851 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 2' ' ' ALA . . . . . 0.493 ' HB1' ' HG2' ' D' ' 5' ' ' ARG . . . -90.12 93.87 9.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 73.0 111.066 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 3' ' ' GLU . . . . . 0.403 ' HA ' ' HG3' ' C' ' 3' ' ' GLU . 4.1 mm-40 -55.21 -29.28 57.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 74.209999999999994 110.889 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -170.4 115.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 70.129999999999995 110.888 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 5' ' ' ARG . . . . . 0.493 ' HG2' ' HB1' ' D' ' 2' ' ' ALA . 5.7 mmt85 -106.63 106.53 17.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 61.509999999999998 110.868 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -107.53 119.21 38.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 75.540000000000006 110.9 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -130.14 100.05 5.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 75.129999999999995 110.879 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . 0.508 ' HA ' ' O ' ' C' ' 8' ' ' SER . 79.5 p -148.05 127.27 12.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 53.340000000000003 110.875 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.48 -21.1 26.23 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.752 . . . . 64.409999999999997 112.511 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -162.43 110.9 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.861 0.362 . . . . 73.340000000000003 110.928 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -108.02 120.81 43.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 75.299999999999997 110.934 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 41.7 t -136.67 135.76 48.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 60.140000000000001 111.102 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -130.38 114.11 15.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 75.299999999999997 110.858 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -113.5 131.69 55.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 71.450000000000003 110.862 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . 0.433 ' HG3' HG12 ' I' ' 39' ' ' VAL . 0.0 OUTLIER -132.01 133.76 44.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 74.109999999999999 110.91 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . 0.664 ' O ' HD22 ' D' ' 17' ' ' LEU . 8.3 tttp -122.6 121.69 37.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 64.319999999999993 110.867 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.664 HD22 ' O ' ' D' ' 16' ' ' LYS . 4.6 mm? -130.48 101.44 5.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 65.329999999999998 110.952 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.845 HG12 ' HB2' ' D' ' 21' ' ' ALA . 0.8 OUTLIER -110.57 116.41 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 75.420000000000002 111.12 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.494 ' HD2' HD12 ' E' ' 34' ' ' LEU . 2.2 m-85 -108.06 133.58 52.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 72.510000000000005 110.852 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.651 ' HE1' HG22 ' D' ' 31' ' ' ILE . 19.7 m-85 58.5 40.67 23.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 74.299999999999997 110.882 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . 0.845 ' HB2' HG12 ' D' ' 18' ' ' VAL . . . -90.36 124.08 34.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 74.439999999999998 111.066 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 54.09 73.27 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 73.109999999999999 110.859 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.692 HG23 HG11 ' C' ' 24' ' ' VAL . 9.9 p -119.11 138.03 51.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 63.549999999999997 111.13 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.91 -44.55 96.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.759 -0.734 . . . . 71.450000000000003 112.461 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.43 134.45 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 75.299999999999997 110.884 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.496 ' OD1' HG21 ' D' ' 31' ' ' ILE . 92.5 m-20 -101.23 106.43 17.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 72.519999999999996 110.851 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.83 161.46 15.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 62.340000000000003 110.92 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.73 -131.99 27.17 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 41.399999999999999 112.49 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.08 114.03 25.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.758 0.313 . . . . 73.540000000000006 111.119 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.651 HG22 ' HE1' ' D' ' 20' ' ' PHE . 0.5 OUTLIER -127.62 121.36 56.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 64.409999999999997 111.149 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.562 HG21 ' HG3' ' D' ' 35' ' ' MET . 6.9 mt -129.62 118.19 44.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 44.539999999999999 111.158 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.11 -54.11 16.32 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.689 -0.767 . . . . 71.209999999999994 112.457 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.882 HD22 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -152.18 146.8 25.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.772 0.32 . . . . 72.319999999999993 110.902 -179.894 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.562 ' HG3' HG21 ' D' ' 32' ' ' ILE . 6.5 mtp -127.89 123.1 34.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 61.420000000000002 110.908 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 1.022 HG11 HG21 ' I' ' 36' ' ' VAL . 59.4 t -125.53 112.39 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 63.530000000000001 111.135 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.3 31.27 34.5 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.695 -0.764 . . . . 63.530000000000001 112.483 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.12 -178.85 16.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 61.119999999999997 112.519 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.527 HG23 HG13 ' C' ' 39' ' ' VAL . 9.0 p -149.53 134.08 9.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.918 0.39 . . . . 74.109999999999999 111.123 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.526 HG22 ' C ' ' C' ' 40' ' ' VAL . 18.4 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 72.109999999999999 111.112 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.815 0.341 . . . . 71.120000000000005 110.897 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 2' ' ' ALA . . . . . 0.511 ' HB1' ' HG2' ' E' ' 5' ' ' ARG . . . -89.69 93.31 9.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 75.439999999999998 111.086 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -55.44 -27.21 46.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 71.329999999999998 110.873 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 4' ' ' PHE . . . . . 0.425 ' CD1' ' HB2' ' J' ' 30' ' ' ALA . 1.8 t80 -168.98 118.18 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 73.430000000000007 110.87 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 5' ' ' ARG . . . . . 0.511 ' HG2' ' HB1' ' E' ' 2' ' ' ALA . 5.8 mmt85 -107.27 106.4 16.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 73.129999999999995 110.899 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -108.2 119.19 38.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 54.340000000000003 110.886 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -128.28 99.44 5.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 62.340000000000003 110.863 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . 0.469 ' HA ' ' O ' ' D' ' 8' ' ' SER . 79.5 p -150.06 129.88 13.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 74.510000000000005 110.84 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.09 -20.25 48.9 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.742 . . . . 61.5 112.533 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -162.17 111.08 1.45 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.866 0.365 . . . . 72.510000000000005 110.931 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -110.03 120.29 41.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 64.030000000000001 110.895 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 37.6 t -136.89 137.55 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 74.150000000000006 111.082 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 13' ' ' HIS . . . . . 0.505 ' HB3' HG21 ' J' ' 39' ' ' VAL . 36.9 m170 -130.94 113.58 14.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 72.329999999999998 110.852 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -111.17 132.02 54.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 73.540000000000006 110.839 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.96 137.5 47.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 64.099999999999994 110.925 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . 0.709 ' O ' HD22 ' E' ' 17' ' ' LEU . 7.6 tttp -123.24 120.04 31.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 74.430000000000007 110.878 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.709 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.5 mm? -132.09 101.97 5.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 72.049999999999997 110.937 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.797 HG12 ' HB2' ' E' ' 21' ' ' ALA . 0.2 OUTLIER -111.14 120.52 61.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 75.129999999999995 111.116 179.877 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.486 ' HE1' HD12 ' E' ' 17' ' ' LEU . 1.8 m-85 -110.35 133.1 53.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 70.239999999999995 110.898 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.546 ' HE1' HG22 ' E' ' 31' ' ' ILE . 20.6 m-85 55.63 40.2 30.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 75.519999999999996 110.883 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . 0.797 ' HB2' HG12 ' E' ' 18' ' ' VAL . . . -90.07 125.11 35.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 74.109999999999999 111.087 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 52.64 73.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 74.099999999999994 110.891 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.666 HG23 HG11 ' D' ' 24' ' ' VAL . 9.9 p -117.01 135.93 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 71.239999999999995 111.122 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.5 -43.12 97.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 63.030000000000001 112.495 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.68 128.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 73.510000000000005 110.881 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.519 ' OD1' HG21 ' E' ' 31' ' ' ILE . 85.7 m-20 -99.0 107.81 20.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 61.140000000000001 110.858 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.44 162.94 15.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 71.299999999999997 110.895 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' J' ' 3' ' ' GLU . . . 49.84 -133.27 27.4 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 63.200000000000003 112.469 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.78 113.78 25.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 72.299999999999997 111.08 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.546 HG22 ' HE1' ' E' ' 20' ' ' PHE . 0.5 OUTLIER -127.75 119.95 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 74.200000000000003 111.149 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.577 HG21 ' HG3' ' E' ' 35' ' ' MET . 6.6 mt -124.66 117.48 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 75.129999999999995 111.1 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . 0.479 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -50.02 -49.21 36.87 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.735 -0.745 . . . . 61.520000000000003 112.504 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.816 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -152.95 149.91 28.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 75.439999999999998 110.906 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.577 ' HG3' HG21 ' E' ' 32' ' ' ILE . 7.4 mtp -132.03 121.65 24.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 64.319999999999993 110.855 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.997 HG21 HG11 ' J' ' 36' ' ' VAL . 69.7 t -128.41 110.63 21.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 72.120000000000005 111.131 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.22 30.98 18.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 41.310000000000002 112.477 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.11 -178.33 17.18 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.739 . . . . 75.409999999999997 112.477 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.412 HG21 ' HB3' ' J' ' 13' ' ' HIS . 9.1 p -149.52 135.67 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.37 . . . . 61.240000000000002 111.092 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.424 HG22 ' C ' ' D' ' 40' ' ' VAL . 19.0 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 71.409999999999997 111.128 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.81 0.338 . . . . 63.229999999999997 110.896 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 2' ' ' ALA . . . . . 0.571 ' HB1' ' HG2' ' F' ' 5' ' ' ARG . . . -81.24 86.48 6.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 71.420000000000002 111.12 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -51.83 -36.32 47.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 75.140000000000001 110.911 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -158.52 115.75 2.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 72.430000000000007 110.893 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 5' ' ' ARG . . . . . 0.571 ' HG2' ' HB1' ' F' ' 2' ' ' ALA . 5.5 mmt85 -107.77 108.57 19.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.129999999999995 110.901 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -110.87 113.86 26.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 71.409999999999997 110.872 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -127.56 105.68 8.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 72.219999999999999 110.86 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . 0.455 ' O ' ' HA ' ' G' ' 8' ' ' SER . 79.3 p -144.79 127.69 16.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 75.120000000000005 110.885 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.46 -20.62 24.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.707 -0.759 . . . . 75.5 112.529 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . 0.414 ' HD1' HG23 ' F' ' 12' ' ' VAL . 0.8 OUTLIER -160.07 111.27 1.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 73.5 110.926 -179.828 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -108.76 119.08 38.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.503 . . . . 72.430000000000007 110.918 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . 0.414 HG23 ' HD1' ' F' ' 10' ' ' TYR . 39.1 t -138.53 136.66 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 51.119999999999997 111.156 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -132.26 113.16 12.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 62.350000000000001 110.872 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -118.28 125.46 50.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 61.25 110.845 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . 0.56 ' HG3' HG12 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -130.71 134.78 47.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 71.319999999999993 110.944 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . 0.486 ' C ' HD22 ' F' ' 17' ' ' LEU . 8.8 tttp -126.55 123.64 38.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 74.030000000000001 110.943 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.661 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.5 mm? -122.61 102.74 8.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 72.349999999999994 110.996 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.695 HG12 ' HB2' ' F' ' 21' ' ' ALA . 2.1 t -110.84 112.33 40.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 60.520000000000003 111.106 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.416 ' HD2' HD12 ' G' ' 34' ' ' LEU . 7.8 m-85 -102.05 137.46 40.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 75.209999999999994 110.916 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . 0.607 ' CE1' HG22 ' F' ' 31' ' ' ILE . 16.1 m-85 61.52 41.08 12.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 72.439999999999998 110.863 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . 0.695 ' HB2' HG12 ' F' ' 18' ' ' VAL . . . -91.98 124.05 35.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 73.140000000000001 111.133 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 61.03 75.11 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 72.120000000000005 110.876 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.642 ' CG1' HG23 ' G' ' 24' ' ' VAL . 3.7 p -130.66 141.7 45.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 55.130000000000003 111.125 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.3 -47.49 87.5 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.731 . . . . 74.120000000000005 112.481 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.75 141.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 50.149999999999999 110.847 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . 0.498 ' OD1' HG21 ' F' ' 31' ' ' ILE . 78.9 m-20 -99.78 104.83 16.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 65.420000000000002 110.886 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.49 162.05 16.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 51.329999999999998 110.899 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . 0.551 ' HA2' ' HB3' ' A' ' 3' ' ' GLU . . . 50.26 -134.66 28.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 72.329999999999998 112.479 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.78 112.96 24.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.724 0.297 . . . . 54.439999999999998 111.145 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.607 HG22 ' CE1' ' F' ' 20' ' ' PHE . 0.4 OUTLIER -126.89 129.48 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.418 . . . . 52.200000000000003 111.154 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 10.5 mt -135.91 116.2 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 54.130000000000003 111.204 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . 0.42 ' N ' ' CZ ' ' F' ' 20' ' ' PHE . . . -46.63 -55.24 8.24 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 74.530000000000001 112.465 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.835 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -160.15 152.91 21.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.835 0.35 . . . . 61.119999999999997 110.894 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 5.5 mtp -131.66 128.2 38.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 71.150000000000006 110.88 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 1.085 HG21 HG11 ' A' ' 36' ' ' VAL . 52.2 t -121.37 115.93 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 72.439999999999998 111.134 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.6 27.54 34.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 65.230000000000004 112.442 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.53 -177.79 16.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 70.409999999999997 112.451 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.571 ' O ' HG23 ' G' ' 39' ' ' VAL . 9.9 p -149.14 137.47 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.916 0.389 . . . . 53.240000000000002 111.089 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.486 ' C ' HG22 ' G' ' 40' ' ' VAL . 19.6 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 75.430000000000007 111.146 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.823 0.344 . . . . 73.140000000000001 110.833 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 2' ' ' ALA . . . . . 0.546 ' HB1' ' HG2' ' G' ' 5' ' ' ARG . . . -81.88 84.72 6.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 72.299999999999997 111.11 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 3' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' H' ' 3' ' ' GLU . 3.1 mm-40 -50.55 -32.27 18.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 60.210000000000001 110.85 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -165.66 115.85 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 72.540000000000006 110.84 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 5' ' ' ARG . . . . . 0.546 ' HG2' ' HB1' ' G' ' 2' ' ' ALA . 5.7 mmt85 -109.54 108.99 19.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 74.040000000000006 110.855 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -111.53 115.59 29.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 60.039999999999999 110.883 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -127.73 104.77 8.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 54.119999999999997 110.842 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . 0.487 ' O ' ' HA ' ' H' ' 8' ' ' SER . 79.5 p -146.72 126.06 13.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 74.150000000000006 110.897 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.09 -20.1 26.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 42.299999999999997 112.524 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . 0.409 ' HD1' HG23 ' G' ' 12' ' ' VAL . 0.8 OUTLIER -161.31 107.85 1.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 62.350000000000001 110.906 -179.807 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -105.61 119.48 39.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 52.240000000000002 110.91 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . 0.409 HG23 ' HD1' ' G' ' 10' ' ' TYR . 41.1 t -137.17 136.39 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 72.340000000000003 111.148 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -132.02 113.42 13.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 71.340000000000003 110.834 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -116.37 128.16 55.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 75.239999999999995 110.864 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . 0.574 ' HG3' HG12 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -130.82 134.77 47.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 74.150000000000006 110.912 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . 0.561 ' O ' HD22 ' G' ' 17' ' ' LEU . 8.5 tttp -124.89 125.47 44.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 74.219999999999999 110.89 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.666 ' HB2' HD13 ' H' ' 17' ' ' LEU . 4.5 mm? -126.73 101.06 6.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 64.329999999999998 110.895 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.815 HG12 ' HB2' ' G' ' 21' ' ' ALA . 1.5 t -109.17 114.23 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 75.150000000000006 111.149 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.458 ' HE1' HD12 ' G' ' 17' ' ' LEU . 4.3 m-85 -107.29 133.59 51.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 75.239999999999995 110.859 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 0.587 ' CE1' HG22 ' G' ' 31' ' ' ILE . 18.1 m-85 62.38 39.39 12.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 62.229999999999997 110.86 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . 0.815 ' HB2' HG12 ' G' ' 18' ' ' VAL . . . -91.47 127.31 36.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 52.210000000000001 111.105 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 56.43 75.72 0.33 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 71.349999999999994 110.859 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.691 HG11 HG23 ' H' ' 24' ' ' VAL . 8.4 p -128.73 140.05 50.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 54.520000000000003 111.13 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.87 -46.01 92.91 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 62.109999999999999 112.451 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.82 140.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.909 0.385 . . . . 71.150000000000006 110.886 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . 0.462 ' OD1' HG21 ' G' ' 31' ' ' ILE . 83.0 m-20 -102.1 103.83 14.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 53.219999999999999 110.897 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.25 163.98 13.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 64.230000000000004 110.892 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . 0.513 ' HA2' ' HB3' ' B' ' 3' ' ' GLU . . . 49.99 -134.62 27.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.743 . . . . 73.239999999999995 112.482 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.03 113.42 25.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.786 0.326 . . . . 74.420000000000002 111.109 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.587 HG22 ' CE1' ' G' ' 20' ' ' PHE . 0.5 OUTLIER -125.88 127.73 71.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 61.329999999999998 111.181 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 10.0 mt -134.03 116.72 23.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 71.120000000000005 111.123 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . 0.411 ' N ' ' CZ ' ' G' ' 20' ' ' PHE . . . -48.65 -57.24 8.64 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 53.25 112.471 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.848 HD22 ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -155.3 151.69 28.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 73.319999999999993 110.87 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 5.2 mtp -129.83 123.13 30.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 65.019999999999996 110.882 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 1.034 HG11 HG21 ' B' ' 36' ' ' VAL . 56.7 t -121.1 112.95 37.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 61.420000000000002 111.136 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.19 28.62 34.75 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.743 -0.741 . . . . 64.019999999999996 112.477 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.6 -177.79 16.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 72.430000000000007 112.519 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.574 HG12 ' HG3' ' B' ' 15' ' ' GLN . 7.3 p -149.81 134.84 10.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 72.439999999999998 111.148 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.507 ' C ' HG22 ' H' ' 40' ' ' VAL . 19.2 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 75.010000000000005 111.143 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.836 0.351 . . . . 73.239999999999995 110.815 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 2' ' ' ALA . . . . . 0.426 ' HB1' ' HG2' ' H' ' 5' ' ' ARG . . . -81.79 87.31 6.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 55.039999999999999 111.095 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 3' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' G' ' 3' ' ' GLU . 3.9 mm-40 -49.66 -33.98 17.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 74.209999999999994 110.945 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.95 115.33 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 73.150000000000006 110.844 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 5' ' ' ARG . . . . . 0.426 ' HG2' ' HB1' ' H' ' 2' ' ' ALA . 5.8 mmt85 -107.68 109.58 21.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 73.209999999999994 110.861 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -111.3 113.58 26.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 72.219999999999999 110.847 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -125.15 103.74 8.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 72.510000000000005 110.868 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . 0.495 ' O ' ' HA ' ' I' ' 8' ' ' SER . 79.7 p -145.95 125.92 13.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 74.549999999999997 110.851 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.12 -20.24 27.07 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 72.409999999999997 112.499 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . 0.408 ' HD1' HG23 ' H' ' 12' ' ' VAL . 0.9 OUTLIER -162.07 107.65 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 64.239999999999995 110.946 -179.848 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -105.43 119.71 39.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 62.149999999999999 110.89 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . 0.408 HG23 ' HD1' ' H' ' 10' ' ' TYR . 40.7 t -136.83 136.42 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 70.319999999999993 111.148 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -131.76 113.27 13.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 61.310000000000002 110.886 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -115.16 128.99 56.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 64.25 110.862 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . 0.529 ' HG3' HG12 ' C' ' 39' ' ' VAL . 0.0 OUTLIER -130.29 134.58 47.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 72.430000000000007 110.919 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . 0.633 ' O ' HD22 ' H' ' 17' ' ' LEU . 8.2 tttp -123.5 124.12 42.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.446 . . . . 75.439999999999998 110.911 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.666 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.6 mm? -129.19 101.16 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 71.420000000000002 110.936 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.827 HG12 ' HB2' ' H' ' 21' ' ' ALA . 1.2 t -110.6 115.39 49.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 65.030000000000001 111.091 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.459 ' HE1' HD12 ' H' ' 17' ' ' LEU . 2.9 m-85 -107.9 133.11 52.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 60.140000000000001 110.914 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . 0.555 ' HE1' HG22 ' H' ' 31' ' ' ILE . 19.1 m-85 61.12 39.94 15.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 64.420000000000002 110.867 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . 0.827 ' HB2' HG12 ' H' ' 18' ' ' VAL . . . -91.02 128.53 36.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 43.530000000000001 111.091 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 52.8 75.65 0.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 75.030000000000001 110.84 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.702 HG11 HG23 ' I' ' 24' ' ' VAL . 9.5 p -125.04 138.77 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 62.539999999999999 111.108 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.09 -44.98 94.46 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.772 -0.728 . . . . 53.530000000000001 112.46 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.28 136.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 74.140000000000001 110.815 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -101.82 103.44 14.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 73.109999999999999 110.869 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.97 164.21 13.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 70.400000000000006 110.858 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . 0.41 ' HA2' ' HB3' ' C' ' 3' ' ' GLU . . . 50.92 -134.97 31.04 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.705 -0.759 . . . . 34.049999999999997 112.474 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.78 113.8 26.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.748 0.309 . . . . 72.530000000000001 111.074 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.555 HG22 ' HE1' ' H' ' 20' ' ' PHE . 0.5 OUTLIER -127.14 127.39 69.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 73.0 111.118 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . 0.41 HG21 ' HG3' ' H' ' 35' ' ' MET . 7.8 mt -131.83 117.37 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 72.219999999999999 111.162 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.57 -57.28 9.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 64.439999999999998 112.449 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.871 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -153.89 149.19 27.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.852 0.358 . . . . 70.329999999999998 110.863 -179.884 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . 0.41 ' HG3' HG21 ' H' ' 32' ' ' ILE . 6.1 mtp -128.42 122.59 31.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 51.130000000000003 110.897 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 1.001 HG11 HG21 ' C' ' 36' ' ' VAL . 60.0 t -122.51 112.12 33.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.267 -0.424 . . . . 73.420000000000002 111.124 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.21 29.99 30.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.742 . . . . 75.319999999999993 112.472 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.33 -177.98 17.03 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.731 . . . . 34.25 112.5 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.534 HG13 HG23 ' I' ' 39' ' ' VAL . 7.5 p -149.64 132.71 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 64.319999999999993 111.153 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . 0.523 ' C ' HG22 ' I' ' 40' ' ' VAL . 18.2 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 62.43 111.136 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.773 0.321 . . . . 64.150000000000006 110.877 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 2' ' ' ALA . . . . . 0.412 ' HB1' ' HG2' ' I' ' 5' ' ' ARG . . . -83.42 92.0 7.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 30.32 111.082 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 3' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' H' ' 3' ' ' GLU . 4.2 mm-40 -49.61 -35.89 22.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 75.340000000000003 110.903 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -169.38 116.27 0.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 71.420000000000002 110.849 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 5' ' ' ARG . . . . . 0.412 ' HG2' ' HB1' ' I' ' 2' ' ' ALA . 5.7 mmt85 -105.7 108.78 20.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 74.340000000000003 110.869 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -110.24 113.27 25.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 74.010000000000005 110.801 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -124.95 103.85 8.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 64.25 110.873 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . 0.495 ' HA ' ' O ' ' H' ' 8' ' ' SER . 79.4 p -146.79 125.75 12.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 71.530000000000001 110.862 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.66 -20.83 26.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.783 -0.722 . . . . 51.409999999999997 112.507 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . 0.401 ' HD1' HG23 ' I' ' 12' ' ' VAL . 0.9 OUTLIER -162.12 108.47 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 74.129999999999995 110.886 -179.844 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -106.43 120.16 41.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 71.25 110.87 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 12' ' ' VAL . . . . . 0.401 HG23 ' HD1' ' I' ' 10' ' ' TYR . 41.1 t -137.13 136.28 47.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 71.049999999999997 111.098 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -130.97 113.4 13.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 71.129999999999995 110.859 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -114.07 130.62 56.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 63.229999999999997 110.866 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . 0.449 ' HG3' HG12 ' D' ' 39' ' ' VAL . 0.0 OUTLIER -131.57 133.96 45.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 70.340000000000003 110.921 -179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . 0.675 ' O ' HD22 ' I' ' 17' ' ' LEU . 8.3 tttp -122.0 121.54 37.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 74.319999999999993 110.894 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.675 HD22 ' O ' ' I' ' 16' ' ' LYS . 4.6 mm? -130.24 101.06 5.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 71.409999999999997 110.969 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . 0.832 HG12 ' HB2' ' I' ' 21' ' ' ALA . 0.7 OUTLIER -111.33 116.82 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 74.209999999999994 111.093 179.867 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . 0.481 ' HD2' HD12 ' J' ' 34' ' ' LEU . 2.1 m-85 -107.96 133.24 52.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 73.319999999999993 110.882 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . 0.479 ' HE1' HG22 ' I' ' 31' ' ' ILE . 18.1 m-85 59.42 39.31 22.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 73.450000000000003 110.894 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . 0.832 ' HB2' HG12 ' I' ' 18' ' ' VAL . . . -90.74 128.37 36.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 50.149999999999999 111.091 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 51.62 73.62 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 74.310000000000002 110.863 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.702 HG23 HG11 ' H' ' 24' ' ' VAL . 8.7 p -119.89 135.92 58.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 73.340000000000003 111.118 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.76 -43.69 91.85 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.749 -0.738 . . . . 63.420000000000002 112.472 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.99 132.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 72.219999999999999 110.849 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -101.39 102.41 13.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 71.409999999999997 110.916 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.63 164.73 12.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.319999999999993 110.877 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.71 -135.58 33.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 74.239999999999995 112.505 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.75 114.64 27.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.756 0.312 . . . . 64.549999999999997 111.145 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.479 HG22 ' HE1' ' I' ' 20' ' ' PHE . 0.5 OUTLIER -129.32 128.2 66.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 74.120000000000005 111.124 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . 0.478 HG21 ' HG3' ' I' ' 35' ' ' MET . 7.2 mt -130.42 117.41 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 71.420000000000002 111.111 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.77 -57.72 9.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 74.430000000000007 112.494 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.881 HD22 ' O ' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -152.58 146.3 25.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 72.099999999999994 110.936 -179.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . 0.478 ' HG3' HG21 ' I' ' 32' ' ' ILE . 6.3 mtp -128.62 122.5 31.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 75.329999999999998 110.835 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 1.022 HG21 HG11 ' D' ' 36' ' ' VAL . 57.6 t -125.05 112.89 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 62.420000000000002 111.123 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.36 29.71 31.19 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.701 -0.761 . . . . 60.43 112.513 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.41 -177.6 16.95 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.716 -0.754 . . . . 73.329999999999998 112.467 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 0.534 HG23 HG13 ' H' ' 39' ' ' VAL . 8.6 p -149.69 134.84 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.376 . . . . 74.349999999999994 111.18 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . 0.523 HG22 ' C ' ' H' ' 40' ' ' VAL . 18.0 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 53.210000000000001 111.11 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.842 0.353 . . . . 53.130000000000003 110.868 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.08 93.64 7.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 71.439999999999998 111.08 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' J' J ' 3' ' ' GLU . . . . . 0.414 ' O ' ' HA2' ' E' ' 29' ' ' GLY . 3.7 mm-40 -49.5 -40.4 37.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 71.340000000000003 110.859 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -165.91 119.68 1.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 72.230000000000004 110.903 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -100.53 108.07 19.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 73.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -110.78 111.14 22.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 75.230000000000004 110.887 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -123.15 103.29 8.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 60.130000000000003 110.841 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . 0.485 ' HA ' ' O ' ' I' ' 8' ' ' SER . 79.5 p -148.73 127.17 12.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 73.239999999999995 110.84 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.56 -20.18 37.37 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.739 . . . . 72.140000000000001 112.469 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -162.9 108.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 73.409999999999997 110.925 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -107.58 119.89 40.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 70.230000000000004 110.941 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 38.6 t -137.32 136.71 46.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 61.109999999999999 111.082 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' J' J ' 13' ' ' HIS . . . . . 0.412 ' HB3' HG21 ' E' ' 39' ' ' VAL . 33.4 m170 -129.97 113.43 14.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 73.040000000000006 110.834 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -112.71 131.31 55.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 72.200000000000003 110.842 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.51 137.52 47.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 64.420000000000002 110.893 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . 0.707 ' O ' HD22 ' J' ' 17' ' ' LEU . 7.7 tttp -123.29 119.82 31.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 74.439999999999998 110.901 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.707 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.5 mm? -131.62 100.46 5.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 72.140000000000001 110.875 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.786 HG12 ' HB2' ' J' ' 21' ' ' ALA . 0.2 OUTLIER -110.37 121.44 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 64.420000000000002 111.121 179.811 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.459 ' HE1' HD12 ' J' ' 17' ' ' LEU . 1.7 m-85 -111.3 132.26 54.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 75.400000000000006 110.909 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . 0.416 ' HE1' HG22 ' J' ' 31' ' ' ILE . 19.7 m-85 57.53 38.08 27.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 73.310000000000002 110.859 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . 0.786 ' HB2' HG12 ' J' ' 18' ' ' VAL . . . -90.75 129.86 36.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 51.329999999999998 111.136 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 50.82 74.52 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 62.229999999999997 110.901 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.681 HG23 HG11 ' I' ' 24' ' ' VAL . 7.7 p -119.11 135.03 60.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 64.340000000000003 111.076 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.52 -41.63 97.29 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 74.200000000000003 112.513 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.59 127.13 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.864 0.364 . . . . 74.439999999999998 110.867 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . 0.404 ' OD1' HG21 ' J' ' 24' ' ' VAL . 76.0 m-20 -101.38 99.93 10.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 72.420000000000002 110.882 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.87 168.84 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 74.200000000000003 110.903 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.19 -135.66 35.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 60.420000000000002 112.436 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 0.425 ' HB2' ' CD1' ' E' ' 4' ' ' PHE . . . -94.12 114.1 26.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.764 0.316 . . . . 72.099999999999994 111.09 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.416 HG22 ' HE1' ' J' ' 20' ' ' PHE . 0.6 OUTLIER -128.26 127.37 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 73.450000000000003 111.078 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . 0.532 HG21 ' HG3' ' J' ' 35' ' ' MET . 7.3 mt -126.18 115.2 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 73.019999999999996 111.099 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . 0.489 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -49.49 -55.61 12.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.688 -0.768 . . . . 74.230000000000004 112.542 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.823 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -152.85 149.25 28.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 72.450000000000003 110.888 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . 0.532 ' HG3' HG21 ' J' ' 32' ' ' ILE . 7.4 mtp -132.29 121.49 23.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 75.340000000000003 110.849 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.997 HG11 HG21 ' E' ' 36' ' ' VAL . 57.8 t -128.92 110.99 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 63.119999999999997 111.13 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.62 29.39 24.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.731 . . . . 61.329999999999998 112.452 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.98 -177.0 17.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.772 -0.728 . . . . 51.020000000000003 112.451 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.505 HG21 ' HB3' ' E' ' 13' ' ' HIS . 9.2 p -149.01 136.33 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 64.430000000000007 111.119 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.504 HG22 ' C ' ' I' ' 40' ' ' VAL . 18.5 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 64.140000000000001 111.128 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.791 0.329 . . . . 74.409999999999997 110.869 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.41 72.33 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 62.509999999999998 111.071 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -52.0 -32.14 32.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 75.5 110.824 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.614 ' CE2' ' HB2' ' F' ' 30' ' ' ALA . 0.2 OUTLIER -158.59 113.0 2.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 64.420000000000002 110.891 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.42 107.28 6.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 75.109999999999999 110.925 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -108.02 123.93 49.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 75.430000000000007 110.841 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -126.16 100.47 6.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 54.25 110.902 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.2 t -149.33 176.36 10.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 60.140000000000001 110.876 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.4 -12.24 29.36 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.729 -0.748 . . . . 72.150000000000006 112.464 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.38 113.04 0.28 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.851 0.358 . . . . 72.319999999999993 110.939 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -106.49 124.82 50.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 73.340000000000003 110.883 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -136.78 113.94 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 72.140000000000001 111.116 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -121.82 117.08 25.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 73.329999999999998 110.887 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -126.25 129.91 49.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 53.329999999999998 110.815 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -132.36 135.14 45.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 72.099999999999994 110.912 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -124.38 125.76 44.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 65.329999999999998 110.855 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.604 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.4 mm? -120.59 101.73 7.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 53.43 110.906 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.549 HG12 ' HB2' ' A' ' 21' ' ' ALA . 2.1 t -112.46 115.61 50.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 63.539999999999999 111.098 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.539 ' HE1' HD12 ' A' ' 17' ' ' LEU . 5.0 m-85 -103.91 142.13 34.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 73.329999999999998 110.915 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.644 ' HE1' HG22 ' A' ' 31' ' ' ILE . 24.2 m-85 62.97 33.84 14.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 74.5 110.942 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.549 ' HB2' HG12 ' A' ' 18' ' ' VAL . . . -89.47 134.24 34.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 63.200000000000003 111.121 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 61.83 76.7 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 73.120000000000005 110.877 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.2 p -146.1 145.02 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 71.310000000000002 111.115 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.19 -46.24 94.89 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 61.509999999999998 112.503 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.5 152.18 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 62.149999999999999 110.905 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.79 99.73 9.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 74.450000000000003 110.928 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.93 151.68 38.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 65.450000000000003 110.936 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.55 -125.55 26.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.808 -0.71 . . . . 53.140000000000001 112.474 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.643 ' HB2' ' CE2' ' F' ' 4' ' ' PHE . . . -102.81 113.75 27.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.756 0.312 . . . . 74.329999999999998 111.139 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.928 HD13 HG23 ' B' ' 31' ' ' ILE . 0.1 OUTLIER -132.67 125.75 53.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 74.140000000000001 111.145 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.0 mt -130.91 119.96 46.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 71.109999999999999 111.126 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.99 -57.12 15.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.751 . . . . 73.349999999999994 112.475 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.874 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -156.29 149.37 24.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 74.349999999999994 110.913 -179.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.93 129.4 49.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 71.439999999999998 110.86 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.803 HG21 HG11 ' F' ' 36' ' ' VAL . 11.0 t -118.43 110.17 29.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 73.409999999999997 111.084 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.65 -55.07 4.69 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 45.329999999999998 112.491 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.55 162.21 54.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.776 -0.726 . . . . 53.200000000000003 112.473 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.815 ' C ' HG21 ' B' ' 39' ' ' VAL . 7.6 p -156.51 143.69 10.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.842 0.353 . . . . 74.319999999999993 111.1 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.6 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 71.019999999999996 111.135 179.901 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 . . . . . 0 C--O 1.23 0.029 0 CA-C-O 120.825 0.345 . . . . 74.540000000000006 110.895 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . 0.427 ' HA ' ' HB3' ' C' ' 2' ' ' ALA . . . -114.83 72.67 0.8 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 54.450000000000003 111.078 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -49.79 -30.52 9.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 65.319999999999993 110.891 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.616 ' CE2' ' HB2' ' G' ' 30' ' ' ALA . 0.2 OUTLIER -158.45 111.91 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 74.010000000000005 110.924 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.97 106.88 7.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.010000000000005 110.902 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -108.18 124.36 50.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 74.319999999999993 110.858 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -128.94 99.83 5.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 65.140000000000001 110.909 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 16.2 t -147.34 175.88 10.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 70.25 110.876 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.21 -12.48 31.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 63.229999999999997 112.459 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.65 111.77 0.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.87 0.366 . . . . 64.549999999999997 110.943 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -104.92 124.17 49.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.501 . . . . 74.129999999999995 110.907 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 t -134.47 114.07 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 72.450000000000003 111.17 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 59.2 m170 -120.97 119.59 32.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 62.329999999999998 110.868 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -125.82 132.79 52.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 73.25 110.842 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -130.84 133.03 45.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 65.519999999999996 110.911 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.561 ' O ' HD22 ' B' ' 17' ' ' LEU . 5.5 tttp -122.78 126.49 47.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 74.530000000000001 110.918 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.604 HD13 ' HB2' ' A' ' 17' ' ' LEU . 4.6 mm? -127.83 100.57 5.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 74.239999999999995 110.865 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.762 HG12 ' HB2' ' B' ' 21' ' ' ALA . 1.9 t -112.64 118.83 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 62.32 111.141 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.472 ' HE1' HD12 ' B' ' 17' ' ' LEU . 2.1 m-85 -108.96 138.01 45.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 75.549999999999997 110.897 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.634 ' HE1' HG22 ' B' ' 31' ' ' ILE . 27.8 m-85 63.85 30.58 14.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 75.5 110.898 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.762 ' HB2' HG12 ' B' ' 18' ' ' VAL . . . -88.66 133.32 34.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 71.310000000000002 111.073 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.97 76.41 0.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 61.219999999999999 110.813 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.41 ' CG1' HG23 ' C' ' 24' ' ' VAL . 11.5 p -145.82 143.85 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 75.230000000000004 111.095 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.5 -45.5 95.45 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.783 -0.722 . . . . 55.520000000000003 112.496 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.82 151.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.367 . . . . 73.349999999999994 110.855 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.79 100.21 9.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 75.25 110.86 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.77 151.73 38.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 63.409999999999997 110.909 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.22 -125.38 24.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 44.420000000000002 112.455 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.679 ' O ' HD12 ' A' ' 31' ' ' ILE . . . -102.94 113.12 26.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.742 0.305 . . . . 61.210000000000001 111.099 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.928 HG23 HD13 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -132.26 123.47 50.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 52.43 111.13 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 mt -129.74 119.96 48.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 72.030000000000001 111.138 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.03 -59.11 9.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 54.340000000000003 112.491 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.903 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -153.06 147.52 25.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 72.140000000000001 110.955 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.528 ' CE ' HG23 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -127.03 123.22 36.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 63.130000000000003 110.856 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.896 HG21 HG11 ' G' ' 36' ' ' VAL . 6.7 t -117.9 111.66 35.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 74.519999999999996 111.091 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.4 -58.94 4.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.788 -0.72 . . . . 72.219999999999999 112.486 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.7 157.23 45.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 70.430000000000007 112.523 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.825 ' C ' HG21 ' C' ' 39' ' ' VAL . 8.5 p -158.09 144.99 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.383 . . . . 70.25 111.138 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.531 ' N ' HG21 ' C' ' 39' ' ' VAL . 13.2 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 73.140000000000001 111.113 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.853 0.359 . . . . 75.299999999999997 110.837 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 2' ' ' ALA . . . . . 0.427 ' HB3' ' HA ' ' B' ' 2' ' ' ALA . . . -114.64 72.32 0.78 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 64.549999999999997 111.129 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . 0.401 ' HG2' ' HA3' ' I' ' 29' ' ' GLY . 1.7 mp0 -50.31 -30.66 12.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 61.439999999999998 110.871 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . 0.606 ' CE2' ' HB2' ' H' ' 30' ' ' ALA . 0.2 OUTLIER -158.42 112.21 2.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 73.239999999999995 110.837 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.93 106.98 8.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 65.310000000000002 110.882 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -109.11 122.97 48.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 63.119999999999997 110.872 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -128.71 100.13 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 74.299999999999997 110.9 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 16.4 t -147.41 175.62 10.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 60.399999999999999 110.836 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.52 -12.07 31.67 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.764 -0.731 . . . . 73.349999999999994 112.524 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.58 111.4 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 74.420000000000002 110.937 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -105.47 123.81 48.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 65.310000000000002 110.867 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 t -133.19 113.91 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 73.340000000000003 111.108 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 58.6 m170 -120.85 118.03 28.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 71.209999999999994 110.872 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -124.27 134.04 53.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 62.140000000000001 110.852 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -130.21 132.97 46.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 73.129999999999995 110.906 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.659 ' O ' HD22 ' C' ' 17' ' ' LEU . 5.6 tttp -121.57 125.16 46.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 74.329999999999998 110.945 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.659 HD22 ' O ' ' C' ' 16' ' ' LYS . 4.6 mm? -130.51 100.47 5.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 65.200000000000003 110.885 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.773 HG12 ' HB2' ' C' ' 21' ' ' ALA . 1.4 t -113.8 119.76 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.219999999999999 111.088 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.449 ' HE1' HD12 ' C' ' 17' ' ' LEU . 1.4 m-85 -109.97 137.17 48.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 72.030000000000001 110.904 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.593 ' HE1' HG22 ' C' ' 31' ' ' ILE . 25.2 m-85 63.16 29.96 16.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 65.129999999999995 110.887 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 0.773 ' HB2' HG12 ' C' ' 18' ' ' VAL . . . -88.94 135.27 33.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 75.200000000000003 111.057 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 58.54 77.04 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 73.439999999999998 110.895 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.468 ' CG1' HG23 ' D' ' 24' ' ' VAL . 11.8 p -144.93 143.18 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 45.229999999999997 111.141 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.9 -45.59 94.85 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.737 . . . . 63.039999999999999 112.509 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.96 150.21 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.907 0.384 . . . . 63.43 110.826 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.43 99.94 9.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 71.430000000000007 110.885 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.4 152.25 37.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 65.239999999999995 110.889 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.45 -125.68 23.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 53.210000000000001 112.494 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.713 ' O ' HD12 ' B' ' 31' ' ' ILE . . . -103.41 113.12 26.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.694 0.283 . . . . 72.450000000000003 111.114 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.901 HG23 HD13 ' B' ' 31' ' ' ILE . 0.1 OUTLIER -132.3 123.32 50.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 71.129999999999995 111.155 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 mt -129.09 119.67 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 75.530000000000001 111.115 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.9 -59.55 8.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 75.329999999999998 112.518 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.918 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -152.61 146.17 24.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.821 0.343 . . . . 62.43 110.876 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.731 ' CE ' HG23 ' C' ' 39' ' ' VAL . 0.0 OUTLIER -127.74 122.36 32.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 52.109999999999999 110.924 179.836 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.928 HG11 HG21 ' H' ' 36' ' ' VAL . 5.7 t -118.93 110.43 29.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 72.150000000000006 111.14 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.84 -58.26 3.88 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 70.430000000000007 112.509 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.24 158.61 46.07 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.742 . . . . 45.329999999999998 112.535 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.825 HG21 ' C ' ' B' ' 39' ' ' VAL . 7.7 p -163.36 149.33 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 65.230000000000004 111.097 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.613 ' N ' HG21 ' D' ' 39' ' ' VAL . 9.7 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 63.119999999999997 111.113 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.848 0.356 . . . . 75.200000000000003 110.904 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.48 72.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 52.43 111.061 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 3' ' ' GLU . . . . . 0.407 ' HG2' ' HA3' ' J' ' 29' ' ' GLY . 1.7 mp0 -51.02 -30.12 14.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 73.409999999999997 110.915 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 4' ' ' PHE . . . . . 0.591 ' CE2' ' HB2' ' I' ' 30' ' ' ALA . 0.2 OUTLIER -158.9 112.28 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 75.299999999999997 110.866 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.48 107.37 9.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 64.25 110.914 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -109.21 121.29 44.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 72.549999999999997 110.882 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -127.92 100.25 5.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 74.409999999999997 110.892 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 15.9 t -147.5 175.3 10.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 52.25 110.844 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.09 -11.51 31.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.742 . . . . 60.210000000000001 112.507 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.32 111.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.852 0.358 . . . . 74.519999999999996 110.928 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -105.39 124.69 49.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 74.450000000000003 110.841 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.87 114.12 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 71.340000000000003 111.089 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -121.65 118.0 28.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 75.239999999999995 110.851 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -124.84 135.41 52.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 72.510000000000005 110.854 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -130.42 133.04 46.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 55.450000000000003 110.845 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . 0.683 ' O ' HD22 ' D' ' 17' ' ' LEU . 5.4 tttp -120.72 121.71 38.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 75.140000000000001 110.896 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.683 HD22 ' O ' ' D' ' 16' ' ' LYS . 4.5 mm? -131.0 99.81 5.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 72.140000000000001 110.921 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.775 HG12 ' HB2' ' D' ' 21' ' ' ALA . 0.7 OUTLIER -113.67 121.67 66.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.219999999999999 111.147 179.859 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.451 ' N ' ' CD1' ' D' ' 19' ' ' PHE . 1.0 OUTLIER -111.64 137.73 49.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 71.120000000000005 110.87 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.569 ' HE1' HG22 ' D' ' 31' ' ' ILE . 20.3 m-85 61.45 28.52 17.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 71.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . 0.775 ' HB2' HG12 ' D' ' 18' ' ' VAL . . . -89.63 136.83 32.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 63.340000000000003 111.076 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 56.56 78.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.430000000000007 110.908 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.47 ' CG1' HG23 ' E' ' 24' ' ' VAL . 11.4 p -145.6 141.74 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 72.540000000000006 111.08 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.09 -44.62 94.63 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 64.019999999999996 112.485 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.6 148.46 0.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.898 0.38 . . . . 52.5 110.858 -179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -104.22 99.43 9.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 60.539999999999999 110.875 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.28 153.12 36.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 72.230000000000004 110.918 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.23 -126.53 22.92 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.67 -0.776 . . . . 42.329999999999998 112.501 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.715 ' O ' HD12 ' C' ' 31' ' ' ILE . . . -103.65 112.83 25.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.765 0.317 . . . . 72.319999999999993 111.135 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.655 HG23 HD13 ' C' ' 31' ' ' ILE . 0.2 OUTLIER -133.97 123.29 44.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 72.420000000000002 111.12 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.442 HD13 ' SD ' ' D' ' 35' ' ' MET . 6.6 mt -128.11 119.77 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 62.210000000000001 111.146 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.0 -61.46 6.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 64.040000000000006 112.483 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.917 HD22 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -151.31 144.22 24.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.778 0.323 . . . . 63.340000000000003 110.948 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.758 ' CE ' HG23 ' D' ' 39' ' ' VAL . 0.0 OUTLIER -128.94 123.37 32.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 75.200000000000003 110.839 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.945 HG11 HG21 ' I' ' 36' ' ' VAL . 6.7 t -121.78 109.14 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 65.319999999999993 111.143 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.9 -59.16 3.49 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 72.329999999999998 112.461 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.55 159.59 48.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 70.530000000000001 112.492 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.788 HG21 ' C ' ' C' ' 39' ' ' VAL . 8.7 p -165.86 153.62 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.37 . . . . 74.420000000000002 111.099 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.567 ' N ' HG21 ' E' ' 39' ' ' VAL . 9.0 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 75.040000000000006 111.167 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.815 0.341 . . . . 74.120000000000005 110.849 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.65 72.35 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 62.420000000000002 111.146 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -51.32 -29.75 16.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 43.420000000000002 110.864 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 4' ' ' PHE . . . . . 0.531 ' CE2' ' HB2' ' J' ' 30' ' ' ALA . 0.3 OUTLIER -158.81 114.34 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 55.049999999999997 110.898 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.17 107.52 9.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 72.400000000000006 110.848 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -109.36 120.54 42.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 72.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -128.44 99.95 5.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 73.310000000000002 110.816 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 16.3 t -148.49 172.71 14.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 73.099999999999994 110.823 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.09 -11.77 35.92 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 75.219999999999999 112.481 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.38 110.43 0.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.87 0.367 . . . . 75.329999999999998 110.931 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -105.24 125.95 51.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 52.130000000000003 110.917 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.33 118.04 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 61.539999999999999 111.08 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -120.39 118.85 31.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 73.540000000000006 110.882 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -122.46 135.71 54.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 72.439999999999998 110.868 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -133.69 134.61 43.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 74.310000000000002 110.906 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . 0.711 ' O ' HD22 ' E' ' 17' ' ' LEU . 4.7 tttp -122.77 120.5 33.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 70.329999999999998 110.887 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.711 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.3 mm? -133.09 99.88 4.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 61.450000000000003 110.885 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.732 HG12 ' HB2' ' E' ' 21' ' ' ALA . 0.2 OUTLIER -112.96 124.3 69.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 70.209999999999994 111.07 179.847 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.466 ' HE1' HD12 ' E' ' 17' ' ' LEU . 0.8 OUTLIER -114.92 136.5 53.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 63.310000000000002 110.884 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.489 ' HE1' HG22 ' E' ' 31' ' ' ILE . 21.7 m-85 58.88 28.21 17.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 55.329999999999998 110.862 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . 0.732 ' HB2' HG12 ' E' ' 18' ' ' VAL . . . -92.17 138.77 31.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 72.5 111.058 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 55.33 78.4 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 62.340000000000003 110.842 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.47 HG23 ' CG1' ' D' ' 24' ' ' VAL . 11.4 p -145.82 139.63 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 73.129999999999995 111.115 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.9 -43.9 92.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.754 . . . . 74.120000000000005 112.505 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . 0.401 ' H ' HG22 ' E' ' 24' ' ' VAL . 0.6 OUTLIER -179.89 145.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.88 0.371 . . . . 62.409999999999997 110.887 -179.744 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.68 99.04 8.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 74.109999999999999 110.872 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . 0.465 ' C ' HD11 ' E' ' 31' ' ' ILE . 0.4 OUTLIER -121.44 154.05 37.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 74.5 110.898 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.79 -127.51 22.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.714 -0.755 . . . . 51.299999999999997 112.509 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.596 ' O ' HD12 ' D' ' 31' ' ' ILE . . . -104.0 112.63 25.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.758 0.313 . . . . 60.149999999999999 111.067 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.489 HG22 ' HE1' ' E' ' 20' ' ' PHE . 0.4 OUTLIER -135.32 124.14 40.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 75.439999999999998 111.144 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.474 HD13 ' SD ' ' E' ' 35' ' ' MET . 7.7 mt -126.57 120.02 55.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 72.439999999999998 111.143 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.26 -59.39 8.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 25.239999999999998 112.518 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.842 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -151.67 146.45 25.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.342 . . . . 73.140000000000001 110.901 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.624 ' CE ' HG23 ' E' ' 39' ' ' VAL . 0.2 OUTLIER -137.12 122.7 19.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 70.219999999999999 110.846 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.894 HG11 HG21 ' J' ' 36' ' ' VAL . 16.1 t -125.68 108.27 19.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 73.209999999999994 111.164 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.84 -59.24 3.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 75.340000000000003 112.489 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.71 160.24 46.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 73.099999999999994 112.462 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.72 HG11 ' O ' ' D' ' 39' ' ' VAL . 12.6 p -165.82 151.96 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.342 . . . . 71.519999999999996 111.149 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 75.519999999999996 111.1 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.813 0.339 . . . . 62.210000000000001 110.841 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.64 72.91 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.409999999999997 111.108 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -51.85 -32.3 31.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 74.219999999999999 110.919 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 4' ' ' PHE . . . . . 0.643 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -157.74 114.12 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 74.349999999999994 110.837 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.6 107.52 6.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 74.510000000000005 110.878 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -107.35 123.13 47.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 70.409999999999997 110.872 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -124.63 100.97 6.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 62.420000000000002 110.872 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 16.8 t -150.16 176.33 10.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 74.140000000000001 110.854 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.61 -12.22 27.01 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.754 -0.736 . . . . 73.140000000000001 112.481 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.43 111.8 0.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.88 0.371 . . . . 73.540000000000006 110.89 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -106.07 123.8 48.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.502 . . . . 62.020000000000003 110.902 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -137.89 112.9 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 53.409999999999997 111.117 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 64.9 m170 -121.72 120.36 34.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 73.450000000000003 110.84 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -126.2 129.35 48.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 63.310000000000002 110.861 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -130.59 134.56 47.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 64.400000000000006 110.903 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -124.38 124.97 43.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 71.239999999999995 110.885 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.596 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.3 mm? -119.8 101.61 8.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.433 . . . . 74.420000000000002 110.935 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.54 HG12 ' HB2' ' F' ' 21' ' ' ALA . 2.1 t -112.42 115.49 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 72.549999999999997 111.112 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.534 ' HE1' HD12 ' F' ' 17' ' ' LEU . 5.1 m-85 -103.12 142.13 34.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 73.040000000000006 110.897 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . 0.67 ' HE1' HG22 ' F' ' 31' ' ' ILE . 23.9 m-85 63.09 33.73 14.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 74.420000000000002 110.909 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . 0.54 ' HB2' HG12 ' F' ' 18' ' ' VAL . . . -89.33 135.11 33.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 73.409999999999997 111.066 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 62.05 76.34 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 61.210000000000001 110.913 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 11.6 p -146.43 144.23 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 72.510000000000005 111.138 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.82 -45.96 95.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 63.240000000000002 112.49 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.17 151.28 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.368 . . . . 70.230000000000004 110.911 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.46 99.2 9.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 42.329999999999998 110.914 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -120.12 151.51 38.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 74.219999999999999 110.863 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.35 -126.77 25.82 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.75 -0.738 . . . . 71.439999999999998 112.542 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.614 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . . . -102.54 114.04 27.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.767 0.318 . . . . 64.439999999999998 111.09 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.925 HD13 HG23 ' G' ' 31' ' ' ILE . 0.1 OUTLIER -132.48 126.36 55.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 41.149999999999999 111.157 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 mt -130.3 119.34 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 71.329999999999998 111.128 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . 0.403 ' N ' ' CZ ' ' F' ' 20' ' ' PHE . . . -52.8 -58.33 11.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 61.299999999999997 112.496 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.86 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -155.81 149.22 24.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.841 0.353 . . . . 62.530000000000001 110.902 -179.883 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -125.36 128.16 47.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 73.310000000000002 110.893 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.803 HG11 HG21 ' A' ' 36' ' ' VAL . 15.5 t -117.94 110.36 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 72.519999999999996 111.158 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.67 -55.73 4.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 54.219999999999999 112.542 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.39 157.69 49.83 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.713 -0.756 . . . . 55.549999999999997 112.525 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.807 ' C ' HG21 ' G' ' 39' ' ' VAL . 11.1 p -156.8 141.78 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.35 . . . . 71.230000000000004 111.115 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.425 ' N ' HG21 ' G' ' 39' ' ' VAL . 11.0 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 70.519999999999996 111.074 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.826 0.345 . . . . 74.540000000000006 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' G' G ' 2' ' ' ALA . . . . . 0.417 ' HA ' ' HB3' ' H' ' 2' ' ' ALA . . . -114.33 73.2 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 73.230000000000004 111.133 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -50.64 -30.79 14.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 75.25 110.859 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 4' ' ' PHE . . . . . 0.63 ' CE2' ' HB2' ' B' ' 30' ' ' ALA . 0.2 OUTLIER -157.67 112.7 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 54.340000000000003 110.924 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.92 106.85 7.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 74.209999999999994 110.864 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -107.77 122.95 47.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 70.109999999999999 110.811 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -127.26 99.96 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 73.140000000000001 110.874 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' H' ' 8' ' ' SER . 16.6 t -147.92 176.08 10.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 74.510000000000005 110.852 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.6 -13.16 28.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 52.329999999999998 112.492 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.9 111.29 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.373 . . . . 74.129999999999995 110.9 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -105.18 124.19 49.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 72.120000000000005 110.89 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -135.28 113.43 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 64.310000000000002 111.118 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 65.5 m170 -120.24 120.27 35.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 73.109999999999999 110.876 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -123.78 132.88 53.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 74.099999999999994 110.882 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -129.94 132.82 46.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 60.409999999999997 110.906 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . 0.573 ' O ' HD22 ' G' ' 17' ' ' LEU . 5.4 tttp -123.28 126.3 46.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 73.439999999999998 110.937 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.596 HD13 ' HB2' ' F' ' 17' ' ' LEU . 4.5 mm? -127.94 100.55 5.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 70.329999999999998 110.924 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.782 HG12 ' HB2' ' G' ' 21' ' ' ALA . 1.9 t -112.73 118.87 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 74.239999999999995 111.102 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.477 ' HE1' HD12 ' G' ' 17' ' ' LEU . 2.1 m-85 -108.73 137.82 46.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 74.329999999999998 110.935 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 0.631 ' HE1' HG22 ' G' ' 31' ' ' ILE . 27.5 m-85 64.02 30.87 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 74.409999999999997 110.891 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . 0.782 ' HB2' HG12 ' G' ' 18' ' ' VAL . . . -88.81 134.34 33.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 62.310000000000002 111.103 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.75 76.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 62.310000000000002 110.884 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 11.3 p -146.08 143.44 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 73.439999999999998 111.131 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.9 -45.12 96.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.744 . . . . 44.549999999999997 112.473 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.21 151.38 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.913 0.387 . . . . 50.240000000000002 110.851 -179.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.97 99.76 9.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 73.129999999999995 110.869 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -119.84 152.42 37.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 73.549999999999997 110.914 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.43 -125.87 24.29 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.783 -0.723 . . . . 42.409999999999997 112.445 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.677 ' O ' HD12 ' F' ' 31' ' ' ILE . . . -103.11 113.19 26.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.779 0.323 . . . . 61.549999999999997 111.123 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.925 HG23 HD13 ' F' ' 31' ' ' ILE . 0.1 OUTLIER -131.88 123.47 51.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 72.109999999999999 111.137 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 mt -129.46 119.42 48.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 72.099999999999994 111.1 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.82 -60.31 7.63 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 45.329999999999998 112.485 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.893 HD22 ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -152.22 147.93 26.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.76 0.314 . . . . 73.340000000000003 110.955 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.566 ' CE ' HG23 ' G' ' 39' ' ' VAL . 0.0 OUTLIER -126.95 122.2 33.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 74.209999999999994 110.886 179.849 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.896 HG11 HG21 ' B' ' 36' ' ' VAL . 14.0 t -117.94 111.68 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 70.510000000000005 111.107 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.1 -57.1 4.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 75.540000000000006 112.487 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.52 154.59 38.48 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 72.450000000000003 112.442 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.834 ' C ' HG21 ' H' ' 39' ' ' VAL . 9.2 p -157.81 144.39 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 75.040000000000006 111.083 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.558 ' N ' HG21 ' H' ' 39' ' ' VAL . 8.9 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 72.019999999999996 111.13 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.832 0.349 . . . . 72.439999999999998 110.878 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' H' H ' 2' ' ' ALA . . . . . 0.417 ' HB3' ' HA ' ' G' ' 2' ' ' ALA . . . -114.44 73.37 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 71.209999999999994 111.071 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -50.27 -31.09 13.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 73.209999999999994 110.905 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 4' ' ' PHE . . . . . 0.616 ' CE2' ' HB2' ' C' ' 30' ' ' ALA . 0.2 OUTLIER -158.0 112.58 2.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 71.239999999999995 110.912 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.52 107.01 8.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 73.230000000000004 110.881 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -108.84 121.78 45.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 72.329999999999998 110.864 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -128.17 99.89 5.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 53.149999999999999 110.901 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' G' ' 8' ' ' SER . 16.4 t -147.01 175.62 10.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 54.100000000000001 110.883 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.86 -12.66 31.58 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.754 -0.736 . . . . 61.420000000000002 112.484 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.75 111.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 74.299999999999997 110.962 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -105.55 124.0 48.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 51.310000000000002 110.898 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 t -134.49 113.51 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 74.319999999999993 111.134 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -120.51 118.71 30.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 75.239999999999995 110.864 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -122.81 135.6 54.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 73.329999999999998 110.897 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -130.82 132.52 45.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 72.109999999999999 110.933 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . 0.655 ' O ' HD22 ' H' ' 17' ' ' LEU . 5.6 tttp -121.7 124.18 43.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 63.310000000000002 110.901 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.655 HD22 ' O ' ' H' ' 16' ' ' LYS . 4.6 mm? -130.13 100.41 5.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 72.439999999999998 110.919 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.779 HG12 ' HB2' ' H' ' 21' ' ' ALA . 1.4 t -114.07 119.49 61.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 72.329999999999998 111.073 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.458 ' HE1' HD12 ' H' ' 17' ' ' LEU . 1.4 m-85 -109.37 137.03 47.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 73.319999999999993 110.89 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . 0.598 ' HE1' HG22 ' H' ' 31' ' ' ILE . 25.4 m-85 63.22 30.31 15.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 70.310000000000002 110.879 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . 0.779 ' HB2' HG12 ' H' ' 18' ' ' VAL . . . -89.06 135.36 33.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 72.25 111.102 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 58.78 77.68 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 55.409999999999997 110.904 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.44 ' CG1' HG23 ' I' ' 24' ' ' VAL . 11.6 p -145.81 143.25 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 75.239999999999995 111.107 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.33 -45.48 95.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.749 . . . . 71.129999999999995 112.454 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.45 149.9 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 64.239999999999995 110.864 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.52 99.43 9.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 75.530000000000001 110.958 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -119.53 152.22 37.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 64.329999999999998 110.882 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.15 -126.3 22.82 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.725 -0.75 . . . . 63.509999999999998 112.492 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . 0.699 ' O ' HD12 ' G' ' 31' ' ' ILE . . . -103.18 112.97 26.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.741 0.305 . . . . 50.439999999999998 111.098 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.872 HG23 HD13 ' G' ' 31' ' ' ILE . 0.1 OUTLIER -132.22 123.62 50.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 50.509999999999998 111.109 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 mt -129.27 119.43 48.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 70.310000000000002 111.17 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.93 -60.12 7.92 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 73.040000000000006 112.502 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.91 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -152.0 146.06 25.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 75.230000000000004 110.874 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . 0.709 ' CE ' HG23 ' H' ' 39' ' ' VAL . 0.0 OUTLIER -127.43 122.51 33.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 72.219999999999999 110.845 179.86 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.928 HG21 HG11 ' C' ' 36' ' ' VAL . 12.1 t -119.45 111.12 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 51.229999999999997 111.124 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.48 -58.55 3.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.736 . . . . 65.420000000000002 112.475 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.26 157.86 45.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 73.319999999999993 112.5 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.834 HG21 ' C ' ' G' ' 39' ' ' VAL . 7.7 p -162.38 147.46 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 63.109999999999999 111.066 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . 0.633 ' N ' HG21 ' I' ' 39' ' ' VAL . 10.2 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 75.200000000000003 111.128 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.792 0.329 . . . . 73.129999999999995 110.852 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.44 72.71 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 74.150000000000006 111.045 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -51.34 -30.51 18.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 54.399999999999999 110.84 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 4' ' ' PHE . . . . . 0.589 ' CE2' ' HB2' ' D' ' 30' ' ' ALA . 0.2 OUTLIER -158.74 112.8 2.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 74.310000000000002 110.902 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.02 107.56 9.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 72.519999999999996 110.875 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -108.91 120.57 42.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 70.409999999999997 110.84 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -128.31 100.09 5.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 74.329999999999998 110.885 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 16.6 t -147.17 175.14 10.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 71.430000000000007 110.885 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.45 -11.87 32.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 64.340000000000003 112.5 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.55 111.05 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.803 0.335 . . . . 72.230000000000004 110.938 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -104.86 125.24 50.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 74.519999999999996 110.861 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 22.0 t -134.65 114.26 17.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 73.430000000000007 111.105 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 58.5 m170 -121.47 118.64 29.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 73.510000000000005 110.854 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -123.94 135.71 53.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 71.349999999999994 110.872 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -130.61 132.81 45.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 72.439999999999998 110.972 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . 0.696 ' O ' HD22 ' I' ' 17' ' ' LEU . 5.4 tttp -120.86 121.64 38.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 73.549999999999997 110.931 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.696 HD22 ' O ' ' I' ' 16' ' ' LYS . 4.5 mm? -131.27 99.66 4.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.438 . . . . 72.310000000000002 110.893 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . 0.765 HG12 ' HB2' ' I' ' 21' ' ' ALA . 0.7 OUTLIER -113.75 122.05 67.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 74.030000000000001 111.133 179.837 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . 0.441 ' HE1' HD12 ' I' ' 17' ' ' LEU . 1.0 OUTLIER -111.43 137.81 48.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 74.530000000000001 110.863 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . 0.588 ' HE1' HG22 ' I' ' 31' ' ' ILE . 21.0 m-85 61.26 28.64 18.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 64.120000000000005 110.923 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . 0.765 ' HB2' HG12 ' I' ' 18' ' ' VAL . . . -89.5 136.54 32.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 61.240000000000002 111.134 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 57.14 77.88 0.25 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 75.409999999999997 110.887 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.461 ' CG1' HG23 ' J' ' 24' ' ' VAL . 11.2 p -145.48 142.2 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 62.140000000000001 111.09 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.85 -44.62 95.87 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.752 -0.737 . . . . 72.349999999999994 112.481 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.42 148.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.38 . . . . 75.219999999999999 110.859 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -104.35 99.21 8.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 72.409999999999997 110.94 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -120.43 152.28 38.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 73.030000000000001 110.909 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . 0.401 ' HA3' ' HG2' ' C' ' 3' ' ' GLU . . . 69.45 -126.55 19.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 75.319999999999993 112.508 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.718 ' O ' HD12 ' H' ' 31' ' ' ILE . . . -103.61 112.72 25.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.778 0.323 . . . . 65.200000000000003 111.107 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.666 HG23 HD13 ' H' ' 31' ' ' ILE . 0.2 OUTLIER -134.51 124.11 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 73.209999999999994 111.125 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . 0.425 HD13 ' SD ' ' I' ' 35' ' ' MET . 6.8 mt -128.86 120.27 51.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 70.310000000000002 111.13 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.3 -61.92 5.86 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 63.5 112.449 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.927 HD22 ' O ' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -150.92 144.15 24.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.803 0.335 . . . . 72.420000000000002 110.922 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . 0.758 ' CE ' HG23 ' I' ' 39' ' ' VAL . 0.0 OUTLIER -128.35 123.38 33.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 72.129999999999995 110.869 179.829 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.945 HG21 HG11 ' D' ' 36' ' ' VAL . 11.9 t -122.7 109.73 24.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 72.230000000000004 111.118 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.44 -59.34 3.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 71.010000000000005 112.462 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.44 159.68 46.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 45.310000000000002 112.46 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 0.785 HG21 ' C ' ' H' ' 39' ' ' VAL . 8.1 p -165.56 153.17 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 71.040000000000006 111.156 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . 0.573 ' N ' HG21 ' J' ' 39' ' ' VAL . 9.0 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 73.450000000000003 111.171 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.843 0.354 . . . . 70.219999999999999 110.858 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.46 73.57 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 61.149999999999999 111.136 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -50.84 -30.74 15.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 65.519999999999996 110.879 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' J' J ' 4' ' ' PHE . . . . . 0.552 ' CE2' ' HB2' ' E' ' 30' ' ' ALA . 0.2 OUTLIER -159.15 114.67 2.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 72.510000000000005 110.915 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.45 107.8 9.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 71.439999999999998 110.88 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -108.9 119.72 40.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 75.450000000000003 110.859 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -128.72 100.03 5.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 71.450000000000003 110.87 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 16.4 t -148.23 172.2 14.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 70.129999999999995 110.861 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.44 -11.65 37.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 71.340000000000003 112.487 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.47 109.68 0.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.36 . . . . 65.209999999999994 110.917 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -104.65 124.91 50.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 73.099999999999994 110.876 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 22.0 t -133.07 116.54 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 71.299999999999997 111.115 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -120.32 118.59 30.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 71.230000000000004 110.869 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -122.19 136.11 54.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 75.340000000000003 110.838 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -132.35 135.34 46.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 65.109999999999999 110.9 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . 0.726 ' O ' HD22 ' J' ' 17' ' ' LEU . 4.5 tttp -122.56 120.14 32.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 61.130000000000003 110.941 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.726 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.3 mm? -133.13 99.74 4.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 73.120000000000005 110.908 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.717 HG12 ' HB2' ' J' ' 21' ' ' ALA . 0.2 OUTLIER -113.14 124.24 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 54.009999999999998 111.123 179.835 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' J' ' 19' ' ' PHE . 0.8 OUTLIER -114.34 136.43 52.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 65.0 110.863 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . 0.478 ' HE1' HG22 ' J' ' 31' ' ' ILE . 22.0 m-85 59.03 28.31 17.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 71.109999999999999 110.901 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . 0.717 ' HB2' HG12 ' J' ' 18' ' ' VAL . . . -91.56 139.05 31.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 71.439999999999998 111.099 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 54.82 78.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 52.030000000000001 110.842 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.461 HG23 ' CG1' ' I' ' 24' ' ' VAL . 11.2 p -145.63 139.82 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 75.219999999999999 111.069 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.32 -44.3 93.48 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.719 -0.753 . . . . 63.439999999999998 112.488 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.79 145.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.371 . . . . 73.140000000000001 110.845 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.33 98.77 8.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 75.219999999999999 110.889 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . 0.484 ' C ' HD11 ' J' ' 31' ' ' ILE . 1.1 tptp -121.34 153.08 38.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 73.319999999999993 110.907 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . 0.407 ' HA3' ' HG2' ' D' ' 3' ' ' GLU . . . 70.07 -127.57 18.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.76 -0.733 . . . . 71.150000000000006 112.514 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 0.601 ' O ' HD12 ' I' ' 31' ' ' ILE . . . -104.04 112.52 25.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.319 . . . . 51.200000000000003 111.069 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.484 HD11 ' C ' ' J' ' 28' ' ' LYS . 0.5 OUTLIER -135.82 125.45 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 75.420000000000002 111.084 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . 0.466 HD13 ' SD ' ' J' ' 35' ' ' MET . 7.9 mt -127.32 120.29 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 52.0 111.149 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.58 -60.04 8.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.751 . . . . 63.200000000000003 112.514 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.857 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -150.88 146.36 26.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.806 0.336 . . . . 74.129999999999995 110.924 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . 0.653 ' CE ' HG23 ' J' ' 39' ' ' VAL . 0.2 OUTLIER -136.74 122.79 20.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.140000000000001 110.892 179.802 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.894 HG21 HG11 ' E' ' 36' ' ' VAL . 18.8 t -126.69 108.65 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 71.409999999999997 111.145 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.79 -58.9 3.46 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 62.210000000000001 112.452 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.64 160.67 45.55 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 71.450000000000003 112.496 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.724 HG11 ' O ' ' I' ' 39' ' ' VAL . 11.2 p -166.71 153.36 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.873 0.368 . . . . 60.109999999999999 111.132 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 75.030000000000001 111.144 179.916 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.825 0.345 . . . . 64.150000000000006 110.891 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.18 89.38 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 62.119999999999997 111.101 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.55 -38.47 84.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 74.299999999999997 110.904 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.631 ' CE1' ' HB2' ' F' ' 30' ' ' ALA . 7.9 m-85 -142.17 112.37 7.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 71.430000000000007 110.904 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -135.73 107.63 7.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 72.129999999999995 110.867 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -107.39 119.71 40.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 73.549999999999997 110.866 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -116.46 100.96 8.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 71.310000000000002 110.885 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.8 m -154.07 177.34 11.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.409999999999997 110.836 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.96 -32.9 5.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 52.210000000000001 112.531 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -144.43 128.73 17.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 73.299999999999997 110.941 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -111.8 117.76 33.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 73.319999999999993 110.87 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.2 t -131.91 113.8 23.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 72.299999999999997 111.117 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -115.13 113.31 23.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 70.340000000000003 110.876 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -124.71 121.4 34.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 75.040000000000006 110.892 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . 0.699 ' OE1' HG23 ' F' ' 39' ' ' VAL . 0.0 OUTLIER -117.11 132.94 56.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 73.019999999999996 110.9 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.406 ' C ' HD22 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -132.11 116.12 16.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 75.219999999999999 110.91 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.636 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.4 mm? -123.05 109.02 13.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 73.420000000000002 110.907 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . 0.517 ' CG1' ' HB2' ' A' ' 21' ' ' ALA . 87.9 t -108.61 112.66 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 45.329999999999998 111.108 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.594 ' CE1' HD12 ' A' ' 17' ' ' LEU . 9.2 m-85 -111.0 106.44 15.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 72.409999999999997 110.9 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.412 ' CD1' ' HA2' ' A' ' 33' ' ' GLY . 8.7 m-85 62.01 80.26 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 74.409999999999997 110.9 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . 0.517 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . . . -112.43 135.36 53.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 71.209999999999994 111.138 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 54.62 73.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 75.439999999999998 110.866 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.55 HG13 HG23 ' B' ' 24' ' ' VAL . 4.1 p -112.26 144.41 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 74.540000000000006 111.146 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.67 -49.06 45.89 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.704 -0.76 . . . . 53.240000000000002 112.468 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -160.98 133.07 5.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.373 . . . . 74.209999999999994 110.83 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -102.82 101.51 11.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 71.510000000000005 110.877 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -113.91 166.7 11.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 55.130000000000003 110.932 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.11 -130.62 47.52 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.695 -0.764 . . . . 53.240000000000002 112.504 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.67 ' HB2' ' CE1' ' F' ' 4' ' ' PHE . . . -109.91 111.66 23.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.342 . . . . 74.129999999999995 111.09 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.75 HG13 HG22 ' B' ' 31' ' ' ILE . 0.0 OUTLIER -122.29 115.18 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 71.150000000000006 111.146 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -130.99 122.61 52.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 75.140000000000001 111.118 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . 0.412 ' HA2' ' CD1' ' A' ' 20' ' ' PHE . . . -52.41 -49.99 49.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 53.340000000000003 112.514 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.816 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -165.42 148.86 8.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 75.140000000000001 110.913 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . 0.423 ' HG3' ' HB3' ' B' ' 35' ' ' MET . 3.8 ttp -132.2 123.85 27.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.239999999999995 110.903 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.796 HG21 HG11 ' F' ' 36' ' ' VAL . 91.3 t -143.71 110.93 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 61.119999999999997 111.13 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.54 -10.94 67.6 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 32.240000000000002 112.47 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.59 159.94 13.48 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 73.349999999999994 112.434 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.692 HG23 ' OE1' ' F' ' 15' ' ' GLN . 92.2 t -131.81 142.45 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.859 0.362 . . . . 72.549999999999997 111.102 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.447 ' C ' HG22 ' B' ' 40' ' ' VAL . 23.2 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 74.109999999999999 111.123 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.857 0.361 . . . . 72.420000000000002 110.883 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.63 89.37 2.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 75.400000000000006 111.089 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.15 -37.74 81.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 73.010000000000005 110.92 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.595 ' CE1' ' HB2' ' G' ' 30' ' ' ALA . 9.7 m-85 -143.35 111.11 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 74.349999999999994 110.831 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -131.57 107.7 9.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 73.099999999999994 110.873 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -110.6 118.35 35.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 71.329999999999998 110.85 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -115.65 101.33 8.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 73.109999999999999 110.9 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' C' ' 8' ' ' SER . 25.4 m -152.26 176.82 11.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 72.420000000000002 110.858 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.49 -32.91 5.83 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.791 -0.719 . . . . 75.129999999999995 112.49 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -144.56 128.14 17.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.815 0.34 . . . . 71.450000000000003 110.922 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -109.05 117.45 34.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 62.409999999999997 110.918 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.4 t -128.91 113.78 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 52.43 111.1 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -116.72 113.07 22.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 63.009999999999998 110.851 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -123.83 123.48 40.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 74.329999999999998 110.847 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . 0.455 ' HG3' HG21 ' H' ' 39' ' ' VAL . 0.0 OUTLIER -117.57 132.55 56.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 73.349999999999994 110.907 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . 0.438 ' C ' HD22 ' B' ' 17' ' ' LEU . 1.0 OUTLIER -127.94 116.32 19.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 74.019999999999996 110.886 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.731 ' HB2' HD13 ' C' ' 17' ' ' LEU . 4.4 mm? -124.32 105.08 9.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 35.420000000000002 110.876 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' B' ' 21' ' ' ALA . 94.4 t -107.8 112.06 38.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 72.120000000000005 111.11 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.639 ' CE1' HD12 ' B' ' 17' ' ' LEU . 6.7 m-85 -111.3 104.0 12.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 73.420000000000002 110.851 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 61.44 79.89 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 73.549999999999997 110.862 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . 0.466 ' HB2' ' CG1' ' B' ' 18' ' ' VAL . . . -109.5 133.39 53.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 64.310000000000002 111.104 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 56.35 73.68 0.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 74.040000000000006 110.887 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.597 HG13 HG23 ' C' ' 24' ' ' VAL . 2.8 p -111.42 143.78 20.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 71.450000000000003 111.1 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.03 -47.13 39.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 45.219999999999999 112.48 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -160.97 131.74 5.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 74.420000000000002 110.877 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . 0.56 HD22 HG21 ' B' ' 31' ' ' ILE . 20.3 m120 -102.22 100.38 10.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 65.299999999999997 110.91 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -114.1 169.53 8.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 70.200000000000003 110.867 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.87 -129.05 38.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 74.450000000000003 112.479 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.613 ' HB2' ' CE1' ' G' ' 4' ' ' PHE . . . -109.16 112.29 24.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.766 0.317 . . . . 63.219999999999999 111.097 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.859 HG13 HG22 ' C' ' 31' ' ' ILE . 0.0 OUTLIER -118.76 113.83 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 64.129999999999995 111.134 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -130.63 122.07 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 64.319999999999993 111.108 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.98 -46.38 93.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 60.240000000000002 112.507 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.89 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -163.98 147.36 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 64.109999999999999 110.874 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.423 ' HB3' ' HG3' ' A' ' 35' ' ' MET . 3.6 ttp -132.75 123.08 25.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 73.340000000000003 110.868 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.761 HG21 HG11 ' G' ' 36' ' ' VAL . 89.8 t -147.74 110.44 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 74.439999999999998 111.138 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.05 -8.78 71.97 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.764 -0.731 . . . . 61.509999999999998 112.487 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.12 158.35 14.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 75.230000000000004 112.479 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.59 ' O ' HG13 ' C' ' 39' ' ' VAL . 78.0 t -133.87 139.09 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.368 . . . . 64.310000000000002 111.139 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.457 ' C ' HG22 ' C' ' 40' ' ' VAL . 22.8 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 74.439999999999998 111.084 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.802 0.334 . . . . 72.230000000000004 110.869 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.74 89.06 2.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 73.120000000000005 111.139 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.8 -38.03 80.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 75.209999999999994 110.843 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' H' ' 30' ' ' ALA . 11.4 m-85 -143.3 110.55 5.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 71.25 110.889 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -128.21 107.74 10.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 70.239999999999995 110.929 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -112.21 117.45 32.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 64.209999999999994 110.888 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -115.07 101.75 9.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 70.209999999999994 110.856 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' B' ' 8' ' ' SER . 24.2 m -153.15 176.04 12.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 71.219999999999999 110.894 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.19 -32.41 5.83 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 31.420000000000002 112.478 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -144.91 127.77 16.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.894 0.378 . . . . 74.530000000000001 110.921 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -107.12 118.23 36.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.09 -0.505 . . . . 74.420000000000002 110.884 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 43.0 t -127.5 113.35 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 73.109999999999999 111.099 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -117.67 113.26 21.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 75.349999999999994 110.875 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -124.75 123.73 40.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 71.420000000000002 110.888 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . 0.496 ' OE1' HG23 ' H' ' 39' ' ' VAL . 0.0 OUTLIER -118.95 131.89 56.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 74.340000000000003 110.952 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.489 ' C ' HD22 ' C' ' 17' ' ' LEU . 1.0 OUTLIER -124.67 116.44 22.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 73.340000000000003 110.883 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.731 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.5 mm? -125.32 103.14 7.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.284 -0.416 . . . . 74.129999999999995 110.935 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . 0.45 ' CG1' ' HB2' ' C' ' 21' ' ' ALA . 97.4 t -107.47 112.37 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 55.509999999999998 111.16 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.555 ' CE1' HD12 ' C' ' 17' ' ' LEU . 5.3 m-30 -108.78 101.12 10.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 73.109999999999999 110.909 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.407 ' CD1' ' HA2' ' C' ' 33' ' ' GLY . 9.4 m-85 60.01 82.69 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 63.229999999999997 110.892 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . 0.45 ' HB2' ' CG1' ' C' ' 18' ' ' VAL . . . -110.19 133.81 52.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 73.120000000000005 111.119 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 56.88 74.02 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 75.239999999999995 110.9 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.597 HG23 HG13 ' B' ' 24' ' ' VAL . 3.0 p -111.34 144.12 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 75.120000000000005 111.14 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.3 -46.62 40.85 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.747 . . . . 64.349999999999994 112.462 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -160.89 131.36 5.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.912 0.387 . . . . 75.010000000000005 110.878 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.599 HD22 HG21 ' C' ' 31' ' ' ILE . 18.9 m120 -102.25 100.12 10.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 75.409999999999997 110.906 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -114.75 170.2 8.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 73.019999999999996 110.925 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.09 -129.35 39.36 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.702 -0.761 . . . . 74.400000000000006 112.53 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.614 ' HB2' ' CE1' ' H' ' 4' ' ' PHE . . . -107.4 111.9 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 71.239999999999995 111.072 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.88 HG13 HG22 ' D' ' 31' ' ' ILE . 0.0 OUTLIER -116.67 111.49 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 73.340000000000003 111.119 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -128.87 122.01 55.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 62.329999999999998 111.139 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . 0.407 ' HA2' ' CD1' ' C' ' 20' ' ' PHE . . . -61.54 -46.7 93.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 73.120000000000005 112.456 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.924 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -161.46 146.11 13.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.833 0.349 . . . . 72.329999999999998 110.92 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 4.0 ttp -131.66 122.0 25.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 73.409999999999997 110.838 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.645 HG13 ' O ' ' B' ' 36' ' ' VAL . 84.8 t -150.17 109.88 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 54.130000000000003 111.149 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.17 -8.12 72.23 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.703 -0.76 . . . . 65.140000000000001 112.477 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.49 156.67 15.44 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 63.310000000000002 112.491 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.602 ' O ' HG13 ' D' ' 39' ' ' VAL . 78.9 t -134.17 138.29 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.359 . . . . 74.319999999999993 111.116 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.457 HG22 ' C ' ' B' ' 40' ' ' VAL . 24.1 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 64.439999999999998 111.15 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.852 0.358 . . . . 65.150000000000006 110.862 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.12 89.14 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 54.119999999999997 111.13 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.91 -38.61 82.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 74.299999999999997 110.909 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 4' ' ' PHE . . . . . 0.604 ' CZ ' ' HB2' ' I' ' 30' ' ' ALA . 11.5 m-85 -143.31 110.74 5.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 71.400000000000006 110.908 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -125.96 108.41 11.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 63.130000000000003 110.851 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -114.21 116.85 29.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 72.230000000000004 110.889 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -114.14 102.32 10.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 63.119999999999997 110.847 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' C' ' 8' ' ' SER . 25.8 m -155.02 175.07 14.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.099999999999994 110.87 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.86 -31.71 5.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 60.43 112.467 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -145.23 128.6 16.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.896 0.379 . . . . 74.310000000000002 110.936 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -106.52 119.77 40.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.499 . . . . 73.230000000000004 110.86 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 43.3 t -126.86 112.62 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 72.109999999999999 111.133 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -117.96 113.41 21.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 70.340000000000003 110.838 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -123.97 123.09 39.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 72.310000000000002 110.882 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . 0.493 ' OE1' HG23 ' I' ' 39' ' ' VAL . 0.0 OUTLIER -118.7 132.19 56.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 72.349999999999994 110.946 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . 0.57 ' O ' HD22 ' D' ' 17' ' ' LEU . 0.9 OUTLIER -123.81 117.07 24.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 42.130000000000003 110.903 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.721 HD13 ' HB2' ' C' ' 17' ' ' LEU . 4.5 mm? -128.85 101.31 6.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 75.109999999999999 110.922 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . 0.49 ' CG1' ' HB2' ' D' ' 21' ' ' ALA . 89.2 t -105.92 113.99 44.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 75.129999999999995 111.109 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.518 ' HE1' HD12 ' D' ' 17' ' ' LEU . 4.7 m-30 -107.54 99.44 8.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 75.510000000000005 110.887 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.406 ' CD1' ' HA2' ' D' ' 33' ' ' GLY . 7.9 m-85 59.81 83.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 71.25 110.918 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . 0.49 ' HB2' ' CG1' ' D' ' 18' ' ' VAL . . . -110.64 134.59 52.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 73.109999999999999 111.118 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 56.9 74.19 0.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 74.120000000000005 110.911 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.538 HG23 HG13 ' C' ' 24' ' ' VAL . 2.8 p -112.28 143.51 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 74.019999999999996 111.103 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.9 -46.15 38.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.805 -0.712 . . . . 71.25 112.454 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -160.6 131.82 5.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.861 0.362 . . . . 74.230000000000004 110.854 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . 0.642 HD22 HG21 ' D' ' 31' ' ' ILE . 19.0 m120 -102.5 99.61 9.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 71.140000000000001 110.86 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -114.7 170.96 7.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 74.319999999999993 110.884 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.86 -129.13 38.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.775 -0.726 . . . . 64.200000000000003 112.465 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.628 ' HB2' ' CE1' ' I' ' 4' ' ' PHE . . . -106.73 111.87 24.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.714 0.292 . . . . 70.120000000000005 111.109 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.88 HG22 HG13 ' C' ' 31' ' ' ILE . 0.0 OUTLIER -114.65 110.44 32.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 72.299999999999997 111.138 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -127.92 121.18 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 74.439999999999998 111.095 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . 0.406 ' HA2' ' CD1' ' D' ' 20' ' ' PHE . . . -63.0 -45.79 94.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 54.539999999999999 112.47 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.926 HD22 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -160.49 145.44 14.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.766 0.317 . . . . 74.519999999999996 110.932 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 4.9 ttp -132.11 120.94 22.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 63.409999999999997 110.898 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.637 HG13 ' O ' ' C' ' 36' ' ' VAL . 92.8 t -150.98 109.15 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 65.230000000000004 111.133 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.92 -6.97 72.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 70.049999999999997 112.51 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.79 155.29 16.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.702 -0.761 . . . . 45.340000000000003 112.511 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.602 HG13 ' O ' ' C' ' 39' ' ' VAL . 77.1 t -135.31 138.03 49.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.904 0.383 . . . . 72.329999999999998 111.103 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 71.010000000000005 111.122 179.897 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.86 0.362 . . . . 72.319999999999993 110.847 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.28 88.76 2.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 55.310000000000002 111.119 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 3' ' ' GLU . . . . . 0.409 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . 1.7 mp0 -60.41 -35.71 76.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 63.5 110.868 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 4' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' J' ' 30' ' ' ALA . 13.6 m-85 -144.75 112.74 6.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 73.209999999999994 110.852 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -126.28 105.35 8.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 73.129999999999995 110.895 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -114.86 115.29 26.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 75.140000000000001 110.838 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -111.37 100.89 9.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 71.439999999999998 110.915 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 25.7 m -154.9 170.72 21.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 53.119999999999997 110.833 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.5 -29.99 7.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 75.109999999999999 112.437 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -146.66 128.72 15.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.362 . . . . 71.150000000000006 110.924 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -106.8 119.99 40.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 72.120000000000005 110.893 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 43.5 t -124.71 113.61 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 63.340000000000003 111.097 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -118.61 112.67 20.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 64.5 110.887 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -123.01 124.39 43.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 75.430000000000007 110.875 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . 0.585 ' OE1' HG23 ' J' ' 39' ' ' VAL . 0.0 OUTLIER -120.6 134.43 55.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 72.420000000000002 110.95 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . 0.564 ' O ' HD22 ' E' ' 17' ' ' LEU . 0.8 OUTLIER -123.44 116.14 22.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 72.030000000000001 110.91 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.629 HD13 ' HB2' ' D' ' 17' ' ' LEU . 4.3 mm? -129.27 103.76 7.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 75.030000000000001 110.946 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' E' ' 21' ' ' ALA . 92.3 t -105.92 115.06 46.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 61.119999999999997 111.096 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.582 ' HE1' HD12 ' E' ' 17' ' ' LEU . 4.8 m-30 -107.79 96.11 6.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 74.209999999999994 110.849 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.404 ' CD1' ' HA2' ' E' ' 33' ' ' GLY . 7.1 m-85 60.39 82.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 63.409999999999997 110.882 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . 0.481 ' HB2' ' CG1' ' E' ' 18' ' ' VAL . . . -107.79 134.77 50.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 24.539999999999999 111.132 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 54.73 74.69 0.34 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 74.319999999999993 110.897 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 3.3 p -110.32 142.97 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 63.520000000000003 111.099 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.94 -45.28 27.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 71.040000000000006 112.501 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.2 m -161.03 132.37 5.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.905 0.384 . . . . 73.129999999999995 110.808 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . 0.578 HD22 HG21 ' E' ' 31' ' ' ILE . 23.7 m120 -101.72 99.29 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 64.219999999999999 110.919 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -114.85 170.21 8.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 73.230000000000004 110.927 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.91 -130.82 40.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.764 -0.731 . . . . 71.329999999999998 112.458 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.601 ' HB2' ' CZ ' ' J' ' 4' ' ' PHE . . . -104.12 113.49 27.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.739 0.304 . . . . 75.299999999999997 111.053 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.749 HG22 HG13 ' D' ' 31' ' ' ILE . 0.0 OUTLIER -111.58 111.99 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 63.340000000000003 111.116 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -130.04 113.69 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 74.549999999999997 111.112 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . 0.404 ' HA2' ' CD1' ' E' ' 20' ' ' PHE . . . -61.04 -40.23 98.22 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.74 -0.743 . . . . 55.530000000000001 112.509 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.841 HD22 ' O ' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -163.01 145.44 10.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.796 0.331 . . . . 64.140000000000001 110.923 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.8 ttp -134.51 120.88 20.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 73.019999999999996 110.906 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.618 HG13 ' O ' ' D' ' 36' ' ' VAL . 96.6 t -151.46 108.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 62.530000000000001 111.12 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.76 -4.01 66.99 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 50.299999999999997 112.466 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.26 155.16 16.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 75.049999999999997 112.528 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.618 HG23 ' OE1' ' J' ' 15' ' ' GLN . 69.7 t -135.42 139.41 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 64.209999999999994 111.117 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 50.310000000000002 111.123 179.919 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 . . . . . 0 CA--C 1.526 0.051 0 CA-C-O 120.857 0.361 . . . . 75.129999999999995 110.837 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.33 88.46 2.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 74.219999999999999 111.119 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.21 -39.09 85.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 51.210000000000001 110.844 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 4' ' ' PHE . . . . . 0.67 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 4.9 m-85 -142.9 112.89 7.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 74.030000000000001 110.844 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -135.52 108.29 7.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 71.349999999999994 110.867 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -108.32 118.45 36.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 54.310000000000002 110.869 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -115.17 101.41 8.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 75.519999999999996 110.857 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 27.9 m -154.02 176.81 11.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 72.019999999999996 110.833 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.89 -32.84 6.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.703 -0.761 . . . . 73.099999999999994 112.477 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -144.69 129.03 17.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 72.299999999999997 110.957 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -111.19 117.85 34.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 74.120000000000005 110.896 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -131.55 114.02 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 72.140000000000001 111.166 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -114.9 113.48 24.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 74.340000000000003 110.855 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -125.39 120.59 31.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 64.310000000000002 110.826 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . 0.692 ' OE1' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -117.25 132.66 56.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 75.239999999999995 110.871 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . 0.418 ' C ' HD22 ' F' ' 17' ' ' LEU . 0.9 OUTLIER -132.54 115.82 15.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 74.230000000000004 110.885 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.661 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.3 mm? -123.2 109.1 13.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 61.039999999999999 110.925 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . 0.524 ' CG1' ' HB2' ' F' ' 21' ' ' ALA . 86.1 t -108.55 112.99 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 64.239999999999995 111.092 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.526 ' CE1' HD12 ' F' ' 17' ' ' LEU . 9.4 m-85 -111.02 106.43 15.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 75.319999999999993 110.865 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . 0.408 ' CD1' ' HA2' ' F' ' 33' ' ' GLY . 8.3 m-85 62.08 80.3 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 74.430000000000007 110.892 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . 0.524 ' HB2' ' CG1' ' F' ' 18' ' ' VAL . . . -112.59 135.49 53.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 62.329999999999998 111.053 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 54.84 73.28 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 71.219999999999999 110.841 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.562 HG13 HG23 ' G' ' 24' ' ' VAL . 4.2 p -112.75 144.48 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 72.349999999999994 111.102 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.83 -49.04 44.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 54.340000000000003 112.505 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.0 m -160.92 133.01 5.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.357 . . . . 63.420000000000002 110.905 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -102.9 100.74 10.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 71.219999999999999 110.865 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -114.28 167.7 10.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 73.25 110.864 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.23 -130.69 47.86 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.681 -0.771 . . . . 42.539999999999999 112.539 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.631 ' HB2' ' CE1' ' A' ' 4' ' ' PHE . . . -109.45 111.56 23.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.774 0.321 . . . . 64.200000000000003 111.098 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.801 HG13 HG22 ' G' ' 31' ' ' ILE . 0.0 OUTLIER -123.05 115.15 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 71.450000000000003 111.173 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mt -131.58 121.85 48.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 64.140000000000001 111.127 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . 0.408 ' HA2' ' CD1' ' F' ' 20' ' ' PHE . . . -51.38 -50.32 41.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 51.420000000000002 112.498 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.813 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -165.77 148.91 7.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.848 0.356 . . . . 74.030000000000001 110.873 -179.891 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . 0.403 ' HG3' ' HB3' ' G' ' 35' ' ' MET . 3.5 ttp -132.18 124.5 29.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 65.310000000000002 110.877 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.796 HG11 HG21 ' A' ' 36' ' ' VAL . 84.6 t -144.51 111.04 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 72.319999999999993 111.108 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.97 -10.37 68.55 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.722 -0.751 . . . . 54.210000000000001 112.527 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -112.04 158.06 14.55 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.708 -0.758 . . . . 50.350000000000001 112.453 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.699 HG23 ' OE1' ' A' ' 15' ' ' GLN . 92.9 t -133.89 143.14 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 71.439999999999998 111.108 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.536 ' HA ' HG22 ' G' ' 40' ' ' VAL . 24.7 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 75.340000000000003 111.154 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.855 0.36 . . . . 64.040000000000006 110.91 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.11 88.65 2.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 72.030000000000001 111.098 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.72 -39.84 86.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 51.100000000000001 110.906 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 4' ' ' PHE . . . . . 0.613 ' CE1' ' HB2' ' B' ' 30' ' ' ALA . 7.3 m-85 -145.26 112.06 5.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 73.109999999999999 110.876 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -131.55 108.26 9.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 74.129999999999995 110.886 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -110.24 117.87 34.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 72.329999999999998 110.848 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -115.12 101.69 9.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 75.450000000000003 110.861 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 26.2 m -152.64 176.22 11.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 71.310000000000002 110.864 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.88 -33.39 5.82 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 63.200000000000003 112.507 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -144.58 128.53 17.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.372 . . . . 74.299999999999997 110.878 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -108.26 117.53 34.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 74.129999999999995 110.875 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 43.9 t -128.21 113.85 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 75.109999999999999 111.105 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -116.8 113.67 22.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 65.150000000000006 110.852 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -125.62 122.44 36.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 65.030000000000001 110.85 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . 0.425 ' OE1' HG23 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -117.27 132.51 56.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 61.25 110.928 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . 0.434 ' C ' HD22 ' G' ' 17' ' ' LEU . 1.0 OUTLIER -127.94 116.42 20.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 74.150000000000006 110.885 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.74 ' HB2' HD13 ' H' ' 17' ' ' LEU . 4.4 mm? -124.53 104.75 8.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 72.239999999999995 110.9 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' G' ' 21' ' ' ALA . 93.5 t -107.33 112.02 38.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 63.340000000000003 111.128 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.644 ' CE1' HD12 ' G' ' 17' ' ' LEU . 7.1 m-85 -110.98 103.12 11.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 62.210000000000001 110.86 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 61.74 80.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 75.420000000000002 110.878 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . 0.464 ' HB2' ' CG1' ' G' ' 18' ' ' VAL . . . -109.99 133.78 52.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 72.239999999999995 111.137 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 56.28 73.79 0.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 64.150000000000006 110.853 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.586 HG13 HG23 ' H' ' 24' ' ' VAL . 2.8 p -111.73 144.1 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 42.420000000000002 111.108 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.35 -47.32 36.51 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 75.109999999999999 112.473 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -160.64 131.56 5.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.914 0.388 . . . . 71.239999999999995 110.827 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . 0.538 HD22 HG21 ' G' ' 31' ' ' ILE . 20.6 m120 -102.12 99.9 10.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 75.450000000000003 110.934 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -114.16 170.87 7.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 73.340000000000003 110.917 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.45 -128.22 35.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.744 . . . . 63.399999999999999 112.518 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.624 ' HB3' ' CE1' ' A' ' 4' ' ' PHE . . . -110.3 112.63 24.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.738 0.304 . . . . 52.509999999999998 111.062 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.87 HG13 HG22 ' H' ' 31' ' ' ILE . 0.0 OUTLIER -119.02 113.54 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 72.25 111.115 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -130.42 121.08 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 63.200000000000003 111.124 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.27 -46.82 92.39 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 73.299999999999997 112.454 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.898 HD22 ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -163.92 147.1 9.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.343 . . . . 72.310000000000002 110.935 -179.889 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.403 ' HB3' ' HG3' ' F' ' 35' ' ' MET . 3.7 ttp -132.54 122.75 25.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 62.240000000000002 110.867 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.761 HG11 HG21 ' B' ' 36' ' ' VAL . 97.3 t -147.65 110.4 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 74.430000000000007 111.072 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.93 -8.7 71.9 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.746 -0.74 . . . . 55.409999999999997 112.466 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.18 156.9 15.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 35.43 112.506 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.632 HG13 ' O ' ' F' ' 39' ' ' VAL . 63.5 t -134.78 139.58 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.886 0.374 . . . . 71.549999999999997 111.102 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.536 HG22 ' HA ' ' F' ' 40' ' ' VAL . 27.2 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 75.349999999999994 111.115 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.839 0.352 . . . . 61.310000000000002 110.844 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.02 89.18 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 71.340000000000003 111.136 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.11 -39.65 82.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 71.239999999999995 110.911 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 4' ' ' PHE . . . . . 0.614 ' CE1' ' HB2' ' C' ' 30' ' ' ALA . 8.5 m-85 -144.5 112.02 6.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 74.049999999999997 110.863 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -128.99 108.08 10.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.150000000000006 110.868 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -111.3 116.28 30.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 72.049999999999997 110.86 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -113.6 101.92 9.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 73.420000000000002 110.854 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 24.5 m -153.58 175.79 12.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 71.519999999999996 110.871 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.14 -32.47 5.82 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.732 -0.747 . . . . 72.209999999999994 112.466 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -144.85 128.55 17.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.833 0.349 . . . . 74.200000000000003 110.918 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -107.18 118.22 36.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 71.219999999999999 110.865 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 43.4 t -126.53 113.35 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 73.219999999999999 111.16 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -117.81 113.36 21.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 75.409999999999997 110.869 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -125.75 123.03 37.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 64.209999999999994 110.869 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . 0.518 ' OE1' HG23 ' C' ' 39' ' ' VAL . 0.0 OUTLIER -118.79 131.89 56.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 71.5 110.92 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . 0.475 ' C ' HD22 ' H' ' 17' ' ' LEU . 1.0 OUTLIER -124.87 116.29 22.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 71.439999999999998 110.921 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.74 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.5 mm? -125.6 102.95 7.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 43.119999999999997 110.902 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . 0.46 ' CG1' ' HB2' ' H' ' 21' ' ' ALA . 96.0 t -107.08 112.97 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 73.310000000000002 111.155 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.548 ' CE1' HD12 ' H' ' 17' ' ' LEU . 5.6 m-30 -109.24 100.98 10.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 65.230000000000004 110.866 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 60.21 82.42 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 74.439999999999998 110.883 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . 0.46 ' HB2' ' CG1' ' H' ' 18' ' ' VAL . . . -109.93 134.03 52.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 62.100000000000001 111.112 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 56.86 73.81 0.44 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.232 -0.44 . . . . 74.409999999999997 110.842 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.586 HG23 HG13 ' G' ' 24' ' ' VAL . 3.1 p -111.26 144.15 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 72.329999999999998 111.129 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.76 -47.22 34.15 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.784 -0.722 . . . . 71.310000000000002 112.506 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -159.85 131.5 6.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 64.109999999999999 110.86 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . 0.615 HD22 HG21 ' H' ' 31' ' ' ILE . 18.8 m120 -102.43 99.97 10.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 72.219999999999999 110.925 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -114.74 171.66 7.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 73.450000000000003 110.891 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.94 -129.09 34.69 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.712 -0.756 . . . . 52.5 112.525 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . 0.58 ' HB2' ' CZ ' ' C' ' 4' ' ' PHE . . . -108.16 111.81 24.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.779 0.323 . . . . 74.530000000000001 111.091 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.885 HG13 HG22 ' I' ' 31' ' ' ILE . 0.0 OUTLIER -116.18 111.29 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 75.129999999999995 111.101 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -128.71 121.22 54.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 71.120000000000005 111.156 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.99 -46.83 93.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.747 -0.74 . . . . 55.020000000000003 112.493 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.919 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -161.27 146.07 13.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 64.219999999999999 110.941 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 4.1 ttp -131.7 121.83 24.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 62.450000000000003 110.83 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.644 HG21 HG11 ' C' ' 36' ' ' VAL . 85.3 t -150.22 109.66 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 55.420000000000002 111.172 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.25 -8.32 71.54 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.773 -0.727 . . . . 73.349999999999994 112.484 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.36 156.28 15.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 73.349999999999994 112.457 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.628 HG13 ' O ' ' G' ' 39' ' ' VAL . 64.5 t -135.85 138.39 47.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.901 0.382 . . . . 73.120000000000005 111.136 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . 0.505 HG22 ' HA ' ' G' ' 40' ' ' VAL . 30.3 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 75.109999999999999 111.139 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.818 0.342 . . . . 64.319999999999993 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.84 89.2 2.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 74.409999999999997 111.081 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.07 -39.51 82.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 71.239999999999995 110.93 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 4' ' ' PHE . . . . . 0.628 ' CE1' ' HB2' ' D' ' 30' ' ' ALA . 8.3 m-85 -144.04 112.29 6.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 72.049999999999997 110.906 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -126.88 108.48 11.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 73.099999999999994 110.849 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -113.29 116.31 29.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 74.299999999999997 110.885 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -113.49 102.16 10.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 71.430000000000007 110.823 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 24.9 m -155.08 174.52 15.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 74.310000000000002 110.817 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.41 -31.9 5.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 50.520000000000003 112.477 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -145.06 129.19 17.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 73.040000000000006 110.946 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -105.88 119.43 39.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.513 . . . . 73.040000000000006 110.877 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 43.8 t -125.52 112.57 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 75.5 111.118 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -118.48 114.06 22.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 60.420000000000002 110.829 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -125.91 122.25 35.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 72.340000000000003 110.82 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . 0.521 ' OE1' HG23 ' D' ' 39' ' ' VAL . 0.0 OUTLIER -118.46 132.12 56.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 72.319999999999993 110.921 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . 0.566 ' O ' HD22 ' I' ' 17' ' ' LEU . 1.0 OUTLIER -123.82 116.76 23.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 61.439999999999998 110.893 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.728 HD13 ' HB2' ' H' ' 17' ' ' LEU . 4.5 mm? -128.66 101.5 6.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 74.230000000000004 110.922 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' I' ' 21' ' ' ALA . 88.7 t -105.87 113.99 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 75.230000000000004 111.107 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . 0.533 ' HE1' HD12 ' I' ' 17' ' ' LEU . 4.9 m-30 -107.73 98.62 8.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 72.329999999999998 110.881 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . 0.411 ' CD1' ' HA2' ' I' ' 33' ' ' GLY . 7.8 m-85 60.19 84.01 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 62.549999999999997 110.88 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . 0.479 ' HB2' ' CG1' ' I' ' 18' ' ' VAL . . . -110.97 134.72 52.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 53.450000000000003 111.086 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 56.8 74.02 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 52.420000000000002 110.874 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.553 HG23 HG13 ' H' ' 24' ' ' VAL . 2.8 p -111.71 143.55 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.519999999999996 111.131 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.84 -46.5 37.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 63.100000000000001 112.468 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -160.11 131.25 5.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 53.450000000000003 110.843 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . 0.657 HD22 HG21 ' I' ' 31' ' ' ILE . 19.1 m120 -101.74 99.56 9.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 73.439999999999998 110.92 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -114.85 171.97 7.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 62.310000000000002 110.895 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.92 -129.06 34.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.773 -0.727 . . . . 75.230000000000004 112.52 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.604 ' HB2' ' CZ ' ' D' ' 4' ' ' PHE . . . -107.26 111.67 24.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.703 0.287 . . . . 73.040000000000006 111.11 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.885 HG22 HG13 ' H' ' 31' ' ' ILE . 0.0 OUTLIER -114.15 110.58 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.140000000000001 111.088 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -127.81 120.3 53.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 73.519999999999996 111.165 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . 0.411 ' HA2' ' CD1' ' I' ' 20' ' ' PHE . . . -62.18 -45.79 95.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 35.420000000000002 112.513 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.932 HD22 ' O ' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -160.87 145.44 13.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.807 0.336 . . . . 62.229999999999997 110.906 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 4.2 ttp -132.02 120.78 22.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 63.229999999999997 110.905 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.64 ' O ' HG13 ' J' ' 36' ' ' VAL . 89.7 t -150.74 109.06 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 50.43 111.107 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.85 -6.97 72.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 62.509999999999998 112.454 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.0 155.07 16.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 54.100000000000001 112.507 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 0.62 HG13 ' O ' ' H' ' 39' ' ' VAL . 69.1 t -136.12 137.36 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.34 . . . . 71.200000000000003 111.158 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . 0.458 HG22 ' HA ' ' H' ' 40' ' ' VAL . 30.4 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 74.230000000000004 111.171 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.889 0.376 . . . . 74.030000000000001 110.833 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.27 88.87 2.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 63.32 111.073 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.2 -38.82 80.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 73.239999999999995 110.845 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' J' J ' 4' ' ' PHE . . . . . 0.601 ' CZ ' ' HB2' ' E' ' 30' ' ' ALA . 6.2 m-85 -144.47 114.02 7.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 62.240000000000002 110.86 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -126.27 106.31 9.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 73.340000000000003 110.875 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -114.66 114.64 25.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 73.319999999999993 110.885 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -110.69 101.21 9.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 73.549999999999997 110.918 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 27.0 m -155.32 170.25 22.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 73.239999999999995 110.896 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.44 -30.46 7.29 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.771 -0.728 . . . . 71.219999999999999 112.481 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -146.18 127.91 15.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.823 0.344 . . . . 73.340000000000003 110.966 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -105.5 119.89 40.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 73.519999999999996 110.902 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 44.4 t -123.67 113.41 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 61.210000000000001 111.138 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -118.83 113.0 20.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 62.020000000000003 110.826 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -124.74 123.45 40.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 74.019999999999996 110.863 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . 0.618 ' OE1' HG23 ' E' ' 39' ' ' VAL . 0.0 OUTLIER -120.22 135.06 55.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 73.450000000000003 110.926 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . 0.56 ' O ' HD22 ' J' ' 17' ' ' LEU . 0.9 OUTLIER -123.63 116.11 22.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.450000000000003 110.899 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.618 HD13 ' HB2' ' I' ' 17' ' ' LEU . 4.3 mm? -129.03 102.67 6.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 74.040000000000006 110.949 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' J' ' 21' ' ' ALA . 93.1 t -105.25 115.38 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 63.329999999999998 111.116 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.561 ' HE1' HD12 ' J' ' 17' ' ' LEU . 4.8 m-30 -107.84 95.9 6.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 74.519999999999996 110.912 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . 0.414 ' CD1' ' HA2' ' J' ' 33' ' ' GLY . 7.0 m-85 60.66 82.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 75.040000000000006 110.872 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . 0.481 ' HB2' ' CG1' ' J' ' 18' ' ' VAL . . . -108.02 135.49 49.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 54.240000000000002 111.12 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 54.35 74.75 0.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 74.109999999999999 110.86 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.41 HG23 HG13 ' I' ' 24' ' ' VAL . 3.1 p -110.41 142.75 21.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 73.409999999999997 111.097 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.27 -45.61 30.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 74.420000000000002 112.5 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 4.2 m -161.0 131.52 5.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 63.149999999999999 110.844 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . 0.581 HD22 HG21 ' J' ' 31' ' ' ILE . 22.7 m120 -100.59 98.82 9.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 74.319999999999993 110.898 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -114.78 171.28 7.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 73.420000000000002 110.89 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' E' ' 3' ' ' GLU . . . 52.42 -131.9 38.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 53.43 112.459 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 0.563 ' HB2' ' CZ ' ' E' ' 4' ' ' PHE . . . -103.64 113.15 26.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.761 0.315 . . . . 60.109999999999999 111.149 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.756 HG22 HG13 ' I' ' 31' ' ' ILE . 0.0 OUTLIER -111.3 113.36 44.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 74.549999999999997 111.125 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -130.13 113.67 26.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 62.020000000000003 111.136 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . 0.414 ' HA2' ' CD1' ' J' ' 20' ' ' PHE . . . -60.78 -41.06 98.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 65.230000000000004 112.462 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.812 HD22 ' O ' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -163.73 144.22 8.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.835 0.35 . . . . 74.239999999999995 110.912 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 4.0 ttp -133.04 120.72 21.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 73.319999999999993 110.87 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.64 HG13 ' O ' ' I' ' 36' ' ' VAL . 95.9 t -151.48 108.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 75.319999999999993 111.158 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.9 -3.85 68.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 51.130000000000003 112.507 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.76 155.0 16.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 73.109999999999999 112.487 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.585 HG23 ' OE1' ' E' ' 15' ' ' GLN . 72.4 t -136.29 140.5 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 73.439999999999998 111.152 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 24.9 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 71.049999999999997 111.104 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.805 0.336 . . . . 73.409999999999997 110.876 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.93 101.87 6.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 62.310000000000002 111.121 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.07 -34.31 77.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 73.030000000000001 110.882 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' PHE . . . . . 0.677 ' CE1' ' HB2' ' F' ' 30' ' ' ALA . 5.9 m-85 -147.27 113.02 5.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 64.420000000000002 110.917 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -137.8 108.01 6.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 75.019999999999996 110.853 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -112.73 109.36 18.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.467 . . . . 65.530000000000001 110.882 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -110.69 101.98 10.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 50.229999999999997 110.908 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.5 m -145.51 176.88 9.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 72.140000000000001 110.9 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.34 -7.27 43.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.777 -0.725 . . . . 74.030000000000001 112.47 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.47 117.52 0.35 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.849 0.357 . . . . 74.329999999999998 110.929 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.55 119.88 36.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 70.239999999999995 110.909 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.8 t -135.58 114.01 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 62.350000000000001 111.103 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -126.16 131.79 51.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 74.129999999999995 110.85 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -138.94 121.59 16.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 74.230000000000004 110.846 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -129.92 135.38 48.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 71.019999999999996 110.898 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -130.11 122.33 28.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 54.140000000000001 110.923 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LEU . . . . . 0.623 ' HB2' HD13 ' B' ' 17' ' ' LEU . 3.9 mm? -117.26 104.28 11.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 61.240000000000002 110.923 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.5 t -107.39 116.48 51.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 74.340000000000003 111.17 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' PHE . . . . . 0.605 ' HE1' HD12 ' A' ' 17' ' ' LEU . 8.4 m-85 -101.22 107.91 19.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 63.200000000000003 110.891 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PHE . . . . . 0.552 ' C ' ' O ' ' A' ' 19' ' ' PHE . 7.3 p90 24.2 79.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 75.420000000000002 110.815 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.72 149.38 29.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 71.319999999999993 111.118 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.5 t0 63.85 66.4 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 64.329999999999998 110.856 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' VAL . . . . . 0.756 HG13 HG23 ' B' ' 24' ' ' VAL . 4.5 p -110.71 144.17 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 74.299999999999997 111.122 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.57 -50.03 58.8 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.717 -0.754 . . . . 60.340000000000003 112.518 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.9 m -160.53 129.96 5.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 75.219999999999999 110.867 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -100.48 102.29 13.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 74.140000000000001 110.881 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.23 149.67 35.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 73.409999999999997 110.868 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.79 -133.32 20.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.745 . . . . 43.0 112.459 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . 0.669 ' HB2' ' CE1' ' F' ' 4' ' ' PHE . . . -105.76 114.27 28.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.32 . . . . 74.200000000000003 111.119 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ILE . . . . . 0.524 ' N ' HD13 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -121.17 112.11 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 72.310000000000002 111.126 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -129.24 121.15 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 74.519999999999996 111.149 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.32 -48.7 84.66 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.757 -0.735 . . . . 53.020000000000003 112.458 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LEU . . . . . 0.831 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -160.73 147.59 15.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 74.019999999999996 110.873 -179.88 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.9 mtp -135.99 123.32 21.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 73.540000000000006 110.89 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' VAL . . . . . 0.595 HG11 HG21 ' F' ' 36' ' ' VAL . 74.1 t -129.11 113.38 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 72.420000000000002 111.142 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.14 17.81 77.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 54.240000000000002 112.482 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.18 -171.1 29.67 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.765 -0.731 . . . . 64.109999999999999 112.473 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' VAL . . . . . 0.886 HG13 HG23 ' B' ' 39' ' ' VAL . 14.6 p -169.18 150.45 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.373 . . . . 61.310000000000002 111.092 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' VAL . . . . . 0.407 ' HA ' HG22 ' B' ' 40' ' ' VAL . 34.9 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 70.519999999999996 111.121 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.782 0.325 . . . . 61.310000000000002 110.894 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.98 101.99 6.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 53.420000000000002 111.116 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.64 -32.32 72.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 63.009999999999998 110.895 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 4' ' ' PHE . . . . . 0.66 ' CE1' ' HB2' ' G' ' 30' ' ' ALA . 6.8 m-85 -149.0 111.83 4.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 74.310000000000002 110.854 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -133.41 108.04 8.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 74.420000000000002 110.865 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -114.22 109.37 18.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 62.329999999999998 110.879 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -111.87 102.13 10.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 73.239999999999995 110.861 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 8' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' C' ' 8' ' ' SER . 43.5 m -145.91 176.34 9.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 73.420000000000002 110.855 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.54 -7.31 42.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 73.200000000000003 112.493 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.4 116.05 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.847 0.356 . . . . 63.149999999999999 110.908 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.45 119.59 34.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 75.099999999999994 110.896 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.5 t -133.22 114.22 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 74.209999999999994 111.115 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -125.08 132.61 53.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 74.019999999999996 110.897 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -136.35 122.87 20.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 75.310000000000002 110.835 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -129.69 132.62 46.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 63.409999999999997 110.87 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -128.69 121.75 29.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 72.049999999999997 110.898 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 17' ' ' LEU . . . . . 0.623 HD13 ' HB2' ' A' ' 17' ' ' LEU . 4.1 mm? -120.06 102.29 8.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 75.239999999999995 110.886 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 60.9 t -105.91 116.12 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 75.129999999999995 111.087 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 19' ' ' PHE . . . . . 0.594 ' HE1' HD12 ' B' ' 17' ' ' LEU . 6.1 m-30 -101.08 99.88 10.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 74.349999999999994 110.911 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 20' ' ' PHE . . . . . 0.515 ' C ' ' O ' ' B' ' 19' ' ' PHE . 9.8 p90 27.3 79.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 61.439999999999998 110.858 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.03 149.85 27.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 54.439999999999998 111.097 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 25.0 t0 64.35 66.93 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 52.210000000000001 110.857 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 24' ' ' VAL . . . . . 0.798 HG13 HG23 ' C' ' 24' ' ' VAL . 3.5 p -110.17 142.98 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 52.439999999999998 111.126 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.8 -48.18 73.84 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.803 -0.713 . . . . 75.140000000000001 112.51 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 26' ' ' SER . . . . . 0.405 ' H ' HG22 ' B' ' 24' ' ' VAL . 10.5 m -160.64 128.51 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 64.230000000000004 110.879 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -100.04 101.71 12.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 72.409999999999997 110.878 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.82 152.32 30.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 72.530000000000001 110.904 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.54 -132.04 22.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 72.120000000000005 112.492 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . 0.641 ' HB2' ' CE1' ' G' ' 4' ' ' PHE . . . -107.62 114.21 28.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.789 0.328 . . . . 71.519999999999996 111.053 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' ILE . . . . . 0.548 ' N ' HD13 ' B' ' 31' ' ' ILE . 0.0 OUTLIER -118.8 111.94 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 74.430000000000007 111.137 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.417 HG21 ' HG3' ' B' ' 35' ' ' MET . 3.5 mt -127.62 123.69 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 74.099999999999994 111.157 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.96 -49.38 76.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 60.020000000000003 112.47 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' LEU . . . . . 0.909 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -156.91 147.34 21.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.338 . . . . 70.540000000000006 110.901 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' MET . . . . . 0.417 ' HG3' HG21 ' B' ' 32' ' ' ILE . 5.0 mtp -131.07 123.08 27.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 51.109999999999999 110.903 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' VAL . . . . . 0.782 HG11 HG21 ' G' ' 36' ' ' VAL . 91.1 t -134.73 112.31 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 64.010000000000005 111.137 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.98 19.15 69.58 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 74.109999999999999 112.474 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.71 -171.7 33.07 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 65.510000000000005 112.452 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' VAL . . . . . 0.886 HG23 HG13 ' A' ' 39' ' ' VAL . 14.8 p -168.28 149.62 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 64.310000000000002 111.115 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' VAL . . . . . 0.415 ' HA ' HG22 ' C' ' 40' ' ' VAL . 35.3 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 70.430000000000007 111.099 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.77 0.319 . . . . 74.010000000000005 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.69 102.42 6.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 73.439999999999998 111.153 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.75 -31.96 72.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 73.519999999999996 110.9 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 4' ' ' PHE . . . . . 0.637 ' CE1' ' HB2' ' H' ' 30' ' ' ALA . 7.2 m-85 -149.37 111.31 4.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 71.049999999999997 110.883 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -131.25 108.2 9.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 64.439999999999998 110.915 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -116.18 109.11 17.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 71.400000000000006 110.837 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -111.61 102.15 10.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 74.420000000000002 110.892 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 8' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' B' ' 8' ' ' SER . 45.9 m -145.88 175.97 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 43.509999999999998 110.872 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.36 -7.05 40.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 73.109999999999999 112.477 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -172.29 115.85 0.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.819 0.342 . . . . 74.439999999999998 110.913 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.7 119.92 34.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 75.219999999999999 110.891 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 99.4 t -132.11 113.94 22.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 71.530000000000001 111.113 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -124.86 132.5 53.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 72.420000000000002 110.893 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -135.27 123.45 22.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 70.329999999999998 110.854 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -129.97 132.2 46.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 73.540000000000006 110.895 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 16' ' ' LYS . . . . . 0.405 ' O ' HD22 ' C' ' 17' ' ' LEU . 10.9 tttp -127.71 121.79 31.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 64.319999999999993 110.93 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 17' ' ' LEU . . . . . 0.606 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.0 mm? -123.31 101.28 7.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 71.450000000000003 110.926 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 58.8 t -105.91 117.35 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 61.030000000000001 111.12 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 19' ' ' PHE . . . . . 0.569 ' HE1' HD12 ' C' ' 17' ' ' LEU . 4.6 m-30 -101.14 98.75 9.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 72.049999999999997 110.877 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 20' ' ' PHE . . . . . 0.522 ' C ' ' O ' ' C' ' 19' ' ' PHE . 9.8 p90 26.95 78.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 73.219999999999999 110.881 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.1 149.65 26.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 71.040000000000006 111.12 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t0 64.16 67.22 0.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 75.349999999999994 110.843 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 24' ' ' VAL . . . . . 0.798 HG23 HG13 ' B' ' 24' ' ' VAL . 3.4 p -110.06 142.72 21.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 73.439999999999998 111.089 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.76 -47.37 86.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.712 -0.756 . . . . 73.219999999999999 112.484 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 26' ' ' SER . . . . . 0.417 ' H ' HG22 ' C' ' 24' ' ' VAL . 11.4 m -160.19 128.03 4.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.358 . . . . 43.030000000000001 110.847 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 27' ' ' ASN . . . . . 0.411 ' OD1' HG11 ' C' ' 24' ' ' VAL . 22.9 m-20 -101.03 101.14 11.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 75.239999999999995 110.876 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.03 152.47 30.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 73.219999999999999 110.883 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.54 -132.67 20.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 61.43 112.493 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . 0.644 ' HB2' ' CE1' ' H' ' 4' ' ' PHE . . . -106.54 113.77 27.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 73.120000000000005 111.085 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 31' ' ' ILE . . . . . 0.551 ' N ' HD13 ' C' ' 31' ' ' ILE . 0.0 OUTLIER -118.09 111.15 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 65.109999999999999 111.134 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.465 HG21 ' HG3' ' C' ' 35' ' ' MET . 3.4 mt -126.84 123.47 62.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 64.329999999999998 111.181 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.2 -49.61 73.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 61.509999999999998 112.448 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 34' ' ' LEU . . . . . 0.896 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -155.54 146.19 22.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.341 . . . . 60.340000000000003 110.909 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' C' C ' 35' ' ' MET . . . . . 0.465 ' HG3' HG21 ' C' ' 32' ' ' ILE . 5.0 mtp -129.02 122.68 30.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 75.219999999999999 110.907 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 36' ' ' VAL . . . . . 0.838 HG21 HG11 ' H' ' 36' ' ' VAL . 93.9 t -136.01 111.52 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 75.150000000000006 111.163 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.04 20.73 67.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.804 -0.712 . . . . 70.299999999999997 112.488 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.0 -171.74 34.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.658 -0.782 . . . . 72.109999999999999 112.48 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 39' ' ' VAL . . . . . 0.887 HG13 HG23 ' D' ' 39' ' ' VAL . 14.8 p -167.61 149.47 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.37 . . . . 75.230000000000004 111.117 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 40' ' ' VAL . . . . . 0.442 ' HA ' HG22 ' D' ' 40' ' ' VAL . 35.9 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 71.329999999999998 111.11 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.795 0.331 . . . . 63.530000000000001 110.873 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.96 102.5 6.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 73.120000000000005 111.125 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.14 -32.19 73.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 42.329999999999998 110.897 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 4' ' ' PHE . . . . . 0.658 ' CE1' ' HB2' ' I' ' 30' ' ' ALA . 7.0 m-85 -148.97 110.83 4.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 74.549999999999997 110.914 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -129.75 108.09 9.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 62.329999999999998 110.855 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -118.2 108.92 15.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 74.409999999999997 110.881 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -110.38 102.34 10.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 73.239999999999995 110.83 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 8' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' C' ' 8' ' ' SER . 48.0 m -146.14 174.34 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 71.239999999999995 110.841 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.02 -6.14 40.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.743 . . . . 73.25 112.494 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -171.89 116.44 0.38 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.8 0.333 . . . . 73.400000000000006 110.883 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.11 121.85 36.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 75.239999999999995 110.894 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 98.8 t -131.95 114.01 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 74.219999999999999 111.084 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -126.4 132.41 51.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 75.519999999999996 110.874 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -134.91 123.76 23.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 72.25 110.826 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -130.41 131.32 45.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 74.239999999999995 110.918 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 16' ' ' LYS . . . . . 0.468 ' O ' HD22 ' D' ' 17' ' ' LEU . 11.3 tttp -126.42 120.5 29.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 64.409999999999997 110.902 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 17' ' ' LEU . . . . . 0.56 HD12 ' HE1' ' D' ' 19' ' ' PHE . 3.8 mm? -125.5 100.37 6.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 62.25 110.904 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 59.5 t -105.86 119.01 54.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 73.319999999999993 111.138 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 19' ' ' PHE . . . . . 0.56 ' HE1' HD12 ' D' ' 17' ' ' LEU . 4.0 m-30 -100.93 97.01 7.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 74.010000000000005 110.91 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 20' ' ' PHE . . . . . 0.523 ' C ' ' O ' ' D' ' 19' ' ' PHE . 10.0 p90 27.22 77.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 63.240000000000002 110.901 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.37 149.63 25.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 71.299999999999997 111.109 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 25.1 t0 64.01 67.72 0.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 63.229999999999997 110.888 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 24' ' ' VAL . . . . . 0.797 HG13 HG23 ' E' ' 24' ' ' VAL . 3.5 p -110.53 142.44 22.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 74.409999999999997 111.097 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.45 -47.05 90.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.729 . . . . 41.229999999999997 112.495 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 26' ' ' SER . . . . . 0.415 ' H ' HG22 ' D' ' 24' ' ' VAL . 10.1 m -160.43 126.93 4.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.916 0.389 . . . . 62.310000000000002 110.851 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -101.01 102.65 13.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 75.439999999999998 110.882 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.97 152.5 30.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 74.310000000000002 110.874 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.83 -132.57 19.89 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.717 -0.754 . . . . 33.43 112.515 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . 0.664 ' HB2' ' CE1' ' I' ' 4' ' ' PHE . . . -106.91 113.43 26.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.751 0.31 . . . . 74.430000000000007 111.11 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 31' ' ' ILE . . . . . 0.557 ' N ' HD13 ' D' ' 31' ' ' ILE . 0.0 OUTLIER -116.97 111.25 34.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 72.450000000000003 111.121 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.495 HG21 ' HG3' ' D' ' 35' ' ' MET . 3.3 mt -126.06 123.53 64.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 74.319999999999993 111.133 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.99 -51.38 57.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 44.25 112.521 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 34' ' ' LEU . . . . . 0.91 HD22 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -153.42 144.71 23.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 73.200000000000003 110.927 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' D' D ' 35' ' ' MET . . . . . 0.495 ' HG3' HG21 ' D' ' 32' ' ' ILE . 5.0 mtp -128.68 122.05 29.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 73.219999999999999 110.874 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 36' ' ' VAL . . . . . 0.867 HG11 HG21 ' I' ' 36' ' ' VAL . 98.9 t -136.96 111.0 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 73.239999999999995 111.128 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.04 20.05 66.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.681 -0.771 . . . . 41.329999999999998 112.488 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.1 -171.37 35.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 74.510000000000005 112.523 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 39' ' ' VAL . . . . . 0.887 HG23 HG13 ' C' ' 39' ' ' VAL . 14.5 p -166.87 150.32 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 42.350000000000001 111.085 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 40' ' ' VAL . . . . . 0.482 ' HA ' HG22 ' E' ' 40' ' ' VAL . 35.7 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 74.239999999999995 111.115 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.781 0.324 . . . . 45.240000000000002 110.921 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.31 102.45 6.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 71.299999999999997 111.073 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 3' ' ' GLU . . . . . 0.422 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . 1.7 mp0 -65.81 -31.34 72.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 64.230000000000004 110.93 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 4' ' ' PHE . . . . . 0.61 ' CE1' ' HB2' ' J' ' 30' ' ' ALA . 7.2 m-85 -148.69 113.4 5.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 63.329999999999998 110.885 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -129.52 106.42 8.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 73.439999999999998 110.863 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -118.83 109.08 15.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 75.120000000000005 110.86 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -108.38 101.45 10.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 70.510000000000005 110.881 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 47.5 m -148.47 169.6 19.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 74.519999999999996 110.835 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.15 -5.57 43.45 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.711 -0.757 . . . . 74.030000000000001 112.486 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -170.93 115.21 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.366 . . . . 74.099999999999994 110.895 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.91 123.71 38.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 52.149999999999999 110.894 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 92.8 t -129.89 115.17 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 73.310000000000002 111.105 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -126.33 133.48 51.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 71.329999999999998 110.865 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -134.58 124.35 25.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 74.209999999999994 110.862 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -131.94 132.6 43.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 73.430000000000007 110.922 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 16' ' ' LYS . . . . . 0.548 ' O ' HD22 ' E' ' 17' ' ' LEU . 10.5 tttp -126.96 120.58 29.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 65.219999999999999 110.896 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 17' ' ' LEU . . . . . 0.548 HD22 ' O ' ' E' ' 16' ' ' LYS . 3.8 mm? -128.0 100.06 5.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 72.340000000000003 110.92 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 60.3 t -104.4 120.67 55.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 71.439999999999998 111.09 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 19' ' ' PHE . . . . . 0.532 ' HE1' HD12 ' E' ' 17' ' ' LEU . 3.5 m-30 -103.5 95.95 6.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 73.129999999999995 110.909 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 20' ' ' PHE . . . . . 0.511 ' C ' ' O ' ' E' ' 19' ' ' PHE . 12.3 p90 29.02 75.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 73.010000000000005 110.839 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.84 147.08 27.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 72.209999999999994 111.083 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 24.6 t0 62.27 69.13 0.63 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 72.5 110.887 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 24' ' ' VAL . . . . . 0.797 HG23 HG13 ' D' ' 24' ' ' VAL . 4.2 p -110.19 141.66 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 64.439999999999998 111.114 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.34 -47.04 92.0 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.756 -0.735 . . . . 55.240000000000002 112.493 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 10.8 m -160.59 126.3 3.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 71.420000000000002 110.882 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -101.33 102.84 13.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 74.25 110.898 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.14 152.77 30.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 72.310000000000002 110.945 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.75 -134.01 21.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 74.030000000000001 112.478 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 30' ' ' ALA . . . . . 0.638 ' HB2' ' CZ ' ' J' ' 4' ' ' PHE . . . -103.85 113.7 27.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.743 0.306 . . . . 51.140000000000001 111.136 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 31' ' ' ILE . . . . . 0.481 ' N ' HD13 ' E' ' 31' ' ' ILE . 0.0 OUTLIER -115.95 112.75 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 73.450000000000003 111.123 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' E' E ' 32' ' ' ILE . . . . . 0.558 HG21 ' HG3' ' E' ' 35' ' ' MET . 3.3 mt -128.04 120.58 54.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 74.239999999999995 111.118 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.6 -47.8 88.34 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 62.340000000000003 112.459 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 34' ' ' LEU . . . . . 0.85 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -153.32 148.14 26.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.849 0.357 . . . . 74.030000000000001 110.933 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' E' E ' 35' ' ' MET . . . . . 0.558 ' HG3' HG21 ' E' ' 32' ' ' ILE . 4.9 mtp -134.21 120.12 19.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 63.229999999999997 110.847 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 36' ' ' VAL . . . . . 0.724 HG11 HG21 ' J' ' 36' ' ' VAL . 93.8 t -138.0 111.18 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 74.010000000000005 111.144 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.84 21.21 63.0 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.761 -0.733 . . . . 64.319999999999993 112.485 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.9 -171.16 35.56 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 71.219999999999999 112.46 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' E' E ' 39' ' ' VAL . . . . . 0.805 HG23 HG13 ' D' ' 39' ' ' VAL . 14.7 p -166.9 150.03 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 72.230000000000004 111.131 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' E' E ' 40' ' ' VAL . . . . . 0.482 HG22 ' HA ' ' D' ' 40' ' ' VAL . 29.0 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 74.510000000000005 111.139 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.83 0.348 . . . . 72.230000000000004 110.841 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.42 101.94 6.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 73.430000000000007 111.111 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -67.03 -33.76 76.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 53.340000000000003 110.882 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 4' ' ' PHE . . . . . 0.669 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 6.0 m-85 -147.08 113.46 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 71.219999999999999 110.857 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -137.85 108.16 6.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 61.149999999999999 110.913 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -112.49 109.43 19.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 70.540000000000006 110.884 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -110.45 102.34 10.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 75.219999999999999 110.863 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 45.0 m -145.93 176.61 9.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 74.129999999999995 110.864 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.29 -7.33 43.41 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 74.010000000000005 112.475 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.29 117.58 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 65.219999999999999 110.899 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.14 119.57 35.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 74.329999999999998 110.912 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 89.8 t -135.56 114.14 15.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.475 . . . . 73.299999999999997 111.078 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -126.38 132.16 51.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 72.25 110.817 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -139.12 121.93 16.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 71.340000000000003 110.882 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -130.6 135.09 47.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 64.200000000000003 110.886 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -130.12 122.66 28.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 74.530000000000001 110.948 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 17' ' ' LEU . . . . . 0.628 ' HB2' HD13 ' G' ' 17' ' ' LEU . 3.9 mm? -117.34 104.29 10.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 72.120000000000005 110.936 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 60.6 t -107.38 116.76 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 74.530000000000001 111.143 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 19' ' ' PHE . . . . . 0.58 ' HE1' HD12 ' F' ' 17' ' ' LEU . 8.3 m-85 -101.42 107.65 19.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 75.450000000000003 110.873 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 20' ' ' PHE . . . . . 0.558 ' C ' ' O ' ' F' ' 19' ' ' PHE . 7.2 p90 24.41 79.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 71.349999999999994 110.884 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.69 149.21 29.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 65.140000000000001 111.085 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 24.4 t0 64.46 66.22 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 54.100000000000001 110.892 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 24' ' ' VAL . . . . . 0.76 HG13 HG23 ' G' ' 24' ' ' VAL . 4.6 p -110.94 144.43 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 74.209999999999994 111.145 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.18 -50.06 60.87 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 54.140000000000001 112.499 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 11.4 m -160.44 128.82 4.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.378 . . . . 73.239999999999995 110.854 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -98.97 101.62 13.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 74.209999999999994 110.864 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.87 150.33 33.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 73.450000000000003 110.942 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.59 -134.2 22.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 62.310000000000002 112.453 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 30' ' ' ALA . . . . . 0.677 ' HB2' ' CE1' ' A' ' 4' ' ' PHE . . . -104.99 113.8 27.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.32 . . . . 75.340000000000003 111.088 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 31' ' ' ILE . . . . . 0.533 ' N ' HD13 ' F' ' 31' ' ' ILE . 0.0 OUTLIER -121.0 112.71 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 73.329999999999998 111.108 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mt -129.68 120.8 51.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 64.120000000000005 111.139 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 33' ' ' GLY . . . . . 0.4 ' HA3' ' HB3' ' F' ' 19' ' ' PHE . . . -58.39 -49.6 74.82 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.689 -0.767 . . . . 75.019999999999996 112.478 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 34' ' ' LEU . . . . . 0.852 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -160.8 147.8 15.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 71.329999999999998 110.915 -179.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtp -135.26 123.31 22.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 62.43 110.915 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 36' ' ' VAL . . . . . 0.595 HG21 HG11 ' A' ' 36' ' ' VAL . 74.7 t -129.03 113.27 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 51.420000000000002 111.171 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.74 17.21 76.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.779 -0.724 . . . . 62.329999999999998 112.463 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.29 -171.2 29.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 72.010000000000005 112.498 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' F' F ' 39' ' ' VAL . . . . . 0.886 HG13 HG23 ' G' ' 39' ' ' VAL . 14.8 p -168.97 149.97 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 71.310000000000002 111.109 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' F' F ' 40' ' ' VAL . . . . . 0.441 HG12 HG22 ' G' ' 40' ' ' VAL . 34.2 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 55.350000000000001 111.142 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.8 0.333 . . . . 72.310000000000002 110.867 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.88 101.58 6.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 62.219999999999999 111.142 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -67.03 -33.75 76.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 73.010000000000005 110.884 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 4' ' ' PHE . . . . . 0.641 ' CE1' ' HB2' ' B' ' 30' ' ' ALA . 7.0 m-85 -148.48 112.42 5.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 72.450000000000003 110.911 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -133.24 108.44 8.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 74.340000000000003 110.894 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -113.83 108.9 17.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 43.420000000000002 110.803 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -111.19 102.18 10.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 71.120000000000005 110.918 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 8' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' H' ' 8' ' ' SER . 45.5 m -146.34 176.16 9.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 72.109999999999999 110.865 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.59 -7.23 42.77 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 64.120000000000005 112.44 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.37 116.22 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 72.239999999999995 110.908 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.31 119.41 33.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 71.430000000000007 110.851 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 96.7 t -133.3 114.24 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 62.310000000000002 111.174 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 42.0 m170 -125.24 132.62 52.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 62.329999999999998 110.864 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -136.27 123.01 21.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 75.099999999999994 110.828 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -130.41 132.6 45.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 64.420000000000002 110.92 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -128.77 122.98 31.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 70.430000000000007 110.906 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 17' ' ' LEU . . . . . 0.635 ' HB2' HD13 ' H' ' 17' ' ' LEU . 4.2 mm? -120.33 102.27 8.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 72.340000000000003 110.914 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 60.4 t -105.9 115.8 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 71.209999999999994 111.158 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 19' ' ' PHE . . . . . 0.573 ' HE1' HD12 ' G' ' 17' ' ' LEU . 6.0 m-30 -101.08 99.71 10.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 71.150000000000006 110.894 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' G' G ' 20' ' ' PHE . . . . . 0.521 ' C ' ' O ' ' G' ' 19' ' ' PHE . 10.2 p90 27.45 79.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 75.010000000000005 110.844 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.3 149.99 27.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 54.329999999999998 111.054 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t0 64.47 66.82 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 73.310000000000002 110.875 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 24' ' ' VAL . . . . . 0.822 HG13 HG23 ' H' ' 24' ' ' VAL . 3.6 p -110.3 143.2 20.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 50.240000000000002 111.141 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.48 -48.2 78.04 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 22.309999999999999 112.492 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 10.8 m -160.28 127.8 4.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 72.400000000000006 110.887 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -99.89 101.13 12.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 64.430000000000007 110.868 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.53 153.19 29.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 73.420000000000002 110.846 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.42 -132.5 22.97 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.735 -0.745 . . . . 72.310000000000002 112.489 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 30' ' ' ALA . . . . . 0.66 ' HB2' ' CE1' ' B' ' 4' ' ' PHE . . . -107.46 113.97 27.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 63.450000000000003 111.118 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' G' G ' 31' ' ' ILE . . . . . 0.556 ' N ' HD13 ' G' ' 31' ' ' ILE . 0.0 OUTLIER -118.73 112.33 37.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 72.519999999999996 111.176 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' G' G ' 32' ' ' ILE . . . . . 0.416 HG21 ' HG3' ' G' ' 35' ' ' MET . 3.5 mt -127.83 123.69 61.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 73.319999999999993 111.17 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.01 -49.73 72.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 62.009999999999998 112.464 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 34' ' ' LEU . . . . . 0.909 HD22 ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -157.12 147.3 20.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.836 0.35 . . . . 64.209999999999994 110.915 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' G' G ' 35' ' ' MET . . . . . 0.416 ' HG3' HG21 ' G' ' 32' ' ' ILE . 5.0 mtp -131.07 123.19 28.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 43.130000000000003 110.855 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' G' G ' 36' ' ' VAL . . . . . 0.782 HG21 HG11 ' B' ' 36' ' ' VAL . 85.9 t -134.61 112.43 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 73.319999999999993 111.168 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.38 18.64 69.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 72.340000000000003 112.47 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.22 -171.95 32.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.773 -0.727 . . . . 72.409999999999997 112.508 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' G' G ' 39' ' ' VAL . . . . . 0.903 HG13 HG23 ' H' ' 39' ' ' VAL . 14.8 p -168.08 149.47 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.885 0.374 . . . . 72.409999999999997 111.099 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' G' G ' 40' ' ' VAL . . . . . 0.441 HG22 HG12 ' F' ' 40' ' ' VAL . 34.3 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 71.400000000000006 111.089 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.808 0.337 . . . . 72.200000000000003 110.857 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.97 102.47 6.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 71.030000000000001 111.091 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.58 -33.83 76.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 71.439999999999998 110.897 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 4' ' ' PHE . . . . . 0.644 ' CE1' ' HB2' ' C' ' 30' ' ' ALA . 6.9 m-85 -148.77 112.28 5.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 75.030000000000001 110.904 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -131.64 108.11 9.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 64.430000000000007 110.838 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -115.08 108.81 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 62.329999999999998 110.854 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -111.2 102.1 10.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 75.010000000000005 110.874 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 8' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' I' ' 8' ' ' SER . 45.7 m -145.86 175.65 10.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 72.409999999999997 110.86 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.73 -7.41 41.98 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 41.340000000000003 112.485 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -172.34 115.57 0.33 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.839 0.352 . . . . 73.109999999999999 110.947 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.86 119.87 33.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 75.430000000000007 110.897 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 98.9 t -132.37 114.08 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 72.329999999999998 111.114 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 43.0 m170 -125.22 132.3 53.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 74.319999999999993 110.889 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -135.21 123.31 22.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 61.210000000000001 110.843 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -130.4 132.38 45.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 52.539999999999999 110.911 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -127.49 122.3 33.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 73.25 110.901 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 17' ' ' LEU . . . . . 0.635 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.2 mm? -122.5 100.98 7.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 70.120000000000005 110.905 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 59.5 t -106.07 116.52 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 70.140000000000001 111.139 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 19' ' ' PHE . . . . . 0.529 ' HE1' HD12 ' H' ' 17' ' ' LEU . 4.5 m-30 -100.91 98.55 9.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 73.450000000000003 110.874 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 20' ' ' PHE . . . . . 0.521 ' C ' ' O ' ' H' ' 19' ' ' PHE . 10.4 p90 27.29 78.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 53.130000000000003 110.868 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.77 150.03 26.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 60.539999999999999 111.047 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 24.6 t0 64.01 67.21 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 73.409999999999997 110.884 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 24' ' ' VAL . . . . . 0.822 HG23 HG13 ' G' ' 24' ' ' VAL . 3.3 p -110.19 142.5 22.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 75.120000000000005 111.113 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.62 -47.49 84.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.732 . . . . 63.450000000000003 112.466 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 26' ' ' SER . . . . . 0.401 ' H ' HG22 ' H' ' 24' ' ' VAL . 10.9 m -160.23 126.94 4.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.935 0.398 . . . . 63.43 110.818 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 27' ' ' ASN . . . . . 0.408 ' OD1' HG11 ' H' ' 24' ' ' VAL . 21.7 m-20 -99.77 101.14 12.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 73.109999999999999 110.888 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.51 153.34 28.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 74.219999999999999 110.913 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.62 -133.19 23.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 51.100000000000001 112.509 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 30' ' ' ALA . . . . . 0.637 ' HB2' ' CE1' ' C' ' 4' ' ' PHE . . . -106.42 113.84 27.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 74.040000000000006 111.041 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 31' ' ' ILE . . . . . 0.554 ' N ' HD13 ' H' ' 31' ' ' ILE . 0.0 OUTLIER -117.71 111.73 35.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 72.209999999999994 111.147 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' H' H ' 32' ' ' ILE . . . . . 0.462 HG21 ' HG3' ' H' ' 35' ' ' MET . 3.5 mt -127.1 123.21 61.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 70.409999999999997 111.123 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.19 -49.97 69.65 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 61.439999999999998 112.515 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 34' ' ' LEU . . . . . 0.922 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -155.54 145.71 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 72.439999999999998 110.95 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' H' H ' 35' ' ' MET . . . . . 0.462 ' HG3' HG21 ' H' ' 32' ' ' ILE . 5.0 mtp -128.98 122.91 31.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 61.530000000000001 110.921 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 36' ' ' VAL . . . . . 0.838 HG11 HG21 ' C' ' 36' ' ' VAL . 99.5 t -136.69 112.34 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 70.049999999999997 111.163 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.66 19.59 67.26 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 73.010000000000005 112.493 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.41 -171.58 33.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 64.329999999999998 112.448 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' H' H ' 39' ' ' VAL . . . . . 0.908 HG13 HG23 ' I' ' 39' ' ' VAL . 14.7 p -168.07 149.71 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.368 . . . . 71.329999999999998 111.123 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' H' H ' 40' ' ' VAL . . . . . 0.471 ' HA ' HG22 ' I' ' 40' ' ' VAL . 36.0 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 62.210000000000001 111.135 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.838 0.352 . . . . 75.329999999999998 110.846 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.81 102.52 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 54.25 111.108 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.78 -33.87 76.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 60.340000000000003 110.919 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 4' ' ' PHE . . . . . 0.664 ' CE1' ' HB2' ' D' ' 30' ' ' ALA . 6.8 m-85 -148.55 111.85 4.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 73.109999999999999 110.881 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -130.39 108.09 9.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 75.530000000000001 110.88 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -117.28 108.66 15.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 73.209999999999994 110.842 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -110.39 102.26 10.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 73.239999999999995 110.859 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 8' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' H' ' 8' ' ' SER . 45.0 m -146.31 174.36 11.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 43.240000000000002 110.844 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.47 -6.46 41.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.775 -0.726 . . . . 53.25 112.496 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.28 116.57 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 73.329999999999998 110.892 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.89 121.37 35.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 74.340000000000003 110.854 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 98.1 t -131.65 113.91 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 73.299999999999997 111.145 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 46.9 m170 -126.3 132.42 51.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 74.230000000000004 110.858 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -135.08 123.81 23.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 64.329999999999998 110.845 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -130.93 131.64 44.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 73.310000000000002 110.935 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 16' ' ' LYS . . . . . 0.484 ' O ' HD22 ' I' ' 17' ' ' LEU . 11.1 tttp -126.26 121.07 31.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 70.109999999999999 110.884 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' I' I ' 17' ' ' LEU . . . . . 0.544 HD13 ' HB2' ' H' ' 17' ' ' LEU . 4.1 mm? -124.91 100.3 6.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 71.030000000000001 110.924 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 59.5 t -106.23 118.06 53.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 74.209999999999994 111.098 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 19' ' ' PHE . . . . . 0.525 ' O ' ' C ' ' I' ' 20' ' ' PHE . 3.9 m-30 -100.54 97.48 8.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 74.439999999999998 110.883 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' I' I ' 20' ' ' PHE . . . . . 0.525 ' C ' ' O ' ' I' ' 19' ' ' PHE . 9.9 p90 27.1 77.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 72.340000000000003 110.844 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.13 149.6 26.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 63.030000000000001 111.102 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 25.4 t0 64.08 67.61 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 74.239999999999995 110.845 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 24' ' ' VAL . . . . . 0.797 HG13 HG23 ' J' ' 24' ' ' VAL . 3.3 p -110.54 142.27 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 74.420000000000002 111.094 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.2 -46.96 91.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 62.329999999999998 112.521 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 26' ' ' SER . . . . . 0.409 ' H ' HG22 ' I' ' 24' ' ' VAL . 10.2 m -160.45 125.96 3.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 70.109999999999999 110.876 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' I' I ' 27' ' ' ASN . . . . . 0.402 ' CG ' HG11 ' I' ' 24' ' ' VAL . 24.7 m-20 -100.11 102.08 13.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 62.219999999999999 110.854 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.23 153.72 27.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 72.420000000000002 110.943 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.76 -133.92 23.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 73.310000000000002 112.509 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 30' ' ' ALA . . . . . 0.658 ' HB2' ' CE1' ' D' ' 4' ' ' PHE . . . -105.62 113.51 27.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 60.299999999999997 111.071 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' I' I ' 31' ' ' ILE . . . . . 0.551 ' N ' HD13 ' I' ' 31' ' ' ILE . 0.0 OUTLIER -116.87 112.34 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 71.400000000000006 111.107 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' I' I ' 32' ' ' ILE . . . . . 0.461 HG21 ' HG3' ' I' ' 35' ' ' MET . 3.4 mt -127.14 124.23 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 75.040000000000006 111.16 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.84 -51.96 51.81 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.699 -0.762 . . . . 44.340000000000003 112.492 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 34' ' ' LEU . . . . . 0.885 HD22 ' O ' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -153.18 144.84 23.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.86 0.362 . . . . 70.349999999999994 110.925 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' I' I ' 35' ' ' MET . . . . . 0.461 ' HG3' HG21 ' I' ' 32' ' ' ILE . 5.0 mtp -128.85 122.38 30.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 70.010000000000005 110.887 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' I' I ' 36' ' ' VAL . . . . . 0.867 HG21 HG11 ' D' ' 36' ' ' VAL . 96.6 t -137.01 111.37 9.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 61.299999999999997 111.147 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.85 20.38 66.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 42.240000000000002 112.491 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.99 -171.0 33.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.737 . . . . 62.119999999999997 112.465 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' I' I ' 39' ' ' VAL . . . . . 0.908 HG23 HG13 ' H' ' 39' ' ' VAL . 14.2 p -167.27 150.62 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 42.009999999999998 111.142 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' I' I ' 40' ' ' VAL . . . . . 0.471 HG22 ' HA ' ' H' ' 40' ' ' VAL . 35.9 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 73.420000000000002 111.104 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.83 0.348 . . . . 64.129999999999995 110.883 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.03 102.23 6.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 73.540000000000006 111.105 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -65.38 -34.02 77.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 73.530000000000001 110.858 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' J' J ' 4' ' ' PHE . . . . . 0.638 ' CZ ' ' HB2' ' E' ' 30' ' ' ALA . 6.4 m-85 -148.52 113.73 5.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 64.5 110.877 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -130.35 107.08 8.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 74.319999999999993 110.894 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -118.55 108.68 15.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 70.120000000000005 110.886 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -108.55 101.82 10.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 72.209999999999994 110.872 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 45.4 m -148.14 169.63 19.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 64.099999999999994 110.876 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.26 -5.98 45.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.704 -0.76 . . . . 51.299999999999997 112.44 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -171.88 115.21 0.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 65.420000000000002 110.959 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.33 123.13 37.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 61.200000000000003 110.874 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 91.3 t -130.07 115.03 31.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 71.140000000000001 111.106 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 46.1 m170 -125.79 133.42 52.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 73.329999999999998 110.867 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -134.29 124.25 25.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 74.109999999999999 110.86 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -132.54 132.66 42.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 73.200000000000003 110.925 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' J' J ' 16' ' ' LYS . . . . . 0.555 ' O ' HD22 ' J' ' 17' ' ' LEU . 10.7 tttp -126.76 121.1 31.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 72.120000000000005 110.942 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' J' J ' 17' ' ' LEU . . . . . 0.555 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.0 mm? -127.72 100.25 5.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 74.450000000000003 110.903 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 59.5 t -104.9 119.62 54.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 70.129999999999995 111.133 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' J' J ' 19' ' ' PHE . . . . . 0.511 ' HE1' HD12 ' J' ' 17' ' ' LEU . 3.5 m-30 -102.54 96.4 6.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 75.549999999999997 110.864 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' J' J ' 20' ' ' PHE . . . . . 0.509 ' C ' ' O ' ' J' ' 19' ' ' PHE . 12.2 p90 28.98 74.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 61.130000000000003 110.899 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.52 146.75 28.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 51.210000000000001 111.101 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 24.4 t0 62.72 68.95 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 72.129999999999995 110.886 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' J' J ' 24' ' ' VAL . . . . . 0.797 HG23 HG13 ' I' ' 24' ' ' VAL . 3.9 p -110.32 141.2 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 61.210000000000001 111.1 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.91 -47.07 91.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 52.299999999999997 112.484 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 11.0 m -160.39 125.14 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.362 . . . . 52.409999999999997 110.847 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' J' J ' 27' ' ' ASN . . . . . 0.402 ' CG ' HG11 ' J' ' 24' ' ' VAL . 24.1 m-20 -100.29 102.49 13.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 72.409999999999997 110.937 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.58 152.88 29.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 65.230000000000004 110.871 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' J' J ' 29' ' ' GLY . . . . . 0.422 ' HA2' ' HA ' ' E' ' 3' ' ' GLU . . . 71.78 -135.54 23.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 71.439999999999998 112.491 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' J' J ' 30' ' ' ALA . . . . . 0.61 ' HB2' ' CE1' ' E' ' 4' ' ' PHE . . . -102.9 113.44 26.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.787 0.327 . . . . 65.430000000000007 111.098 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' J' J ' 31' ' ' ILE . . . . . 0.481 ' N ' HD13 ' J' ' 31' ' ' ILE . 0.0 OUTLIER -115.32 113.94 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 74.209999999999994 111.107 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' J' J ' 32' ' ' ILE . . . . . 0.547 HG21 ' HG3' ' J' ' 35' ' ' MET . 3.4 mt -128.67 121.0 53.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 72.349999999999994 111.108 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.03 -48.76 81.2 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 61.310000000000002 112.44 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' J' J ' 34' ' ' LEU . . . . . 0.847 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -152.92 147.8 26.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.828 0.347 . . . . 72.310000000000002 110.899 -179.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' J' J ' 35' ' ' MET . . . . . 0.547 ' HG3' HG21 ' J' ' 32' ' ' ILE . 5.0 mtp -133.6 120.27 20.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 51.439999999999998 110.873 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' J' J ' 36' ' ' VAL . . . . . 0.724 HG21 HG11 ' E' ' 36' ' ' VAL . 94.8 t -138.08 111.63 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 74.230000000000004 111.117 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.81 20.84 62.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 70.310000000000002 112.464 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.93 -171.31 35.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.723 -0.751 . . . . 72.25 112.509 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' J' J ' 39' ' ' VAL . . . . . 0.83 HG23 HG13 ' I' ' 39' ' ' VAL . 14.6 p -167.1 149.66 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 73.439999999999998 111.094 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' J' J ' 40' ' ' VAL . . . . . 0.459 HG22 ' HA ' ' I' ' 40' ' ' VAL . 31.2 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 73.120000000000005 111.145 179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.824 0.345 . . . . 75.439999999999998 110.875 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.03 77.35 3.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 73.409999999999997 111.076 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.404 ' CB ' ' HA2' ' F' ' 29' ' ' GLY . 0.2 OUTLIER -51.87 -43.18 63.16 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 72.219999999999999 110.866 -179.96 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.415 ' CE1' ' HB3' ' F' ' 30' ' ' ALA . 0.3 OUTLIER -168.76 116.51 0.66 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 72.230000000000004 110.904 -179.895 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -111.45 108.48 18.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 75.430000000000007 110.853 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -98.1 109.34 22.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.459 . . . . 73.230000000000004 110.85 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -118.08 101.44 8.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.177 -0.465 . . . . 65.319999999999993 110.871 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 1.8 m -149.46 175.93 11.04 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.206 -0.452 . . . . 72.530000000000001 110.812 -179.757 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.57 -9.2 33.69 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.777 -0.725 . . . . 63.350000000000001 112.502 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.34 114.75 0.31 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.887 0.375 . . . . 72.420000000000002 110.965 -179.781 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -107.0 119.84 40.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.094 -0.503 . . . . 74.430000000000007 110.904 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.0 t -126.13 113.27 33.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 75.329999999999998 111.175 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 54.4 m170 -115.12 114.51 25.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.468 . . . . 74.319999999999993 110.84 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -130.41 126.01 35.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.445 . . . . 72.340000000000003 110.847 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.418 ' OE1' HG12 ' F' ' 39' ' ' VAL . 19.1 pt20 -123.92 134.2 53.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 64.510000000000005 110.922 -179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.437 ' O ' HD22 ' A' ' 17' ' ' LEU . 6.7 tptm -124.87 121.77 35.47 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 52.140000000000001 110.872 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.657 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.5 mm? -122.91 102.06 7.79 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 55.210000000000001 110.885 179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.504 HG12 ' HB2' ' A' ' 21' ' ' ALA . 66.4 t -111.77 117.03 54.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 63.450000000000003 111.161 179.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.608 ' CE2' HD23 ' B' ' 34' ' ' LEU . 4.6 m-85 -113.69 137.74 51.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 60.229999999999997 110.899 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.455 ' HZ ' HG22 ' A' ' 31' ' ' ILE . 1.7 m-85 63.25 53.81 2.16 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.177 -0.465 . . . . 74.349999999999994 110.882 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.504 ' HB2' HG12 ' A' ' 18' ' ' VAL . . . -93.15 108.87 20.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 31.32 111.079 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 53.1 t0 63.57 103.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.447 . . . . 75.439999999999998 110.891 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.658 HG11 ' ND2' ' A' ' 27' ' ' ASN . 21.3 t -131.39 133.75 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 72.219999999999999 111.159 179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.2 -40.55 81.83 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.759 -0.734 . . . . 63.329999999999998 112.491 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.75 125.1 0.1 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.856 0.36 . . . . 55.229999999999997 110.887 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.658 ' ND2' HG11 ' A' ' 24' ' ' VAL . 28.0 m120 -102.77 111.01 23.13 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.149 -0.478 . . . . 62.32 110.874 -179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -113.42 165.01 12.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.196 -0.456 . . . . 74.239999999999995 110.903 179.884 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.94 -133.74 27.52 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.748 -0.739 . . . . 71.409999999999997 112.503 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.677 ' O ' HD13 ' A' ' 31' ' ' ILE . . . -97.16 117.39 31.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.702 0.286 . . . . 75.530000000000001 111.129 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.677 HD13 ' O ' ' A' ' 30' ' ' ALA . 25.7 mm -129.68 131.73 66.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 51.030000000000001 111.117 179.997 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.611 HG21 ' HB2' ' A' ' 35' ' ' MET . 2.9 mp -125.89 112.46 30.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 71.129999999999995 111.133 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.65 -17.83 79.97 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.75 -0.738 . . . . 64.329999999999998 112.448 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.723 HD12 HD22 ' B' ' 34' ' ' LEU . 3.0 tm? -171.73 109.65 0.27 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.822 0.344 . . . . 65.420000000000002 110.914 -179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.611 ' HB2' HG21 ' A' ' 32' ' ' ILE . 2.4 ttp -117.29 125.18 50.66 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 71.349999999999994 110.844 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.46 HG23 ' CD1' ' A' ' 34' ' ' LEU . 58.0 t -122.46 112.64 35.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.222 -0.445 . . . . 75.420000000000002 111.143 179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.74 30.63 44.24 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.713 -0.756 . . . . 51.240000000000002 112.477 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.15 -178.91 21.39 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.734 -0.746 . . . . 72.329999999999998 112.506 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.877 HG13 HG23 ' B' ' 39' ' ' VAL . 5.9 p -157.88 140.01 5.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.372 . . . . 64.129999999999995 111.154 -179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.594 HG12 HG22 ' B' ' 40' ' ' VAL . 19.1 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 63.509999999999998 111.17 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 40.8 m-20 . . . . . 0 N--CA 1.458 -0.065 0 CA-C-O 120.861 0.362 . . . . 64.540000000000006 110.824 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.86 80.05 3.69 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 65.219999999999999 111.089 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -49.63 -37.15 26.93 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 60.240000000000002 110.87 -179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.42 ' CE1' ' HB3' ' G' ' 30' ' ' ALA . 0.3 OUTLIER -168.59 116.86 0.69 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.156 -0.475 . . . . 60.32 110.887 -179.878 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -112.04 108.36 17.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 71.329999999999998 110.853 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 72.6 t60 -97.75 109.51 22.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 62.420000000000002 110.873 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -117.25 101.1 8.16 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 61.240000000000002 110.851 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -148.65 175.6 11.06 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 64.409999999999997 110.848 -179.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.2 -9.62 33.61 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.693 -0.765 . . . . 74.219999999999999 112.465 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.51 114.78 0.3 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.882 0.372 . . . . 74.329999999999998 110.862 -179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -106.75 119.52 39.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.11 -0.495 . . . . 72.319999999999993 110.916 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -125.25 113.31 34.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 62.149999999999999 111.164 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 54.8 m170 -115.58 115.68 26.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 63.229999999999997 110.827 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -131.09 127.61 38.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 65.140000000000001 110.912 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.422 ' OE1' HG12 ' G' ' 39' ' ' VAL . 19.6 pt20 -125.06 134.06 52.67 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 62.240000000000002 110.921 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.527 ' O ' HD22 ' B' ' 17' ' ' LEU . 6.7 tptm -124.29 122.65 38.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.241 -0.436 . . . . 75.530000000000001 110.928 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.657 HD13 ' HB2' ' A' ' 17' ' ' LEU . 4.5 mm? -125.34 101.68 7.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.247 -0.433 . . . . 74.409999999999997 110.927 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.518 HG12 ' HB2' ' B' ' 21' ' ' ALA . 60.9 t -110.58 118.1 56.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.202 -0.453 . . . . 60.350000000000001 111.126 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.659 ' CE2' HD23 ' C' ' 34' ' ' LEU . 3.7 m-85 -113.52 134.01 54.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 71.340000000000003 110.863 -179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.504 ' HZ ' HG22 ' B' ' 31' ' ' ILE . 2.9 m-85 62.39 57.44 1.92 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 63.450000000000003 110.901 -179.871 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.518 ' HB2' HG12 ' B' ' 18' ' ' VAL . . . -94.27 107.62 19.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.151 -0.477 . . . . 74.140000000000001 111.076 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 52.8 t0 62.84 104.1 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.239 -0.437 . . . . 52.219999999999999 110.898 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.615 HG11 ' ND2' ' B' ' 27' ' ' ASN . 21.2 t -130.83 134.01 62.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.211 -0.45 . . . . 72.310000000000002 111.09 -179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.59 -41.75 83.08 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.738 -0.744 . . . . 75.230000000000004 112.484 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.58 122.61 0.09 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 75.209999999999994 110.87 -179.729 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.615 ' ND2' HG11 ' B' ' 24' ' ' VAL . 26.7 m120 -102.15 112.04 24.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 53.520000000000003 110.924 179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -112.31 165.57 12.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 73.540000000000006 110.913 179.895 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.95 -133.08 28.04 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.733 -0.746 . . . . 34.43 112.473 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.728 ' O ' HD13 ' B' ' 31' ' ' ILE . . . -97.19 119.11 35.08 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.745 0.307 . . . . 52.130000000000003 111.093 179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.728 HD13 ' O ' ' B' ' 30' ' ' ALA . 25.9 mm -130.71 129.95 64.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.232 -0.44 . . . . 74.109999999999999 111.129 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.611 HG21 ' HB2' ' B' ' 35' ' ' MET . 2.9 mp -124.7 113.22 35.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.167 -0.47 . . . . 75.129999999999995 111.118 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.8 -15.23 78.16 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.73 -0.748 . . . . 45.32 112.522 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.87 HD12 HD22 ' C' ' 34' ' ' LEU . 3.2 tm? -171.28 108.44 0.28 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 73.140000000000001 110.877 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.611 ' HB2' HG21 ' B' ' 32' ' ' ILE . 2.5 ttp -118.04 123.9 46.8 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 75.450000000000003 110.846 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.434 HG23 ' CD1' ' B' ' 34' ' ' LEU . 63.3 t -122.52 112.96 36.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.198 -0.455 . . . . 60.109999999999999 111.112 179.971 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.21 31.75 34.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 54.210000000000001 112.479 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.97 -178.79 21.49 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.712 -0.756 . . . . 35.100000000000001 112.499 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.885 HG13 HG23 ' C' ' 39' ' ' VAL . 5.1 p -157.4 138.86 5.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.953 0.406 . . . . 74.25 111.058 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.594 HG22 HG12 ' A' ' 40' ' ' VAL . 19.3 m . . . . . 0 C--N 1.33 -0.245 0 CA-C-N 116.106 -0.497 . . . . 60.340000000000003 111.129 179.88 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.836 0.35 . . . . 64.540000000000006 110.836 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.23 78.92 3.49 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 51.229999999999997 111.118 179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.52 -35.88 31.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 65.530000000000001 110.841 -179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -169.42 116.59 0.6 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 73.25 110.894 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -112.19 107.41 16.29 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 73.150000000000006 110.869 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -96.48 109.36 21.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 73.239999999999995 110.802 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -118.56 100.44 7.45 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.232 -0.44 . . . . 71.150000000000006 110.879 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -148.4 175.64 10.95 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.135 -0.484 . . . . 71.519999999999996 110.895 -179.76 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.77 -9.96 33.88 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.706 -0.759 . . . . 32.520000000000003 112.477 -179.98 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . 0.402 ' CE1' HG22 ' C' ' 12' ' ' VAL . 1.0 OUTLIER -172.49 115.0 0.3 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.795 0.331 . . . . 65.340000000000003 110.925 -179.83 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -107.29 119.67 40.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.127 -0.488 . . . . 74.349999999999994 110.912 179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.402 HG22 ' CE1' ' C' ' 10' ' ' TYR . 21.3 t -124.93 113.46 36.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.21 -0.45 . . . . 74.109999999999999 111.167 179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -115.87 114.81 25.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 64.120000000000005 110.873 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -129.8 128.22 41.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 75.219999999999999 110.847 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.507 ' OE1' HG12 ' H' ' 39' ' ' VAL . 19.4 pt20 -126.35 133.78 51.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 63.439999999999998 110.96 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.591 ' O ' HD22 ' C' ' 17' ' ' LEU . 6.4 tptm -123.71 124.06 41.9 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.182 -0.463 . . . . 62.340000000000003 110.875 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.639 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.5 mm? -127.52 102.39 6.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.188 -0.46 . . . . 73.310000000000002 110.921 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.555 ' CG1' ' HB2' ' C' ' 21' ' ' ALA . 58.0 t -111.04 119.63 60.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.179 -0.464 . . . . 73.319999999999993 111.122 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.682 ' CE2' HD23 ' D' ' 34' ' ' LEU . 3.0 m-85 -112.78 132.82 55.08 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 65.510000000000005 110.854 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.492 ' CZ ' HG22 ' C' ' 31' ' ' ILE . 3.5 m-85 60.87 59.48 2.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 53.020000000000003 110.907 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.555 ' HB2' ' CG1' ' C' ' 18' ' ' VAL . . . -94.95 107.45 19.48 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.13 -0.486 . . . . 62.409999999999997 111.082 179.97 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 52.0 t0 62.15 102.89 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.251 -0.431 . . . . 64.329999999999998 110.907 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.588 HG11 ' ND2' ' C' ' 27' ' ' ASN . 21.5 t -129.5 133.97 64.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 63.450000000000003 111.099 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.99 -42.05 86.09 Favored Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.768 -0.73 . . . . 75.430000000000007 112.493 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.54 122.48 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.906 0.384 . . . . 44.240000000000002 110.871 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.588 ' ND2' HG11 ' C' ' 24' ' ' VAL . 25.9 m120 -102.33 112.71 25.53 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.472 . . . . 72.540000000000006 110.904 -180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.401 ' O ' HD11 ' C' ' 31' ' ' ILE . 1.1 tptp -112.58 165.66 12.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 55.109999999999999 110.904 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.86 -133.56 27.28 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.714 -0.755 . . . . 64.230000000000004 112.493 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.728 ' O ' HD13 ' C' ' 31' ' ' ILE . . . -96.94 118.91 34.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.756 0.312 . . . . 44.210000000000001 111.089 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.728 HD13 ' O ' ' C' ' 30' ' ' ALA . 25.9 mm -130.45 128.82 64.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.235 -0.439 . . . . 64.310000000000002 111.104 -179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.59 HG21 ' HB2' ' C' ' 35' ' ' MET . 3.0 mp -123.92 112.12 31.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.15 -0.477 . . . . 74.519999999999996 111.172 179.828 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -82.71 -13.24 78.51 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.756 -0.735 . . . . 54.020000000000003 112.518 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.941 HD12 HD22 ' D' ' 34' ' ' LEU . 3.3 tm? -169.76 107.47 0.38 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.801 0.334 . . . . 71.319999999999993 110.89 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.59 ' HB2' HG21 ' C' ' 32' ' ' ILE . 2.5 ttp -118.66 123.26 44.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 72.319999999999993 110.851 179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.403 HG23 ' CD1' ' C' ' 34' ' ' LEU . 68.3 t -123.58 111.93 31.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.185 -0.462 . . . . 62.350000000000001 111.161 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.74 31.69 31.21 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.759 -0.734 . . . . 72.340000000000003 112.48 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.4 -178.84 21.85 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 71.510000000000005 112.489 -179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.912 HG13 HG23 ' D' ' 39' ' ' VAL . 4.4 p -156.89 139.01 5.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.877 0.37 . . . . 53.43 111.107 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.547 HG22 HG12 ' B' ' 40' ' ' VAL . 19.0 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 71.430000000000007 111.128 179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.819 0.343 . . . . 74.319999999999993 110.865 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -96.02 81.08 3.35 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.219 -0.446 . . . . 73.109999999999999 111.113 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.24 -37.27 34.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.243 -0.435 . . . . 73.450000000000003 110.892 -179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 0.4 OUTLIER -169.43 116.23 0.59 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.157 -0.474 . . . . 45.420000000000002 110.866 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -111.33 107.55 16.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.112 -0.494 . . . . 43.130000000000003 110.866 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 69.4 t60 -96.26 108.85 21.39 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.168 -0.469 . . . . 44.009999999999998 110.825 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -118.17 100.45 7.52 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.185 -0.461 . . . . 75.239999999999995 110.846 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -147.64 175.31 10.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 74.129999999999995 110.866 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.76 -10.42 35.23 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.738 -0.744 . . . . 45.119999999999997 112.505 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.56 114.69 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.816 0.341 . . . . 65.420000000000002 110.97 -179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -107.16 120.03 41.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 74.420000000000002 110.838 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.74 113.44 36.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 73.319999999999993 111.133 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 53.7 m170 -115.98 114.93 25.28 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 72.409999999999997 110.876 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -130.1 129.52 43.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.259 -0.428 . . . . 75.519999999999996 110.874 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . 0.562 ' OE1' HG12 ' I' ' 39' ' ' VAL . 19.2 pt20 -127.4 134.66 49.89 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.223 -0.444 . . . . 74.120000000000005 110.917 -179.91 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.65 ' O ' HD22 ' D' ' 17' ' ' LEU . 6.6 tptm -123.77 123.21 39.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.454 . . . . 71.120000000000005 110.915 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.65 HD22 ' O ' ' D' ' 16' ' ' LYS . 4.5 mm? -128.84 102.88 6.74 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.231 -0.44 . . . . 74.140000000000001 110.913 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.568 ' CG1' ' HB2' ' D' ' 21' ' ' ALA . 57.3 t -112.21 121.81 65.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 71.519999999999996 111.149 179.82 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.642 ' CE2' HD23 ' E' ' 34' ' ' LEU . 2.2 m-85 -112.06 132.16 55.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.151 -0.477 . . . . 74.230000000000004 110.909 -179.987 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.455 ' CZ ' HG22 ' D' ' 31' ' ' ILE . 4.0 m-85 59.75 60.86 2.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 54.119999999999997 110.904 -179.883 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . 0.568 ' HB2' ' CG1' ' D' ' 18' ' ' VAL . . . -95.54 107.3 19.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.115 -0.493 . . . . 72.340000000000003 111.113 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 51.6 t0 61.73 102.56 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 73.120000000000005 110.869 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.62 HG11 ' ND2' ' D' ' 27' ' ' ASN . 21.9 t -129.68 134.66 62.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.457 . . . . 52.109999999999999 111.167 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.3 -42.78 90.02 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 71.109999999999999 112.512 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.81 121.96 0.09 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.916 0.389 . . . . 62.520000000000003 110.834 -179.716 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.62 ' ND2' HG11 ' D' ' 24' ' ' VAL . 27.0 m120 -101.72 112.85 25.57 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.144 -0.48 . . . . 52.020000000000003 110.878 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.66 165.54 12.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.15 -0.477 . . . . 52.329999999999998 110.924 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.33 -132.72 29.82 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.719 -0.753 . . . . 60.539999999999999 112.447 179.894 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.737 ' O ' HD13 ' D' ' 31' ' ' ILE . . . -97.93 118.42 34.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.768 0.318 . . . . 65.409999999999997 111.048 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.737 HD13 ' O ' ' D' ' 30' ' ' ALA . 25.2 mm -130.63 128.41 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.208 -0.451 . . . . 65.140000000000001 111.142 179.927 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.557 HG21 ' HB2' ' D' ' 35' ' ' MET . 3.0 mp -124.1 112.08 31.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.191 -0.458 . . . . 63.450000000000003 111.127 179.86 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.52 -11.84 76.75 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.727 -0.749 . . . . 64.209999999999994 112.506 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.941 HD22 HD12 ' C' ' 34' ' ' LEU . 3.4 tm? -168.06 106.8 0.51 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.847 0.356 . . . . 64.140000000000001 110.919 -179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.557 ' HB2' HG21 ' D' ' 32' ' ' ILE . 2.5 ttp -120.02 122.65 41.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.157 -0.474 . . . . 72.310000000000002 110.898 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 67.8 t -124.78 111.65 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.27 -0.423 . . . . 72.450000000000003 111.14 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.92 31.47 32.11 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.775 -0.726 . . . . 52.450000000000003 112.433 179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.63 -178.23 21.74 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.733 -0.746 . . . . 60.229999999999997 112.481 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.912 HG23 HG13 ' C' ' 39' ' ' VAL . 4.5 p -157.21 139.57 6.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.854 0.359 . . . . 61.420000000000002 111.168 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.523 HG22 HG12 ' C' ' 40' ' ' VAL . 19.2 m . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 63.130000000000003 111.145 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.84 0.352 . . . . 44.119999999999997 110.866 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.48 80.13 3.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 42.039999999999999 111.118 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.16 -39.29 56.02 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.248 -0.433 . . . . 73.109999999999999 110.863 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -168.67 117.65 0.71 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 72.219999999999999 110.867 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -110.85 107.83 17.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.148 -0.478 . . . . 75.430000000000007 110.887 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 65.6 t60 -94.52 109.12 21.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.19 -0.459 . . . . 65.420000000000002 110.832 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -118.02 99.83 7.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.165 -0.47 . . . . 73.25 110.859 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -149.08 173.58 13.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.182 -0.463 . . . . 55.210000000000001 110.9 -179.761 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.67 -9.29 38.27 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 75.120000000000005 112.482 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.23 113.37 0.3 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.83 0.348 . . . . 54.039999999999999 110.934 -179.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -107.81 120.36 42.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.159 -0.473 . . . . 75.150000000000006 110.886 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 21.5 t -124.7 114.28 39.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.126 -0.488 . . . . 61.140000000000001 111.145 179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 57.4 m170 -116.18 114.07 23.93 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.154 -0.476 . . . . 62.32 110.85 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -129.12 131.33 47.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.447 . . . . 73.329999999999998 110.835 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.508 ' OE1' HG12 ' J' ' 39' ' ' VAL . 19.6 pt20 -129.54 136.22 49.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 74.340000000000003 110.899 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . 0.664 ' O ' HD22 ' E' ' 17' ' ' LEU . 6.8 tptm -123.99 122.76 38.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.22 -0.446 . . . . 61.130000000000003 110.952 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.664 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.4 mm? -129.46 102.17 6.28 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.236 -0.438 . . . . 73.129999999999995 110.921 179.929 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.696 ' CG1' ' HB2' ' E' ' 21' ' ' ALA . 59.0 t -110.42 122.5 65.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 61.530000000000001 111.143 179.837 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.444 ' HE1' HD12 ' E' ' 17' ' ' LEU . 2.1 m-85 -111.45 129.85 55.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 65.409999999999997 110.903 180.0 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 5.4 m-85 58.77 60.53 2.47 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.484 . . . . 64.439999999999998 110.832 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . 0.696 ' HB2' ' CG1' ' E' ' 18' ' ' VAL . . . -94.93 107.5 19.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.138 -0.483 . . . . 73.25 111.1 179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 52.4 t0 61.52 104.07 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.192 -0.458 . . . . 71.319999999999993 110.851 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.619 HG11 ' ND2' ' E' ' 27' ' ' ASN . 22.0 t -130.84 134.2 62.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 64.209999999999994 111.129 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -67.16 -43.02 90.91 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.733 -0.746 . . . . 72.409999999999997 112.516 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.99 121.74 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.876 0.37 . . . . 71.430000000000007 110.832 -179.756 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.619 ' ND2' HG11 ' E' ' 24' ' ' VAL . 26.9 m120 -101.54 114.28 28.17 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.138 -0.483 . . . . 75.549999999999997 110.873 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -113.51 164.32 13.79 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.152 -0.476 . . . . 73.450000000000003 110.92 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.04 -131.75 28.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.76 -0.733 . . . . 75.129999999999995 112.49 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.732 ' O ' HD13 ' E' ' 31' ' ' ILE . . . -97.86 118.4 34.34 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.746 0.308 . . . . 60.539999999999999 111.094 179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.732 HD13 ' O ' ' E' ' 30' ' ' ALA . 27.6 mm -130.88 127.04 60.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.259 -0.428 . . . . 64.219999999999999 111.146 -179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.489 HG21 ' HB2' ' E' ' 35' ' ' MET . 3.1 mp -125.07 111.96 29.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.186 -0.461 . . . . 64.409999999999997 111.166 179.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.31 -10.21 71.48 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.718 -0.753 . . . . 74.209999999999994 112.477 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.909 HD22 HD12 ' D' ' 34' ' ' LEU . 3.4 tm? -164.82 105.81 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 74.140000000000001 110.883 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.489 ' HB2' HG21 ' E' ' 32' ' ' ILE . 2.4 ttp -122.33 123.11 40.62 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 74.239999999999995 110.904 179.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 72.4 t -127.35 111.31 24.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 53.219999999999999 111.161 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.52 30.96 35.47 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.765 -0.731 . . . . 53.119999999999997 112.47 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.24 -178.41 21.98 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.716 -0.754 . . . . 31.399999999999999 112.477 -179.91 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.911 HG23 HG13 ' D' ' 39' ' ' VAL . 5.4 p -157.0 138.95 5.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.869 0.366 . . . . 64.239999999999995 111.145 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.481 HG22 HG12 ' D' ' 40' ' ' VAL . 19.4 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 75.329999999999998 111.106 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 41.5 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.849 0.356 . . . . 54.450000000000003 110.852 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -89.64 72.06 7.79 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.19 -0.459 . . . . 64.450000000000003 111.043 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.83 -43.12 63.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 72.109999999999999 110.895 -179.975 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -167.58 115.58 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 74.340000000000003 110.865 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -116.19 111.49 20.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 72.25 110.85 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 61.4 t60 -97.37 110.23 22.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 71.239999999999995 110.89 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -115.7 103.84 11.09 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.192 -0.458 . . . . 74.530000000000001 110.885 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -149.23 175.11 11.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.157 -0.474 . . . . 65.230000000000004 110.83 -179.728 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.28 -10.42 31.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.76 -0.733 . . . . 52.130000000000003 112.446 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.32 114.49 0.31 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.844 0.354 . . . . 61.240000000000002 110.926 -179.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -107.28 120.08 41.16 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.103 -0.498 . . . . 52.329999999999998 110.871 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 21.2 t -126.7 113.45 33.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.118 -0.492 . . . . 65.549999999999997 111.112 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 53.8 m170 -115.43 117.52 30.62 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 73.430000000000007 110.893 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -131.82 126.62 34.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.227 -0.442 . . . . 63.539999999999999 110.862 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -124.63 133.63 53.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 33.240000000000002 110.923 -179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . 0.453 ' O ' HD22 ' F' ' 17' ' ' LEU . 6.9 tptm -124.82 120.21 31.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 73.349999999999994 110.899 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.593 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.4 mm? -122.85 101.67 7.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.465 . . . . 71.430000000000007 110.925 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.512 HG12 ' HB2' ' F' ' 21' ' ' ALA . 63.4 t -112.7 117.95 56.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 73.439999999999998 111.095 179.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.6 ' CE2' HD23 ' G' ' 34' ' ' LEU . 4.8 m-85 -112.34 138.69 48.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.129 -0.487 . . . . 52.240000000000002 110.895 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . 0.422 ' HZ ' HG22 ' F' ' 31' ' ' ILE . 1.6 m-85 63.05 52.57 2.52 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.187 -0.461 . . . . 72.530000000000001 110.837 -179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . 0.512 ' HB2' HG12 ' F' ' 18' ' ' VAL . . . -92.94 110.89 22.35 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 52.450000000000003 111.056 179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 51.1 t0 63.18 102.53 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 75.140000000000001 110.896 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.6 HG11 ' ND2' ' F' ' 27' ' ' ASN . 31.0 t -131.34 130.67 63.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.152 -0.477 . . . . 54.43 111.111 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.39 -40.52 94.54 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.763 -0.732 . . . . 31.219999999999999 112.503 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.56 122.52 0.07 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.906 0.384 . . . . 64.120000000000005 110.856 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . 0.6 ' ND2' HG11 ' F' ' 24' ' ' VAL . 25.2 m120 -99.06 110.05 22.69 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 65.310000000000002 110.884 -179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . 0.417 ' O ' HD11 ' F' ' 31' ' ' ILE . 0.9 OUTLIER -112.87 163.92 14.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 63.240000000000002 110.871 179.929 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . 0.404 ' HA2' ' CB ' ' A' ' 3' ' ' GLU . . . 50.17 -139.69 19.35 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.681 -0.771 . . . . 53.32 112.523 179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.681 ' O ' HD13 ' F' ' 31' ' ' ILE . . . -91.28 118.48 30.53 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.764 0.316 . . . . 72.439999999999998 111.07 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.681 HD13 ' O ' ' F' ' 30' ' ' ALA . 26.1 mm -130.53 136.06 59.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.255 -0.43 . . . . 75.319999999999993 111.154 179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.623 HG21 ' HB2' ' F' ' 35' ' ' MET . 2.9 mp -126.59 112.75 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.189 -0.46 . . . . 75.409999999999997 111.082 179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -75.35 -20.54 78.75 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.735 -0.745 . . . . 52.329999999999998 112.47 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.643 HD12 HD22 ' G' ' 34' ' ' LEU . 3.0 tm? -172.11 113.01 0.3 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.819 0.342 . . . . 73.430000000000007 110.864 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . 0.623 ' HB2' HG21 ' F' ' 32' ' ' ILE . 2.8 ttp -119.1 123.82 45.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 65.450000000000003 110.897 179.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.545 HG23 ' CD1' ' F' ' 34' ' ' LEU . 58.1 t -122.18 114.2 41.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 73.540000000000006 111.155 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.06 30.23 37.65 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 60.310000000000002 112.461 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.74 -178.13 21.67 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.767 -0.73 . . . . 53.049999999999997 112.514 -179.917 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.845 HG13 HG23 ' G' ' 39' ' ' VAL . 5.3 p -157.64 140.41 6.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.853 0.358 . . . . 75.25 111.113 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.445 HG12 HG22 ' G' ' 40' ' ' VAL . 18.8 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.234 -0.439 . . . . 71.430000000000007 111.104 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.789 0.328 . . . . 74.140000000000001 110.881 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -88.33 72.3 8.99 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 54.340000000000003 111.1 179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -50.46 -40.41 50.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 60.32 110.897 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.29 115.1 0.68 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.153 -0.476 . . . . 73.439999999999998 110.909 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -116.53 110.85 19.11 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 75.409999999999997 110.848 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 67.6 t60 -95.94 109.33 21.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 74.109999999999999 110.835 -179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -115.31 102.11 9.56 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.229 -0.441 . . . . 71.129999999999995 110.877 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -147.85 174.63 11.66 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 60.420000000000002 110.864 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.74 -10.58 32.56 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.745 -0.741 . . . . 60.43 112.481 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.5 114.4 0.29 Allowed 'General case' 0 C--N 1.327 -0.371 0 CA-C-O 120.852 0.358 . . . . 71.239999999999995 110.9 -179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -106.9 119.86 40.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.107 -0.497 . . . . 73.409999999999997 110.884 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -125.67 113.47 34.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 74.219999999999999 111.115 179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 55.0 m170 -115.89 117.79 31.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.144 -0.48 . . . . 60.43 110.856 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -131.61 127.7 37.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.177 -0.465 . . . . 75.319999999999993 110.895 179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . 0.46 ' OE1' HG12 ' B' ' 39' ' ' VAL . 19.2 pt20 -125.94 133.22 51.92 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 74.319999999999993 110.896 -179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . 0.561 ' O ' HD22 ' G' ' 17' ' ' LEU . 6.8 tptm -124.51 122.73 38.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 61.229999999999997 110.886 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.593 HD13 ' HB2' ' F' ' 17' ' ' LEU . 4.5 mm? -125.95 102.38 7.24 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 72.409999999999997 110.937 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.556 ' CG1' ' HB2' ' G' ' 21' ' ' ALA . 57.6 t -112.19 118.92 58.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 74.349999999999994 111.117 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.633 ' CE2' HD23 ' H' ' 34' ' ' LEU . 3.7 m-85 -112.78 134.02 54.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.128 -0.487 . . . . 72.120000000000005 110.87 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 0.454 ' HZ ' HG22 ' G' ' 31' ' ' ILE . 2.6 m-85 63.04 55.13 2.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.112 -0.495 . . . . 74.530000000000001 110.866 -179.915 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . 0.556 ' HB2' ' CG1' ' G' ' 18' ' ' VAL . . . -92.59 108.45 19.98 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 75.230000000000004 111.057 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 52.5 t0 62.54 103.97 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 62.420000000000002 110.888 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.616 HG11 ' ND2' ' G' ' 27' ' ' ASN . 22.0 t -130.61 132.38 64.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 64.340000000000003 111.12 -179.996 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -66.32 -41.79 94.39 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.779 -0.724 . . . . 24.420000000000002 112.512 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.52 121.28 0.07 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.371 . . . . 44.119999999999997 110.849 -179.767 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . 0.616 ' ND2' HG11 ' G' ' 24' ' ' VAL . 26.2 m120 -99.9 111.15 23.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 75.109999999999999 110.887 -179.949 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . 0.415 ' O ' HD11 ' G' ' 31' ' ' ILE . 1.0 OUTLIER -111.86 164.33 13.21 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.173 -0.467 . . . . 73.530000000000001 110.91 179.932 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.43 -137.58 24.96 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.723 -0.751 . . . . 40.310000000000002 112.505 179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.74 ' O ' HD13 ' G' ' 31' ' ' ILE . . . -93.32 120.39 33.54 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.79 0.328 . . . . 64.519999999999996 111.096 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.74 HD13 ' O ' ' G' ' 30' ' ' ALA . 25.4 mm -131.76 134.39 60.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 75.329999999999998 111.149 179.934 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.614 HG21 ' HB2' ' G' ' 35' ' ' MET . 2.8 mp -124.28 112.67 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 74.310000000000002 111.158 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.22 -18.92 73.24 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.698 -0.763 . . . . 63.229999999999997 112.536 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.865 HD12 HD22 ' H' ' 34' ' ' LEU . 3.3 tm? -171.19 112.25 0.36 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.801 0.334 . . . . 73.510000000000005 110.905 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.614 ' HB2' HG21 ' G' ' 32' ' ' ILE . 2.5 ttp -119.89 123.33 43.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.206 -0.452 . . . . 74.510000000000005 110.832 179.838 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.506 HG23 ' CD1' ' G' ' 34' ' ' LEU . 64.2 t -122.83 113.54 38.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 41.119999999999997 111.102 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.72 30.75 29.07 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.733 -0.746 . . . . 40.140000000000001 112.476 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.94 -178.28 21.54 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 61.149999999999999 112.487 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.904 HG13 HG23 ' H' ' 39' ' ' VAL . 4.3 p -157.1 140.36 6.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.857 0.361 . . . . 75.140000000000001 111.151 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.471 HG12 HG22 ' H' ' 40' ' ' VAL . 18.3 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 74.209999999999994 111.168 179.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 1' ' ' ASP . . . . . 0.402 ' O ' ' HB3' ' I' ' 2' ' ' ALA . 41.2 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.81 0.338 . . . . 72.209999999999994 110.864 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -87.81 71.62 9.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 63.420000000000002 111.134 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.51 -41.22 53.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 75.239999999999995 110.887 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.59 114.88 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 63.509999999999998 110.887 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 12.6 mmt180 -116.53 110.42 18.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.128 -0.487 . . . . 74.340000000000003 110.842 -179.875 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 66.0 t60 -94.7 109.5 21.43 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 74.340000000000003 110.853 -179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -116.12 101.82 9.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.184 -0.462 . . . . 64.420000000000002 110.852 -179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -147.2 174.84 11.23 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 71.510000000000005 110.851 -179.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.06 -10.18 32.69 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 60.340000000000003 112.489 -179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.36 113.8 0.3 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.825 0.345 . . . . 74.310000000000002 110.959 -179.821 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 2.9 tt0 -106.98 119.84 40.44 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.136 -0.484 . . . . 65.530000000000001 110.909 -179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -125.03 113.56 36.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.147 -0.478 . . . . 73.219999999999999 111.139 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -116.15 116.74 28.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 73.239999999999995 110.856 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 9.7 m-70 -130.77 127.85 39.56 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 71.239999999999995 110.845 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . 0.612 ' OE1' HG12 ' C' ' 39' ' ' VAL . 19.4 pt20 -127.15 133.05 50.4 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 75.409999999999997 110.912 -179.919 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . 0.617 ' O ' HD22 ' H' ' 17' ' ' LEU . 6.7 tptm -123.91 123.69 40.97 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.215 -0.448 . . . . 71.420000000000002 110.935 179.977 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.617 HD22 ' O ' ' H' ' 16' ' ' LYS . 4.5 mm? -127.53 103.21 7.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.267 -0.424 . . . . 75.439999999999998 110.914 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.607 ' CG1' ' HB2' ' H' ' 21' ' ' ALA . 57.6 t -112.99 121.33 65.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 71.439999999999998 111.148 179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.677 ' CE2' HD23 ' I' ' 34' ' ' LEU . 3.0 m-85 -112.91 132.81 55.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.184 -0.462 . . . . 75.209999999999994 110.882 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . 0.461 ' HZ ' HG22 ' H' ' 31' ' ' ILE . 3.6 m-85 61.61 56.58 2.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.181 -0.463 . . . . 72.450000000000003 110.888 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . 0.607 ' HB2' ' CG1' ' H' ' 18' ' ' VAL . . . -93.02 107.97 19.64 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.173 -0.467 . . . . 75.510000000000005 111.119 179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 52.0 t0 62.1 103.08 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 61.210000000000001 110.887 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.625 HG11 ' ND2' ' H' ' 27' ' ' ASN . 22.7 t -130.38 133.17 64.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 51.539999999999999 111.129 -179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.18 -41.94 96.66 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.738 -0.744 . . . . 71.430000000000007 112.504 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.65 121.54 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.91 0.385 . . . . 61.219999999999999 110.872 -179.782 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . 0.625 ' ND2' HG11 ' H' ' 24' ' ' VAL . 27.0 m120 -99.94 111.13 23.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 75.230000000000004 110.898 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . 0.415 ' O ' HD11 ' H' ' 31' ' ' ILE . 1.0 OUTLIER -111.82 164.05 13.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 64.129999999999995 110.897 179.908 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.97 -138.06 26.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 63.109999999999999 112.447 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . 0.736 ' O ' HD13 ' H' ' 31' ' ' ILE . . . -92.85 119.65 32.4 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.804 0.335 . . . . 71.25 111.063 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.736 HD13 ' O ' ' H' ' 30' ' ' ALA . 25.8 mm -131.53 133.33 61.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 54.109999999999999 111.098 179.99 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . 0.599 HG21 ' HB2' ' H' ' 35' ' ' MET . 2.8 mp -123.04 111.94 31.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 71.549999999999997 111.105 179.875 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.75 -16.1 73.8 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.753 -0.737 . . . . 61.149999999999999 112.483 179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.953 HD12 HD22 ' I' ' 34' ' ' LEU . 3.3 tm? -170.74 110.76 0.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.832 0.349 . . . . 40.130000000000003 110.897 -179.9 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . 0.599 ' HB2' HG21 ' H' ' 32' ' ' ILE . 2.5 ttp -119.86 122.93 42.4 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 72.230000000000004 110.856 179.831 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.461 HG23 ' CD1' ' H' ' 34' ' ' LEU . 66.1 t -124.13 112.39 32.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.223 -0.444 . . . . 65.209999999999994 111.134 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.45 30.13 25.51 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.753 -0.737 . . . . 53.219999999999999 112.476 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.54 -178.09 22.45 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.724 -0.75 . . . . 71.120000000000005 112.499 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.914 HG13 HG23 ' I' ' 39' ' ' VAL . 4.1 p -157.4 139.17 5.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.87 0.367 . . . . 74.140000000000001 111.135 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . 0.566 HG12 HG22 ' I' ' 40' ' ' VAL . 18.8 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 71.420000000000002 111.112 179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.85 0.357 . . . . 61.130000000000003 110.871 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' I' I ' 2' ' ' ALA . . . . . 0.402 ' HB3' ' O ' ' H' ' 1' ' ' ASP . . . -90.13 72.49 7.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.17 -0.468 . . . . 55.229999999999997 111.063 179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -51.2 -42.27 60.79 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.23 -0.441 . . . . 74.239999999999995 110.917 -179.957 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.69 115.13 0.63 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 72.409999999999997 110.832 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 12.7 mmt180 -116.23 109.52 17.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 64.430000000000007 110.858 -179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -93.25 109.1 20.63 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.234 -0.439 . . . . 64.430000000000007 110.821 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -116.1 102.0 9.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 62.149999999999999 110.856 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 1.7 m -146.96 174.51 11.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.152 -0.477 . . . . 52.329999999999998 110.83 -179.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.67 -10.3 33.36 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.69 -0.767 . . . . 44.530000000000001 112.438 -179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.42 113.52 0.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.834 0.35 . . . . 72.25 110.913 -179.802 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 3.1 tt0 -106.8 120.06 41.0 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.101 -0.499 . . . . 54.229999999999997 110.914 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 21.4 t -124.51 113.32 35.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.168 -0.469 . . . . 72.25 111.136 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 54.5 m170 -116.13 117.26 29.57 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 63.240000000000002 110.831 179.935 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -132.09 128.41 38.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.238 -0.437 . . . . 60.119999999999997 110.89 179.982 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . 0.57 ' OE1' HG12 ' D' ' 39' ' ' VAL . 19.1 pt20 -127.91 134.17 49.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 71.450000000000003 110.911 -179.905 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . 0.662 ' O ' HD22 ' I' ' 17' ' ' LEU . 6.7 tptm -124.0 123.64 40.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 74.209999999999994 110.865 179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.662 HD22 ' O ' ' I' ' 16' ' ' LYS . 4.4 mm? -128.98 103.37 6.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.23 -0.441 . . . . 73.140000000000001 110.884 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . 0.639 ' CG1' ' HB2' ' I' ' 21' ' ' ALA . 58.1 t -113.21 122.56 67.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 62.32 111.128 179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . 0.657 ' CE2' HD23 ' J' ' 34' ' ' LEU . 2.4 m-85 -111.35 131.98 54.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 65.219999999999999 110.877 -179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . 0.428 ' HZ ' HG22 ' I' ' 31' ' ' ILE . 4.3 m-85 60.08 58.03 2.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 54.149999999999999 110.897 -179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . 0.639 ' HB2' ' CG1' ' I' ' 18' ' ' VAL . . . -93.22 107.97 19.68 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.117 -0.492 . . . . 65.140000000000001 111.098 179.935 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 52.3 t0 61.83 103.41 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.211 -0.45 . . . . 73.230000000000004 110.843 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.6 HG11 ' ND2' ' I' ' 27' ' ' ASN . 21.9 t -130.9 133.79 62.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 73.239999999999995 111.1 179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.78 -41.85 95.46 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 60.420000000000002 112.476 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER 179.55 121.27 0.06 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.907 0.384 . . . . 61.240000000000002 110.861 -179.713 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . 0.6 ' ND2' HG11 ' I' ' 24' ' ' VAL . 26.2 m120 -101.26 111.72 24.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.137 -0.483 . . . . 51.310000000000002 110.923 -179.981 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . 0.408 ' O ' HD11 ' I' ' 31' ' ' ILE . 1.0 OUTLIER -112.65 164.33 13.47 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 52.009999999999998 110.902 179.918 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.76 -137.72 30.93 Favored Glycine 0 N--CA 1.452 -0.258 0 C-N-CA 120.701 -0.762 . . . . 61.32 112.479 179.907 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.739 ' O ' HD13 ' I' ' 31' ' ' ILE . . . -93.37 119.12 32.12 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.753 0.311 . . . . 71.319999999999993 111.127 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.739 HD13 ' O ' ' I' ' 30' ' ' ALA . 24.6 mm -131.74 132.97 61.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 63.219999999999999 111.103 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . 0.585 HG21 ' HB2' ' I' ' 35' ' ' MET . 2.8 mp -124.12 112.24 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 73.150000000000006 111.116 179.832 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.58 -14.25 71.1 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 71.540000000000006 112.463 179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.953 HD22 HD12 ' H' ' 34' ' ' LEU . 3.5 tm? -168.58 108.49 0.5 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.793 0.33 . . . . 74.329999999999998 110.926 -179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . 0.585 ' HB2' HG21 ' I' ' 32' ' ' ILE . 2.3 ttp -119.97 121.73 39.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.201 -0.454 . . . . 60.109999999999999 110.891 179.829 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 72.5 t -126.07 114.29 38.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.243 -0.435 . . . . 75.430000000000007 111.124 179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.69 30.08 20.04 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.759 -0.734 . . . . 72.430000000000007 112.455 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.06 -178.44 22.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.733 -0.746 . . . . 62.409999999999997 112.48 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 0.927 HG13 HG23 ' J' ' 39' ' ' VAL . 4.1 p -157.45 138.0 4.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.862 0.363 . . . . 53.140000000000001 111.148 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . 0.566 HG22 HG12 ' H' ' 40' ' ' VAL . 18.8 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 71.219999999999999 111.098 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.826 0.346 . . . . 40.509999999999998 110.873 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -90.74 77.05 6.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.462 . . . . 73.140000000000001 111.117 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -50.35 -45.47 55.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 61.229999999999997 110.875 -179.893 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -164.89 115.59 1.15 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.149 -0.478 . . . . 74.519999999999996 110.906 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 12.8 mmt180 -113.24 109.7 19.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.159 -0.473 . . . . 62.329999999999998 110.874 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -94.09 109.01 20.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 61.25 110.868 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 1.4 t70 -116.18 102.03 9.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.437 . . . . 34.299999999999997 110.849 179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 1.6 m -147.33 172.1 14.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 52.350000000000001 110.816 -179.751 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.77 -9.65 37.11 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.699 -0.762 . . . . 40.109999999999999 112.486 179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . 0.409 ' HE1' HG22 ' J' ' 12' ' ' VAL . 1.0 OUTLIER -171.7 111.54 0.31 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 71.430000000000007 110.894 -179.811 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 3.2 tt0 -106.75 120.26 41.51 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.096 -0.502 . . . . 72.540000000000006 110.911 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.409 HG22 ' HE1' ' J' ' 10' ' ' TYR . 21.2 t -124.57 113.99 38.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.17 -0.468 . . . . 60.329999999999998 111.14 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 53.9 m170 -115.99 116.94 28.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 71.129999999999995 110.848 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 9.8 m-70 -131.41 129.04 40.75 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 73.329999999999998 110.891 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . 0.501 ' OE1' HG12 ' E' ' 39' ' ' VAL . 19.2 pt20 -127.48 135.46 50.42 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 64.409999999999997 110.91 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . 0.666 ' O ' HD22 ' J' ' 17' ' ' LEU . 6.7 tptm -124.38 121.54 35.22 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.214 -0.448 . . . . 52.539999999999999 110.872 179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.666 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.4 mm? -129.5 102.62 6.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.448 . . . . 75.310000000000002 110.874 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.742 ' CG1' ' HB2' ' J' ' 21' ' ' ALA . 54.7 t -111.58 123.03 67.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 55.439999999999998 111.159 179.844 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.454 ' HE1' HD12 ' J' ' 17' ' ' LEU . 2.3 m-85 -110.37 128.81 55.75 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.21 -0.45 . . . . 60.43 110.899 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 59.88 59.11 2.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 71.140000000000001 110.875 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . 0.742 ' HB2' ' CG1' ' J' ' 18' ' ' VAL . . . -94.17 108.39 20.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.155 -0.475 . . . . 35.420000000000002 111.091 179.909 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 53.1 t0 61.84 104.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.225 -0.443 . . . . 73.530000000000001 110.86 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.574 HG11 ' ND2' ' J' ' 27' ' ' ASN . 23.9 t -131.49 133.09 62.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.149 -0.478 . . . . 73.239999999999995 111.136 179.991 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.86 -42.05 95.2 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.777 -0.725 . . . . 55.020000000000003 112.492 179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.81 120.9 0.06 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.86 0.362 . . . . 55.119999999999997 110.88 -179.779 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . 0.574 ' ND2' HG11 ' J' ' 24' ' ' VAL . 25.2 m120 -101.82 111.45 23.72 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 64.25 110.89 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -113.24 163.07 15.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.22 -0.445 . . . . 72.450000000000003 110.899 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.71 -136.17 37.34 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.736 -0.745 . . . . 53.039999999999999 112.496 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 0.737 ' O ' HD13 ' J' ' 31' ' ' ILE . . . -94.97 118.14 31.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.77 0.319 . . . . 13.039999999999999 111.086 -179.995 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.737 HD13 ' O ' ' J' ' 30' ' ' ALA . 23.9 mm -131.72 130.94 62.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 62.350000000000001 111.118 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . 0.507 HG21 ' HB2' ' J' ' 35' ' ' MET . 2.8 mp -124.79 112.35 31.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 64.450000000000003 111.133 179.857 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.91 -10.95 68.59 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.768 -0.729 . . . . 71.109999999999999 112.486 179.904 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.914 HD22 HD12 ' I' ' 34' ' ' LEU . 3.4 tm? -165.88 106.82 0.72 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.798 0.333 . . . . 74.230000000000004 110.921 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . 0.507 ' HB2' HG21 ' J' ' 32' ' ' ILE . 2.3 ttp -121.88 121.94 38.28 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 73.319999999999993 110.889 179.817 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 75.0 t -128.54 114.43 33.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.261 -0.427 . . . . 75.140000000000001 111.146 179.954 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.75 29.71 19.52 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.723 -0.751 . . . . 43.350000000000001 112.514 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.22 -178.57 21.98 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.759 . . . . 73.109999999999999 112.488 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.927 HG23 HG13 ' I' ' 39' ' ' VAL . 5.4 p -157.63 139.3 5.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.853 0.358 . . . . 73.519999999999996 111.113 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.518 HG22 HG12 ' I' ' 40' ' ' VAL . 19.3 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.145 -0.48 . . . . 75.540000000000006 111.1 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.782 0.325 . . . . 73.109999999999999 110.863 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.04 104.67 1.45 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 75.530000000000001 111.072 179.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.403 ' CA ' ' HA2' ' F' ' 29' ' ' GLY . 1.8 mp0 -55.26 -39.06 69.36 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.197 -0.456 . . . . 74.299999999999997 110.899 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.566 ' CE2' ' HB2' ' F' ' 30' ' ' ALA . 0.1 OUTLIER -149.77 114.42 5.29 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.141 -0.482 . . . . 72.219999999999999 110.833 -179.93 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -133.13 108.81 9.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.129 -0.487 . . . . 75.150000000000006 110.861 -179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 78.4 t60 -105.31 111.94 24.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 72.409999999999997 110.817 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -113.16 101.46 9.45 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 74.510000000000005 110.862 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.1 t -150.26 175.6 11.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 61.140000000000001 110.865 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.34 -7.32 40.43 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.772 -0.728 . . . . 74.340000000000003 112.436 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.1 116.28 0.36 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.838 0.351 . . . . 75.129999999999995 110.914 -179.769 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -102.46 119.74 39.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.099 -0.5 . . . . 73.430000000000007 110.91 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 98.2 t -133.09 114.31 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 63.420000000000002 111.147 179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 40.5 m170 -123.16 116.9 24.21 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.468 . . . . 74.329999999999998 110.852 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -126.4 125.21 41.81 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.158 -0.473 . . . . 75.430000000000007 110.849 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -118.13 132.82 56.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.45 . . . . 72.0 110.908 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.516 ' O ' HD22 ' A' ' 17' ' ' LEU . 12.4 tptm -129.2 115.52 17.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 72.230000000000004 110.872 179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.596 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.5 mm? -124.79 111.27 15.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 64.439999999999998 110.906 179.925 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.697 HG12 ' HB2' ' A' ' 21' ' ' ALA . 12.2 t -117.31 113.78 43.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.166 -0.47 . . . . 74.019999999999996 111.16 179.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.691 ' CE2' HD23 ' B' ' 34' ' ' LEU . 3.3 m-85 -103.7 131.83 50.51 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 75.120000000000005 110.917 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.541 ' CZ ' HG22 ' A' ' 31' ' ' ILE . 5.4 m-85 61.47 53.36 3.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 74.209999999999994 110.862 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.697 ' HB2' HG12 ' A' ' 18' ' ' VAL . . . -91.65 114.13 26.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.166 -0.47 . . . . 50.140000000000001 111.153 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 59.1 95.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.239 -0.437 . . . . 72.209999999999994 110.881 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.693 ' CG1' HG23 ' B' ' 24' ' ' VAL . 5.6 p -135.28 135.02 52.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 24.420000000000002 111.126 -179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.71 -55.52 20.07 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.718 -0.753 . . . . 74.510000000000005 112.482 180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.7 m -169.33 130.02 1.09 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.868 0.366 . . . . 74.329999999999998 110.883 -179.721 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 53.1 m-20 -97.71 102.01 13.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.129 -0.487 . . . . 73.209999999999994 110.86 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 tptp -113.98 166.05 11.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 65.200000000000003 110.926 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.29 -135.54 36.33 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.733 -0.746 . . . . 70.340000000000003 112.494 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.578 ' HB2' ' CE2' ' F' ' 4' ' ' PHE . . . -95.75 114.11 25.81 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.801 0.334 . . . . 41.340000000000003 111.1 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.541 HG22 ' CZ ' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -127.97 123.78 61.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.207 -0.451 . . . . 75.340000000000003 111.101 179.984 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 26.5 mt -114.65 111.22 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 73.420000000000002 111.16 179.85 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.94 -35.37 21.8 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.738 -0.744 . . . . 64.510000000000005 112.495 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.696 HD12 ' CD2' ' B' ' 34' ' ' LEU . 2.6 tm? -164.63 107.68 0.89 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.825 0.345 . . . . 74.299999999999997 110.943 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 46.0 ttm -122.5 125.5 45.89 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.219 -0.446 . . . . 62.409999999999997 110.856 179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.728 HG11 HG21 ' F' ' 36' ' ' VAL . 65.9 t -119.66 119.4 60.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.224 -0.444 . . . . 63.109999999999999 111.159 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.3 27.07 23.29 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.759 -0.734 . . . . 61.32 112.495 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.67 175.41 24.36 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.747 -0.739 . . . . 71.5 112.558 -179.965 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.91 HG13 HG23 ' B' ' 39' ' ' VAL . 5.6 p -152.56 143.83 15.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.848 0.356 . . . . 72.109999999999999 111.127 -179.948 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 73.0 111.062 179.941 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.859 0.361 . . . . 64.420000000000002 110.931 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.84 105.37 1.58 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 72.219999999999999 111.108 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -55.11 -38.34 68.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 75.140000000000001 110.875 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' G' ' 30' ' ' ALA . 0.1 OUTLIER -150.46 114.25 5.01 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 75.400000000000006 110.946 -179.956 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -130.31 108.81 10.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.169 -0.469 . . . . 71.450000000000003 110.879 -179.903 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 71.9 t60 -105.58 111.36 24.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 42.530000000000001 110.893 179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -113.88 100.96 8.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.155 -0.475 . . . . 62.32 110.867 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 19.9 t -149.75 175.72 11.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 64.540000000000006 110.845 -179.744 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.1 -8.14 39.51 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.79 -0.719 . . . . 71.230000000000004 112.487 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.4 115.28 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.884 0.373 . . . . 61.520000000000003 110.908 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -101.4 119.89 39.45 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.089 -0.505 . . . . 74.310000000000002 110.88 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.4 t -131.65 114.44 25.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.162 -0.472 . . . . 53.149999999999999 111.182 179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 42.1 m170 -124.03 117.52 24.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 74.120000000000005 110.808 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -126.56 127.38 45.19 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.184 -0.462 . . . . 75.349999999999994 110.89 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -118.36 132.99 56.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.245 -0.434 . . . . 75.040000000000006 110.911 -179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.544 ' O ' HD22 ' B' ' 17' ' ' LEU . 12.6 tptm -126.46 116.31 20.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 62.399999999999999 110.913 179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.621 ' HB2' HD13 ' C' ' 17' ' ' LEU . 4.5 mm? -125.29 110.65 14.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.219 -0.446 . . . . 70.030000000000001 110.901 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.723 HG12 ' HB2' ' B' ' 21' ' ' ALA . 7.5 t -117.58 114.87 46.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 72.150000000000006 111.115 179.827 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.701 ' CE2' HD23 ' C' ' 34' ' ' LEU . 2.4 m-85 -105.96 129.61 54.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 62.020000000000003 110.874 179.997 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.515 ' CZ ' HG22 ' B' ' 31' ' ' ILE . 6.2 m-85 61.25 54.24 3.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 75.230000000000004 110.893 -179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.723 ' HB2' HG12 ' B' ' 18' ' ' VAL . . . -91.36 114.65 27.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.157 -0.474 . . . . 71.209999999999994 111.117 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 58.37 95.89 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 44.409999999999997 110.865 179.972 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.693 HG23 ' CG1' ' A' ' 24' ' ' VAL . 4.2 p -135.45 132.66 52.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.198 -0.455 . . . . 71.519999999999996 111.103 179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.98 -54.05 27.54 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.755 -0.736 . . . . 51.43 112.444 179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -168.95 130.36 1.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.921 0.391 . . . . 71.299999999999997 110.887 -179.712 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 61.6 m-20 -99.64 101.1 12.19 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.133 -0.485 . . . . 52.229999999999997 110.894 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.2 tptp -114.23 166.93 11.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 51.049999999999997 110.901 179.89 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.16 -135.5 40.06 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.751 -0.738 . . . . 62.409999999999997 112.464 179.923 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.572 ' HB2' ' CE2' ' G' ' 4' ' ' PHE . . . -95.95 114.15 25.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.763 0.316 . . . . 73.400000000000006 111.1 179.981 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.515 HG22 ' CZ ' ' B' ' 20' ' ' PHE . 0.6 OUTLIER -128.48 123.64 60.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.436 . . . . 71.430000000000007 111.137 179.958 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 26.3 mt -114.74 109.6 29.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 65.219999999999999 111.156 179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.44 -34.86 27.67 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.748 -0.739 . . . . 70.109999999999999 112.473 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.776 HD12 ' CD2' ' C' ' 34' ' ' LEU . 3.3 tm? -162.66 107.26 1.14 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.833 0.349 . . . . 75.310000000000002 110.914 -179.917 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 46.2 ttm -121.92 124.13 43.33 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.225 -0.443 . . . . 75.099999999999994 110.934 179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.597 HG21 HG11 ' G' ' 36' ' ' VAL . 65.8 t -122.21 117.72 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.287 -0.415 . . . . 71.329999999999998 111.127 179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.98 26.84 28.28 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.783 -0.722 . . . . 62.210000000000001 112.49 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.38 176.27 25.29 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.773 -0.727 . . . . 72.129999999999995 112.486 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.923 HG13 HG23 ' C' ' 39' ' ' VAL . 5.1 p -152.16 143.53 15.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.885 0.374 . . . . 73.409999999999997 111.092 -179.977 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 75.140000000000001 111.142 179.883 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.854 0.359 . . . . 74.239999999999995 110.873 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . 0.432 ' HB1' ' HG2' ' C' ' 5' ' ' ARG . . . -66.96 105.29 1.59 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 63.229999999999997 111.112 179.96 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.404 ' CA ' ' HA2' ' H' ' 29' ' ' GLY . 1.9 mp0 -54.91 -37.33 66.24 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 71.209999999999994 110.862 -179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . 0.569 ' CE2' ' HB2' ' H' ' 30' ' ' ALA . 0.1 OUTLIER -150.79 114.36 4.92 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.134 -0.485 . . . . 75.230000000000004 110.888 -179.887 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . 0.432 ' HG2' ' HB1' ' C' ' 2' ' ' ALA . 6.4 mmt180 -128.59 108.66 10.7 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.113 -0.494 . . . . 74.340000000000003 110.835 -179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 76.7 t60 -106.29 109.37 21.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 75.439999999999998 110.835 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -113.13 101.08 9.1 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.213 -0.449 . . . . 75.239999999999995 110.861 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 19.4 t -149.34 175.42 11.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 74.420000000000002 110.886 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.81 -8.2 40.2 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 73.439999999999998 112.48 -179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.47 115.41 0.31 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.817 0.342 . . . . 75.299999999999997 110.935 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -101.83 120.05 39.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.084 -0.507 . . . . 74.540000000000006 110.872 -179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 96.7 t -131.47 114.4 25.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.135 -0.484 . . . . 73.129999999999995 111.137 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 43.7 m170 -124.11 117.41 24.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 70.230000000000004 110.885 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -126.53 127.97 46.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.195 -0.457 . . . . 60.310000000000002 110.868 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -118.91 133.49 55.8 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.197 -0.456 . . . . 72.25 110.901 -179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.585 ' O ' HD22 ' C' ' 17' ' ' LEU . 12.6 tptm -124.67 116.77 22.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.192 -0.458 . . . . 72.340000000000003 110.862 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.621 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.5 mm? -126.66 109.79 12.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.242 -0.436 . . . . 64.25 110.921 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.716 HG12 ' HB2' ' C' ' 21' ' ' ALA . 9.9 t -118.29 115.79 49.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 70.200000000000003 111.115 179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.688 ' CE2' HD23 ' D' ' 34' ' ' LEU . 1.9 m-85 -105.79 129.51 53.96 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 73.239999999999995 110.899 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.401 ' CZ ' HG22 ' C' ' 31' ' ' ILE . 6.8 m-85 60.54 55.17 3.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.474 . . . . 65.519999999999996 110.845 -179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.716 ' HB2' HG12 ' C' ' 18' ' ' VAL . . . -91.69 114.11 26.56 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 73.230000000000004 111.105 179.913 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 58.68 96.68 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.195 -0.457 . . . . 73.549999999999997 110.87 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.673 HG23 ' CG1' ' B' ' 24' ' ' VAL . 4.1 p -136.28 132.16 49.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 74.430000000000007 111.094 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.82 -54.06 30.18 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.696 -0.764 . . . . 72.209999999999994 112.509 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -167.68 129.73 1.55 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.887 0.375 . . . . 70.099999999999994 110.85 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.4 ' OD1' HG21 ' C' ' 24' ' ' VAL . 65.9 m-20 -99.93 100.31 11.2 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 65.239999999999995 110.896 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.403 ' O ' HD11 ' C' ' 31' ' ' ILE . 2.3 tptp -114.53 167.4 10.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.174 -0.466 . . . . 72.239999999999995 110.892 179.891 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.83 -135.91 42.02 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.771 -0.728 . . . . 41.420000000000002 112.466 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.568 ' HB2' ' CE2' ' H' ' 4' ' ' PHE . . . -96.13 113.9 25.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.719 0.295 . . . . 71.310000000000002 111.092 179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.403 HD11 ' O ' ' C' ' 28' ' ' LYS . 0.6 OUTLIER -129.02 123.87 59.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.226 -0.443 . . . . 73.040000000000006 111.133 179.954 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 24.2 mt -114.59 109.06 27.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 72.120000000000005 111.099 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.35 -33.02 29.67 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.74 -0.743 . . . . 64.5 112.504 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.84 HD12 HD22 ' D' ' 34' ' ' LEU . 3.4 tm? -161.3 106.87 1.35 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.859 0.361 . . . . 73.340000000000003 110.9 -179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 45.8 ttm -122.41 123.39 41.23 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.142 -0.481 . . . . 74.510000000000005 110.845 179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.48 HG21 HG11 ' H' ' 36' ' ' VAL . 70.7 t -123.34 116.64 49.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 62.219999999999999 111.135 179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.17 27.61 23.87 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.711 -0.757 . . . . 64.430000000000007 112.46 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.38 177.1 25.87 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.794 -0.717 . . . . 61.310000000000002 112.472 -179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.923 HG23 HG13 ' B' ' 39' ' ' VAL . 4.2 p -151.83 143.33 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.859 0.362 . . . . 71.439999999999998 111.106 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 62.420000000000002 111.134 179.942 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.828 0.347 . . . . 75.450000000000003 110.836 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . 0.44 ' HB1' ' HG2' ' D' ' 5' ' ' ARG . . . -66.94 105.26 1.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.462 . . . . 73.439999999999998 111.144 179.893 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . 0.409 ' CA ' ' HA2' ' I' ' 29' ' ' GLY . 2.1 mp0 -54.74 -37.36 65.83 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.182 -0.463 . . . . 72.430000000000007 110.849 -179.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . 0.58 ' CE2' ' HB2' ' I' ' 30' ' ' ALA . 0.1 OUTLIER -151.03 114.61 4.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.175 -0.466 . . . . 64.200000000000003 110.908 -179.883 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . 0.44 ' HG2' ' HB1' ' D' ' 2' ' ' ALA . 6.5 mmt180 -127.74 108.56 10.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 62.009999999999998 110.883 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 78.3 t60 -107.11 109.11 20.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 75.299999999999997 110.847 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -113.49 101.17 9.11 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 62.240000000000002 110.853 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 20.0 t -148.81 174.75 11.88 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 73.310000000000002 110.85 -179.768 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.46 -8.11 41.33 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 73.140000000000001 112.481 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.31 115.04 0.32 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.808 0.337 . . . . 75.420000000000002 110.958 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -101.95 120.48 40.47 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.129 -0.487 . . . . 74.430000000000007 110.847 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 94.1 t -131.7 114.2 24.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 75.25 111.177 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 44.6 m170 -124.27 116.96 23.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 63.520000000000003 110.867 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -126.67 128.23 46.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.206 -0.452 . . . . 65.0 110.855 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -118.84 135.13 54.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.203 -0.453 . . . . 63.439999999999998 110.903 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.631 ' O ' HD22 ' D' ' 17' ' ' LEU . 12.5 tptm -124.17 116.24 22.41 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 74.040000000000006 110.899 179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.631 HD22 ' O ' ' D' ' 16' ' ' LYS . 4.5 mm? -128.16 108.79 10.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 73.230000000000004 110.93 179.897 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.711 HG12 ' HB2' ' D' ' 21' ' ' ALA . 12.1 t -118.18 117.37 54.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.184 -0.462 . . . . 70.129999999999995 111.114 179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.653 ' CE2' HD23 ' E' ' 34' ' ' LEU . 1.6 m-85 -105.55 129.65 53.77 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.147 -0.479 . . . . 70.530000000000001 110.849 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 59.95 55.54 3.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.495 . . . . 72.049999999999997 110.877 -179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . 0.711 ' HB2' HG12 ' D' ' 18' ' ' VAL . . . -92.13 114.64 27.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.139 -0.482 . . . . 74.409999999999997 111.105 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 58.24 96.67 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 73.439999999999998 110.849 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.669 HG23 ' CG1' ' C' ' 24' ' ' VAL . 4.4 p -136.86 130.97 46.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.451 . . . . 72.230000000000004 111.118 179.954 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.87 -54.11 30.06 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.748 -0.739 . . . . 44.119999999999997 112.475 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -166.89 129.53 1.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.845 0.355 . . . . 55.229999999999997 110.918 -179.742 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.459 ' OD1' HG21 ' D' ' 24' ' ' VAL . 70.7 m-20 -100.57 99.84 10.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 72.120000000000005 110.903 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.417 ' O ' HD11 ' D' ' 31' ' ' ILE . 2.7 tptp -114.77 167.48 10.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 75.540000000000006 110.904 179.884 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.4 -135.94 44.13 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.762 -0.732 . . . . 65.019999999999996 112.48 179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.574 ' HB2' ' CE2' ' I' ' 4' ' ' PHE . . . -96.45 113.92 25.54 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.744 0.307 . . . . 45.219999999999999 111.11 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.417 HD11 ' O ' ' D' ' 28' ' ' LYS . 0.5 OUTLIER -129.69 123.7 57.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.196 -0.456 . . . . 62.100000000000001 111.12 -179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 24.6 mt -114.85 108.79 26.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 43.109999999999999 111.154 179.825 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.52 -31.35 27.65 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.773 -0.727 . . . . 51.539999999999999 112.459 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.869 HD12 HD22 ' E' ' 34' ' ' LEU . 3.4 tm? -159.63 106.43 1.68 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.8 0.333 . . . . 75.540000000000006 110.907 -179.951 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 44.6 ttm -124.88 122.56 37.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.145 -0.479 . . . . 63.5 110.934 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.493 HG21 HG11 ' I' ' 36' ' ' VAL . 71.7 t -123.51 116.79 49.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 64.129999999999995 111.11 -179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.91 27.94 22.77 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.775 -0.726 . . . . 20.510000000000002 112.534 -179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.13 177.08 26.16 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.689 -0.767 . . . . 75.25 112.547 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.918 HG23 HG13 ' C' ' 39' ' ' VAL . 4.7 p -151.5 143.43 16.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.902 0.382 . . . . 54.310000000000002 111.138 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 74.140000000000001 111.115 179.909 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.803 0.335 . . . . 73.430000000000007 110.889 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . 0.475 ' HB1' ' HG2' ' E' ' 5' ' ' ARG . . . -67.15 105.64 1.76 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 62.219999999999999 111.112 179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -53.77 -37.59 63.6 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.21 -0.45 . . . . 52.109999999999999 110.877 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' J' ' 30' ' ' ALA . 0.1 OUTLIER -151.38 115.57 5.03 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.166 -0.47 . . . . 74.540000000000006 110.916 -179.945 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . 0.475 ' HG2' ' HB1' ' E' ' 2' ' ' ALA . 6.3 mmt180 -126.12 108.21 11.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 72.510000000000005 110.888 -179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 79.0 t60 -106.73 109.05 20.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.166 -0.47 . . . . 63.420000000000002 110.842 -179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -113.17 101.09 9.1 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 62.240000000000002 110.852 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 19.7 t -150.1 171.69 16.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 75.25 110.856 -179.783 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.45 -7.15 46.36 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.703 -0.76 . . . . 64.510000000000005 112.495 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -171.95 113.33 0.32 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.836 0.35 . . . . 74.310000000000002 110.893 -179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -102.91 121.29 42.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.14 -0.482 . . . . 75.420000000000002 110.875 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 93.0 t -131.25 114.9 27.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 51.450000000000003 111.143 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -124.07 115.25 20.87 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.181 -0.463 . . . . 74.420000000000002 110.875 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -125.98 128.7 47.9 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 71.109999999999999 110.875 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -118.49 137.46 53.18 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.258 -0.428 . . . . 75.129999999999995 110.937 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . 0.672 ' O ' HD22 ' E' ' 17' ' ' LEU . 12.6 tptm -123.74 115.45 21.41 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 51.350000000000001 110.876 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.672 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.4 mm? -129.55 109.03 10.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.45 . . . . 72.209999999999994 110.897 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.734 ' CG1' ' HB2' ' E' ' 21' ' ' ALA . 5.8 t -116.73 119.34 61.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 64.299999999999997 111.146 179.845 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.444 ' HE1' HD12 ' E' ' 17' ' ' LEU . 1.6 m-85 -105.45 127.12 52.83 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.178 -0.465 . . . . 73.230000000000004 110.876 -179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 59.16 56.28 3.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 75.510000000000005 110.915 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . 0.734 ' HB2' ' CG1' ' E' ' 18' ' ' VAL . . . -92.04 115.47 28.1 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 62.020000000000003 111.096 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 57.41 96.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.246 -0.434 . . . . 71.140000000000001 110.837 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.608 HG21 ' OD1' ' E' ' 27' ' ' ASN . 4.5 p -135.81 129.38 48.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.466 . . . . 71.129999999999995 111.128 179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.23 -52.59 43.05 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.774 -0.727 . . . . 63.329999999999998 112.499 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -167.16 126.67 1.42 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.896 0.379 . . . . 53.350000000000001 110.799 -179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.608 ' OD1' HG21 ' E' ' 24' ' ' VAL . 72.3 m-20 -100.46 99.55 10.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 75.510000000000005 110.904 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . 0.421 ' O ' HD11 ' E' ' 31' ' ' ILE . 3.4 tptp -115.72 167.99 10.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 51.549999999999997 110.875 179.914 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.75 -134.71 46.84 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.746 -0.74 . . . . 63.130000000000003 112.474 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.585 ' HB2' ' CE2' ' J' ' 4' ' ' PHE . . . -97.31 113.72 25.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.762 0.315 . . . . 64.530000000000001 111.062 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.421 HD11 ' O ' ' E' ' 28' ' ' LYS . 0.5 OUTLIER -130.04 123.75 56.93 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 75.319999999999993 111.104 179.973 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 27.0 mt -116.62 108.38 24.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.198 -0.456 . . . . 74.310000000000002 111.139 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.66 -28.03 27.86 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.753 -0.737 . . . . 71.430000000000007 112.513 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.869 HD22 HD12 ' D' ' 34' ' ' LEU . 3.3 tm? -158.23 105.89 1.94 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.815 0.341 . . . . 75.540000000000006 110.869 -179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 42.7 ttm -127.96 123.22 34.31 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.206 -0.452 . . . . 64.209999999999994 110.87 179.807 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.553 HG21 HG11 ' J' ' 36' ' ' VAL . 72.4 t -125.85 116.88 47.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 73.040000000000006 111.106 179.947 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.93 27.97 23.02 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.771 -0.728 . . . . 52.509999999999998 112.521 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.12 176.99 26.12 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.725 -0.75 . . . . 72.329999999999998 112.441 -179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.917 HG23 HG13 ' D' ' 39' ' ' VAL . 5.4 p -151.31 143.45 16.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.906 0.384 . . . . 75.040000000000006 111.152 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.153 -0.476 . . . . 71.439999999999998 111.169 179.901 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.768 0.318 . . . . 64.519999999999996 110.853 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.36 105.2 1.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 51.409999999999997 111.119 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -54.45 -40.35 68.3 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.23 -0.441 . . . . 71.409999999999997 110.902 -179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . 0.578 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 0.1 OUTLIER -150.95 114.72 4.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.153 -0.476 . . . . 74.430000000000007 110.883 -179.911 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -132.73 109.15 9.48 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.132 -0.485 . . . . 74.340000000000003 110.873 -179.926 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 78.5 t60 -105.2 111.17 23.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.148 -0.478 . . . . 72.5 110.877 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 15.4 t0 -112.09 101.5 9.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.177 -0.465 . . . . 73.420000000000002 110.851 -179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 19.6 t -150.45 175.51 11.79 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.152 -0.476 . . . . 71.530000000000001 110.837 -179.761 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.57 -7.47 39.47 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.753 -0.737 . . . . 62.409999999999997 112.478 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.12 116.01 0.35 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.878 0.37 . . . . 74.340000000000003 110.979 -179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -102.2 119.76 39.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 52.140000000000001 110.869 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 98.8 t -132.75 114.08 21.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.127 -0.488 . . . . 74.099999999999994 111.119 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -122.72 117.01 24.72 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.169 -0.469 . . . . 74.319999999999993 110.831 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 9.2 m-70 -126.42 125.51 42.27 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.157 -0.474 . . . . 71.099999999999994 110.839 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -118.05 132.87 56.33 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 65.129999999999995 110.917 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . 0.535 ' O ' HD22 ' F' ' 17' ' ' LEU . 12.4 tptm -129.15 115.5 17.78 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.222 -0.445 . . . . 75.420000000000002 110.905 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.596 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.5 mm? -125.22 111.08 14.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 64.519999999999996 110.954 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.687 HG12 ' HB2' ' F' ' 21' ' ' ALA . 12.2 t -117.59 114.13 44.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.444 . . . . 73.450000000000003 111.14 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.689 ' CE2' HD23 ' G' ' 34' ' ' LEU . 3.4 m-85 -104.09 131.85 50.93 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.21 -0.45 . . . . 74.519999999999996 110.878 -179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . 0.519 ' CZ ' HG22 ' F' ' 31' ' ' ILE . 5.3 m-85 61.12 53.76 3.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 75.319999999999993 110.838 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . 0.687 ' HB2' HG12 ' F' ' 18' ' ' VAL . . . -91.54 113.62 25.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 71.200000000000003 111.13 179.911 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 59.3 95.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 64.299999999999997 110.859 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.686 ' CG1' HG23 ' G' ' 24' ' ' VAL . 5.1 p -134.65 134.34 54.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.177 -0.465 . . . . 64.230000000000004 111.115 179.987 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.21 -55.49 21.51 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.706 -0.759 . . . . 75.019999999999996 112.483 179.968 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.0 m -168.18 128.82 1.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.866 0.365 . . . . 54.420000000000002 110.874 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 50.9 m-20 -97.32 101.42 12.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 74.019999999999996 110.892 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 tptp -113.32 167.24 10.73 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 70.230000000000004 110.884 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . 0.403 ' HA2' ' CA ' ' A' ' 3' ' ' GLU . . . 51.67 -137.58 30.8 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.796 -0.716 . . . . 72.439999999999998 112.451 179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.566 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . . . -94.51 113.83 25.73 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.796 0.331 . . . . 53.409999999999997 111.058 -179.98 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.519 HG22 ' CZ ' ' F' ' 20' ' ' PHE . 0.6 OUTLIER -126.99 125.21 66.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 72.129999999999995 111.136 179.967 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 26.6 mt -115.94 110.88 33.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.217 -0.447 . . . . 73.340000000000003 111.152 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -80.61 -36.57 22.62 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.761 -0.733 . . . . 52.32 112.44 179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.693 HD12 ' CD2' ' G' ' 34' ' ' LEU . 2.6 tm? -164.17 107.79 0.95 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.783 0.325 . . . . 64.219999999999999 110.927 -179.87 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 46.0 ttm -122.38 124.89 44.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.23 -0.441 . . . . 73.0 110.894 179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.728 HG21 HG11 ' A' ' 36' ' ' VAL . 66.8 t -118.99 119.38 60.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 75.450000000000003 111.105 179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.5 26.88 24.46 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.715 -0.755 . . . . 71.109999999999999 112.534 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.21 175.52 24.94 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.7 -0.762 . . . . 74.409999999999997 112.486 -179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.92 HG13 HG23 ' G' ' 39' ' ' VAL . 5.5 p -152.68 143.68 15.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.901 0.381 . . . . 73.540000000000006 111.129 -179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 21.8 t . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.206 -0.452 . . . . 52.130000000000003 111.144 179.91 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.826 0.346 . . . . 70.049999999999997 110.888 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.62 104.95 1.39 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 64.0 111.091 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -54.54 -38.96 67.22 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 70.319999999999993 110.871 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 4' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' B' ' 30' ' ' ALA . 0.1 OUTLIER -151.28 114.81 4.86 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.142 -0.481 . . . . 75.129999999999995 110.904 -179.91 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -130.81 108.97 10.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.16 -0.473 . . . . 73.519999999999996 110.845 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 71.2 t60 -105.23 110.12 22.36 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 75.510000000000005 110.857 -179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -112.26 100.93 9.2 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.16 -0.473 . . . . 64.109999999999999 110.874 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 19.8 t -149.93 175.5 11.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.469 . . . . 74.519999999999996 110.806 -179.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.16 -8.21 39.18 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.767 -0.73 . . . . 65.519999999999996 112.478 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.32 115.24 0.32 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 73.510000000000005 110.947 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -101.49 119.81 39.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.129 -0.487 . . . . 70.329999999999998 110.894 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 95.8 t -131.4 114.24 25.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 74.439999999999998 111.177 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -123.71 117.73 25.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 72.030000000000001 110.845 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -127.06 127.23 44.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 72.25 110.841 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 2.0 mt-30 -118.26 132.89 56.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 73.439999999999998 110.92 -179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . 0.563 ' O ' HD22 ' G' ' 17' ' ' LEU . 12.5 tptm -126.11 116.58 21.59 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 61.240000000000002 110.839 -179.972 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.613 ' HB2' HD13 ' H' ' 17' ' ' LEU . 4.5 mm? -125.68 110.77 14.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.25 -0.432 . . . . 64.209999999999994 110.915 179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.731 HG12 ' HB2' ' G' ' 21' ' ' ALA . 8.4 t -117.91 115.15 47.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.185 -0.461 . . . . 71.25 111.137 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.693 ' CE2' HD23 ' H' ' 34' ' ' LEU . 2.4 m-85 -106.11 129.64 54.16 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 74.109999999999999 110.886 -179.982 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 0.504 ' CZ ' HG22 ' G' ' 31' ' ' ILE . 6.1 m-85 61.19 54.28 3.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.145 -0.479 . . . . 73.530000000000001 110.895 -179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . 0.731 ' HB2' HG12 ' G' ' 18' ' ' VAL . . . -91.14 113.98 26.38 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.122 -0.49 . . . . 70.540000000000006 111.114 179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 58.79 96.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.208 -0.451 . . . . 54.130000000000003 110.888 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.686 HG23 ' CG1' ' F' ' 24' ' ' VAL . 4.1 p -135.01 132.08 53.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.196 -0.456 . . . . 73.129999999999995 111.139 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.61 -53.8 30.76 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.734 -0.746 . . . . 70.120000000000005 112.477 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -167.7 128.89 1.47 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.89 0.376 . . . . 63.43 110.904 -179.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 57.2 m-20 -99.57 99.93 10.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 61.310000000000002 110.903 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 4.7 tptp -113.66 168.32 9.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.215 -0.448 . . . . 75.25 110.893 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.47 -137.3 34.71 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.696 -0.764 . . . . 44.350000000000001 112.487 179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.572 ' HB2' ' CE2' ' B' ' 4' ' ' PHE . . . -94.95 113.7 25.44 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.791 0.329 . . . . 54.100000000000001 111.117 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.504 HG22 ' CZ ' ' G' ' 20' ' ' PHE . 0.6 OUTLIER -127.45 124.28 63.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 52.219999999999999 111.139 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 26.3 mt -114.92 109.54 28.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 73.310000000000002 111.111 179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -79.97 -35.5 27.52 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.714 -0.755 . . . . 43.329999999999998 112.486 179.916 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.76 HD12 ' CD2' ' H' ' 34' ' ' LEU . 3.3 tm? -162.79 107.4 1.12 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.808 0.337 . . . . 73.310000000000002 110.951 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 46.4 ttm -121.93 124.18 43.45 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.232 -0.44 . . . . 72.25 110.913 179.843 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.597 HG11 HG21 ' B' ' 36' ' ' VAL . 67.2 t -121.57 117.67 53.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 62.119999999999997 111.161 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.99 26.91 28.54 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.778 -0.725 . . . . 54.340000000000003 112.462 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.0 176.33 25.77 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.77 -0.729 . . . . 55.219999999999999 112.459 -179.885 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.92 HG23 HG13 ' F' ' 39' ' ' VAL . 4.7 p -152.06 143.49 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.859 0.362 . . . . 74.519999999999996 111.17 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 71.510000000000005 111.122 179.942 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.795 0.331 . . . . 64.340000000000003 110.864 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.34 105.07 1.35 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.18 -0.464 . . . . 72.400000000000006 111.075 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -54.43 -38.91 66.83 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.249 -0.432 . . . . 61.329999999999998 110.889 -179.931 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 4' ' ' PHE . . . . . 0.568 ' CE2' ' HB2' ' C' ' 30' ' ' ALA . 0.1 OUTLIER -151.09 114.76 4.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.499 . . . . 62.399999999999999 110.863 -179.943 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -129.48 108.89 10.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.491 . . . . 73.219999999999999 110.888 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 76.1 t60 -106.04 109.05 20.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.19 -0.459 . . . . 63.329999999999998 110.812 -179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 15.3 t0 -112.43 101.08 9.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 71.010000000000005 110.858 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 19.2 t -149.26 175.25 11.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.223 -0.444 . . . . 73.129999999999995 110.818 -179.784 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.66 -8.36 40.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.735 -0.745 . . . . 21.52 112.527 179.976 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.47 115.43 0.31 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.878 0.371 . . . . 74.549999999999997 110.897 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -101.62 120.01 39.66 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 44.509999999999998 110.863 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 96.8 t -131.29 114.28 25.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 74.010000000000005 111.146 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 40.7 m170 -124.15 117.57 24.93 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.187 -0.461 . . . . 75.120000000000005 110.859 179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -127.02 127.28 44.52 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.227 -0.442 . . . . 72.239999999999995 110.873 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -118.22 133.32 56.0 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 74.430000000000007 110.916 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . 0.591 ' O ' HD22 ' H' ' 17' ' ' LEU . 12.6 tptm -124.59 116.62 22.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 74.519999999999996 110.91 179.976 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.613 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.5 mm? -126.53 109.28 11.98 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.208 -0.451 . . . . 63.530000000000001 110.956 179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.722 HG12 ' HB2' ' H' ' 21' ' ' ALA . 10.6 t -117.92 115.97 50.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.214 -0.448 . . . . 60.240000000000002 111.109 179.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.675 ' CE2' HD23 ' I' ' 34' ' ' LEU . 1.9 m-85 -105.9 129.7 54.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.137 -0.483 . . . . 74.209999999999994 110.872 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . 0.417 ' CZ ' HG22 ' H' ' 31' ' ' ILE . 6.8 m-85 60.51 55.09 3.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 72.329999999999998 110.909 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . 0.722 ' HB2' HG12 ' H' ' 18' ' ' VAL . . . -91.43 114.04 26.47 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 73.150000000000006 111.128 179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 16.3 m-20 58.66 96.94 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.242 -0.436 . . . . 72.040000000000006 110.879 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.679 HG23 ' CG1' ' G' ' 24' ' ' VAL . 4.0 p -135.84 131.63 50.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.175 -0.466 . . . . 65.239999999999995 111.141 -179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.51 -53.99 32.5 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.74 -0.743 . . . . 54.109999999999999 112.488 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -166.57 128.63 1.8 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.871 0.367 . . . . 55.130000000000003 110.837 -179.716 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . 0.48 ' OD1' HG21 ' H' ' 24' ' ' VAL . 67.6 m-20 -100.95 99.68 10.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.127 -0.488 . . . . 74.530000000000001 110.853 -179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 4.5 tptp -114.24 169.23 9.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.164 -0.471 . . . . 65.349999999999994 110.857 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . 0.404 ' HA2' ' CA ' ' C' ' 3' ' ' GLU . . . 53.14 -137.09 37.87 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.725 -0.75 . . . . 54.399999999999999 112.489 179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . 0.569 ' HB2' ' CE2' ' C' ' 4' ' ' PHE . . . -95.23 113.62 25.31 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.812 0.339 . . . . 45.140000000000001 111.128 179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.417 HG22 ' CZ ' ' H' ' 20' ' ' PHE . 0.6 OUTLIER -128.19 124.66 62.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.205 -0.452 . . . . 71.030000000000001 111.124 -179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 25.7 mt -115.22 108.86 26.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 64.340000000000003 111.152 179.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -81.48 -33.38 28.33 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.677 -0.773 . . . . 74.010000000000005 112.463 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.851 HD12 HD22 ' I' ' 34' ' ' LEU . 3.4 tm? -160.96 106.97 1.42 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.821 0.343 . . . . 74.319999999999993 110.919 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 46.1 ttm -122.7 123.26 40.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 53.240000000000002 110.852 179.822 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.48 HG11 HG21 ' C' ' 36' ' ' VAL . 70.1 t -122.99 116.55 49.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.439 . . . . 72.209999999999994 111.145 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.31 27.67 25.19 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.795 -0.716 . . . . 61.520000000000003 112.417 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.13 176.91 26.05 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.76 -0.734 . . . . 64.030000000000001 112.471 -179.895 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.902 HG23 HG13 ' G' ' 39' ' ' VAL . 4.2 p -151.61 143.29 16.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.845 0.355 . . . . 71.030000000000001 111.097 -179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 21.6 t . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 64.319999999999993 111.155 179.903 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.806 0.336 . . . . 64.109999999999999 110.857 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.5 104.7 1.31 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 74.400000000000006 111.06 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -54.39 -39.16 66.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 72.439999999999998 110.877 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 4' ' ' PHE . . . . . 0.574 ' CE2' ' HB2' ' D' ' 30' ' ' ALA . 0.1 OUTLIER -151.13 114.98 4.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 74.230000000000004 110.89 -179.92 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -129.02 108.8 10.68 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 75.239999999999995 110.871 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 77.1 t60 -106.32 108.85 20.57 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.215 -0.448 . . . . 71.150000000000006 110.829 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -112.68 101.33 9.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 73.219999999999999 110.84 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 19.2 t -149.19 174.69 12.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.197 -0.456 . . . . 71.200000000000003 110.835 -179.777 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.49 -8.25 40.97 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.74 -0.743 . . . . 62.439999999999998 112.489 -180.0 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.3 114.9 0.32 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.844 0.354 . . . . 64.439999999999998 110.952 -179.853 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -101.76 120.34 40.21 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.103 -0.499 . . . . 71.129999999999995 110.91 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 96.4 t -131.53 114.1 24.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 73.200000000000003 111.1 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 41.1 m170 -124.49 117.38 24.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.139 -0.482 . . . . 74.019999999999996 110.816 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -127.25 128.13 45.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.174 -0.467 . . . . 72.430000000000007 110.815 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mt-30 -118.25 134.85 54.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 73.450000000000003 110.945 -179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . 0.637 ' O ' HD22 ' I' ' 17' ' ' LEU . 12.6 tptm -124.07 116.21 22.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 72.420000000000002 110.886 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.637 HD22 ' O ' ' I' ' 16' ' ' LYS . 4.5 mm? -128.17 108.25 10.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 60.409999999999997 110.871 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . 0.715 HG12 ' HB2' ' I' ' 21' ' ' ALA . 12.0 t -117.69 117.5 55.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 52.109999999999999 111.13 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . 0.653 ' CE2' HD23 ' J' ' 34' ' ' LEU . 1.6 m-85 -105.61 129.58 53.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 71.040000000000006 110.892 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 59.93 55.64 3.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.128 -0.487 . . . . 62.509999999999998 110.87 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . 0.715 ' HB2' HG12 ' I' ' 18' ' ' VAL . . . -92.08 114.28 26.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.154 -0.475 . . . . 50.420000000000002 111.107 179.923 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 58.32 97.19 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.254 -0.43 . . . . 74.349999999999994 110.842 179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.671 HG23 ' CG1' ' H' ' 24' ' ' VAL . 4.5 p -136.49 130.42 47.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 71.519999999999996 111.123 -179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.23 -54.09 31.22 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.77 -0.729 . . . . 52.310000000000002 112.462 179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -165.78 128.2 2.03 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.889 0.376 . . . . 65.519999999999996 110.84 -179.733 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . 0.548 ' OD1' HG21 ' I' ' 24' ' ' VAL . 71.7 m-20 -102.04 99.3 9.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.119 -0.491 . . . . 73.200000000000003 110.922 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . 0.42 ' O ' HD11 ' I' ' 31' ' ' ILE . 4.5 tptp -114.86 169.24 9.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 74.030000000000001 110.892 179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . 0.409 ' HA2' ' CA ' ' D' ' 3' ' ' GLU . . . 54.43 -136.43 43.58 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.759 -0.734 . . . . 54.549999999999997 112.454 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.58 ' HB2' ' CE2' ' D' ' 4' ' ' PHE . . . -96.35 113.45 25.04 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.78 0.324 . . . . 73.310000000000002 111.093 179.964 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.42 HD11 ' O ' ' I' ' 28' ' ' LYS . 0.6 OUTLIER -129.04 124.73 61.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 61.299999999999997 111.137 179.966 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 25.5 mt -115.75 108.46 25.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.17 -0.468 . . . . 41.119999999999997 111.159 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -83.64 -31.52 26.9 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 71.209999999999994 112.508 179.899 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.898 HD12 HD22 ' J' ' 34' ' ' LEU . 3.5 tm? -158.9 106.73 1.85 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.813 0.34 . . . . 31.199999999999999 110.907 -179.929 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 43.9 ttm -125.14 122.42 37.06 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 72.400000000000006 110.899 179.842 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.493 HG11 HG21 ' D' ' 36' ' ' VAL . 68.5 t -123.88 116.89 49.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.265 -0.425 . . . . 72.530000000000001 111.109 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.9 27.73 22.09 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.713 -0.756 . . . . 51.200000000000003 112.48 179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.95 176.87 26.23 Favored Glycine 0 N--CA 1.452 -0.249 0 C-N-CA 120.715 -0.755 . . . . 73.420000000000002 112.454 -179.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 0.919 HG13 HG23 ' J' ' 39' ' ' VAL . 4.6 p -151.47 143.27 16.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 74.209999999999994 111.127 -179.983 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 21.5 t . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.178 -0.464 . . . . 75.200000000000003 111.144 179.939 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.762 0.315 . . . . 74.239999999999995 110.888 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.67 105.21 1.48 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 50.409999999999997 111.109 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -54.0 -39.29 65.94 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 72.420000000000002 110.896 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 4' ' ' PHE . . . . . 0.585 ' CE2' ' HB2' ' E' ' 30' ' ' ALA . 0.1 OUTLIER -151.54 115.4 4.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.153 -0.476 . . . . 65.340000000000003 110.921 -179.927 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -128.49 108.8 10.84 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.199 -0.455 . . . . 73.310000000000002 110.868 -179.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 78.6 t60 -106.39 108.94 20.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 74.319999999999993 110.893 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 15.2 t0 -112.89 101.32 9.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 52.109999999999999 110.887 179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 20.2 t -149.95 171.34 16.97 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 75.099999999999994 110.865 -179.791 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.05 -7.21 47.46 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.735 -0.745 . . . . 74.040000000000006 112.491 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.16 112.91 0.3 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.813 0.34 . . . . 71.329999999999998 110.89 -179.804 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tt0 -101.85 120.75 40.87 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.085 -0.507 . . . . 73.319999999999993 110.905 179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 96.3 t -131.18 114.26 25.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.14 -0.482 . . . . 60.210000000000001 111.115 -179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 42.8 m170 -124.31 115.75 21.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 74.099999999999994 110.86 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -126.5 128.58 47.14 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 73.319999999999993 110.83 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 2.1 mt-30 -117.86 137.47 52.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 71.409999999999997 110.892 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . 0.675 ' O ' HD22 ' J' ' 17' ' ' LEU . 12.6 tptm -124.01 115.45 21.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 74.340000000000003 110.887 179.963 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.675 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.4 mm? -129.65 108.51 10.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.208 -0.451 . . . . 73.109999999999999 110.901 179.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.725 HG12 ' HB2' ' J' ' 21' ' ' ALA . 5.7 t -116.41 119.43 61.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 65.340000000000003 111.189 179.805 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.47 ' HE1' HD12 ' J' ' 17' ' ' LEU . 1.6 m-85 -105.67 127.22 52.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.465 . . . . 73.219999999999999 110.878 -179.942 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 10.5 m-85 59.36 56.09 3.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.117 -0.492 . . . . 63.409999999999997 110.939 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . 0.725 ' HB2' HG12 ' J' ' 18' ' ' VAL . . . -92.29 115.7 28.31 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 73.140000000000001 111.131 179.943 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 57.61 97.27 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 61.310000000000002 110.827 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.698 HG21 ' OD1' ' J' ' 27' ' ' ASN . 4.2 p -136.36 128.38 44.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 71.430000000000007 111.125 179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.43 -52.45 44.71 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.704 -0.76 . . . . 63.450000000000003 112.495 -179.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -165.89 124.63 1.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.897 0.38 . . . . 74.129999999999995 110.851 -179.725 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . 0.698 ' OD1' HG21 ' J' ' 24' ' ' VAL . 72.4 m-20 -101.83 98.96 9.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 75.299999999999997 110.866 -179.935 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . 0.412 ' O ' HD11 ' J' ' 31' ' ' ILE . 4.7 tptp -116.22 170.46 8.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.46 . . . . 73.209999999999994 110.861 179.934 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.72 -135.37 46.07 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.729 -0.748 . . . . 74.0 112.502 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 0.572 ' HB2' ' CE2' ' E' ' 4' ' ' PHE . . . -96.87 113.25 24.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.756 0.312 . . . . 43.43 111.133 179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.412 HD11 ' O ' ' J' ' 28' ' ' LYS . 0.5 OUTLIER -129.84 124.9 59.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 74.409999999999997 111.096 -179.989 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 29.4 mt -117.69 108.01 23.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.164 -0.471 . . . . 70.140000000000001 111.09 179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -86.98 -27.71 27.88 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.719 -0.753 . . . . 73.219999999999999 112.51 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.898 HD22 HD12 ' I' ' 34' ' ' LEU . 3.3 tm? -157.52 106.12 2.1 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.812 0.339 . . . . 53.329999999999998 110.951 -179.937 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 41.3 ttm -127.47 122.85 34.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 75.120000000000005 110.897 179.818 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.553 HG11 HG21 ' E' ' 36' ' ' VAL . 77.1 t -126.44 116.57 45.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 62.310000000000002 111.158 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.94 27.75 22.41 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 62.409999999999997 112.504 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.81 177.21 26.6 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.752 . . . . 74.420000000000002 112.514 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.919 HG23 HG13 ' I' ' 39' ' ' VAL . 5.2 p -151.66 143.76 16.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.928 0.394 . . . . 71.310000000000002 111.086 -179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 21.4 t . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.123 -0.489 . . . . 71.549999999999997 111.115 179.908 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.842 0.354 . . . . 70.310000000000002 110.899 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.63 79.89 1.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.16 -0.473 . . . . 65.329999999999998 111.119 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.463 ' CA ' ' HA2' ' F' ' 29' ' ' GLY . 2.4 mp0 -51.78 -54.51 27.9 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.184 -0.462 . . . . 75.150000000000006 110.885 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.468 ' CE1' ' HB2' ' F' ' 30' ' ' ALA . 0.5 OUTLIER -137.81 115.31 11.2 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.145 -0.479 . . . . 64.099999999999994 110.904 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -122.03 108.5 13.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 74.439999999999998 110.888 -179.884 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -110.1 112.81 25.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 70.109999999999999 110.845 179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -121.98 101.64 7.68 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.222 -0.444 . . . . 72.109999999999999 110.821 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -151.83 176.88 10.99 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 62.240000000000002 110.875 -179.78 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.83 -1.97 49.25 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.699 -0.763 . . . . 71.519999999999996 112.469 -179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.459 ' HD1' HG13 ' A' ' 12' ' ' VAL . 1.2 t80 -172.24 119.1 0.4 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.878 0.37 . . . . 73.209999999999994 110.914 -179.832 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.8 tt0 -109.11 118.54 37.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.099 -0.501 . . . . 72.340000000000003 110.879 -179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.685 HG12 HG22 ' B' ' 12' ' ' VAL . 18.8 m -135.74 132.87 51.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.118 -0.492 . . . . 55.450000000000003 111.126 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 38.1 m170 -131.67 115.74 16.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 72.150000000000006 110.861 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 38.5 m-70 -124.57 119.33 28.76 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 73.349999999999994 110.889 179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 7.9 pt20 -121.35 133.72 55.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.228 -0.442 . . . . 63.030000000000001 110.913 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.44 ' O ' HD22 ' A' ' 17' ' ' LEU . 12.1 tptm -125.17 115.28 20.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.222 -0.445 . . . . 64.510000000000005 110.878 179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.541 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.1 mm? -121.25 109.61 15.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 73.519999999999996 110.873 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.708 HG12 ' CG2' ' B' ' 18' ' ' VAL . 35.9 m -118.78 122.27 69.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.176 -0.465 . . . . 70.530000000000001 111.11 179.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.6 ' CE2' HD23 ' B' ' 34' ' ' LEU . 4.6 m-85 -117.54 131.99 56.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.146 -0.479 . . . . 73.540000000000006 110.894 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 63.46 63.54 0.87 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 74.450000000000003 110.909 -179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.25 113.5 27.13 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.14 -0.482 . . . . 72.129999999999995 111.095 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 64.67 109.98 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.253 -0.43 . . . . 74.25 110.88 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.66 ' CG1' HG23 ' B' ' 24' ' ' VAL . 7.2 p -151.32 133.55 5.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.208 -0.451 . . . . 70.140000000000001 111.143 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.79 -72.96 0.58 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.763 -0.732 . . . . 74.140000000000001 112.486 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -144.67 124.2 13.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.864 0.364 . . . . 73.209999999999994 110.825 -179.709 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.65 ' ND2' HG21 ' A' ' 24' ' ' VAL . 2.2 m120 -98.75 114.77 27.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 73.310000000000002 110.937 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 6.5 mmtp -114.6 165.99 12.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.165 -0.47 . . . . 73.230000000000004 110.881 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.48 -147.07 10.97 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.745 -0.741 . . . . 54.32 112.477 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.447 ' HB2' ' CE1' ' F' ' 4' ' ' PHE . . . -87.67 113.73 23.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.759 0.314 . . . . 63.340000000000003 111.074 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.423 ' HB ' HG23 ' B' ' 31' ' ' ILE . 0.9 OUTLIER -123.18 127.06 74.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 73.439999999999998 111.106 179.953 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.551 HG21 ' HB2' ' A' ' 35' ' ' MET . 3.3 mp -126.93 119.7 53.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.149 -0.478 . . . . 74.530000000000001 111.129 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -85.72 -29.12 27.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.756 . . . . 50.039999999999999 112.468 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.66 HD12 HD22 ' B' ' 34' ' ' LEU . 2.2 tm? -156.48 108.98 2.55 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.796 0.331 . . . . 53.119999999999997 110.928 -179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.551 ' HB2' HG21 ' A' ' 32' ' ' ILE . 2.8 ttp -123.87 128.19 49.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 74.0 110.88 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 31.3 t -115.47 112.79 41.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.226 -0.443 . . . . 74.409999999999997 111.113 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.3 25.24 25.59 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.724 -0.75 . . . . 73.319999999999993 112.498 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.05 -173.25 46.43 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.747 -0.74 . . . . 71.030000000000001 112.523 -179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.843 HG13 HG23 ' B' ' 39' ' ' VAL . 5.7 p -169.14 144.57 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.831 0.348 . . . . 70.299999999999997 111.16 -179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.519 HG12 HG22 ' B' ' 40' ' ' VAL . 22.1 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.199 -0.455 . . . . 74.400000000000006 111.139 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.825 0.345 . . . . 63.340000000000003 110.858 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.3 79.43 1.3 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 53.350000000000001 111.122 179.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.43 ' CA ' ' HA2' ' G' ' 29' ' ' GLY . 2.2 mp0 -50.36 -53.47 28.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 61.210000000000001 110.881 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.52 ' CE1' ' HB2' ' G' ' 30' ' ' ALA . 0.4 OUTLIER -136.63 115.45 12.18 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.474 . . . . 72.209999999999994 110.88 -179.907 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.67 109.0 14.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 75.239999999999995 110.867 -179.888 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -110.0 113.21 25.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.167 -0.469 . . . . 63.420000000000002 110.859 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -122.07 101.21 7.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.215 -0.448 . . . . 74.140000000000001 110.837 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.427 ' O ' ' HA ' ' C' ' 8' ' ' SER . 2.8 p -152.76 176.55 11.66 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 73.420000000000002 110.909 -179.802 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.41 -3.83 47.09 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.725 -0.75 . . . . 73.239999999999995 112.493 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.439 ' HD1' HG13 ' B' ' 12' ' ' VAL . 1.3 t80 -172.39 116.13 0.33 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.855 0.36 . . . . 65.420000000000002 110.951 -179.81 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -107.96 118.44 36.76 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 62.439999999999998 110.903 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.694 HG12 HG22 ' C' ' 12' ' ' VAL . 18.0 m -132.6 132.38 59.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 75.439999999999998 111.105 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -129.69 118.6 22.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 61.509999999999998 110.879 179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 38.0 m-70 -125.84 120.46 30.57 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 61.25 110.879 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -123.2 133.1 54.25 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.161 -0.472 . . . . 73.25 110.901 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.498 ' O ' HD22 ' B' ' 17' ' ' LEU . 12.3 tptm -125.09 115.74 20.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 74.219999999999999 110.878 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.541 HD13 ' HB2' ' A' ' 17' ' ' LEU . 4.1 mm? -122.41 110.12 15.24 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 75.030000000000001 110.913 179.941 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.713 HG12 ' CG2' ' C' ' 18' ' ' VAL . 35.1 m -120.16 121.75 66.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.453 . . . . 62.409999999999997 111.142 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.678 ' CE2' HD23 ' C' ' 34' ' ' LEU . 2.7 m-85 -114.92 131.36 56.91 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 65.109999999999999 110.861 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.412 ' HZ ' HG22 ' B' ' 31' ' ' ILE . 1.9 m-85 62.68 65.38 0.83 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.132 -0.485 . . . . 74.219999999999999 110.87 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.99 113.46 27.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.121 -0.491 . . . . 75.120000000000005 111.102 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 64.47 110.03 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.253 -0.43 . . . . 62.399999999999999 110.89 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.671 HG21 ' ND2' ' B' ' 27' ' ' ASN . 6.7 p -151.43 133.4 5.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.216 -0.447 . . . . 71.340000000000003 111.131 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.72 -72.23 0.72 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.713 -0.756 . . . . 73.200000000000003 112.511 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -144.59 124.01 13.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.908 0.385 . . . . 60.119999999999997 110.895 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.671 ' ND2' HG21 ' B' ' 24' ' ' VAL . 2.3 m120 -98.74 115.45 28.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 73.340000000000003 110.889 -179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 7.3 mmtp -114.95 165.79 12.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.155 -0.475 . . . . 70.129999999999995 110.886 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.7 -147.55 11.08 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.708 -0.758 . . . . 72.450000000000003 112.512 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.473 ' HB2' ' CE1' ' G' ' 4' ' ' PHE . . . -87.64 114.59 24.4 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.755 0.312 . . . . 55.539999999999999 111.132 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.423 HG23 ' HB ' ' A' ' 31' ' ' ILE . 0.8 OUTLIER -123.95 125.28 70.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.228 -0.442 . . . . 52.43 111.106 -179.961 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.504 HG21 ' HB2' ' B' ' 35' ' ' MET . 3.3 mp -127.67 118.95 50.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.151 -0.477 . . . . 71.510000000000005 111.141 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.29 -27.9 24.08 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 64.030000000000001 112.501 179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.886 HD12 HD22 ' C' ' 34' ' ' LEU . 2.6 tm? -152.37 107.56 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 44.329999999999998 110.894 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.504 ' HB2' HG21 ' B' ' 32' ' ' ILE . 2.9 ttp -124.89 125.62 44.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.178 -0.464 . . . . 72.450000000000003 110.857 179.851 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 38.3 t -115.43 112.1 38.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.213 -0.449 . . . . 73.409999999999997 111.146 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.3 25.48 26.35 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.765 -0.731 . . . . 65.319999999999993 112.482 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.2 -172.91 46.15 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.707 -0.759 . . . . 75.120000000000005 112.521 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.873 HG13 HG23 ' C' ' 39' ' ' VAL . 4.4 p -169.25 144.18 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.873 0.368 . . . . 64.140000000000001 111.092 -179.952 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.52 HG12 HG22 ' C' ' 40' ' ' VAL . 21.6 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 43.009999999999998 111.095 179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 41.6 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.796 0.331 . . . . 72.219999999999999 110.897 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.55 78.95 1.24 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.224 -0.443 . . . . 52.409999999999997 111.137 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.44 ' CA ' ' HA2' ' H' ' 29' ' ' GLY . 2.3 mp0 -51.44 -53.99 31.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 75.140000000000001 110.878 -179.919 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . 0.505 ' CE1' ' HB2' ' H' ' 30' ' ' ALA . 0.4 OUTLIER -137.19 115.35 11.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 60.340000000000003 110.879 -179.899 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.76 108.94 14.57 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.103 -0.498 . . . . 72.230000000000004 110.839 -179.908 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -110.59 112.82 24.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.451 . . . . 71.299999999999997 110.844 179.976 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 5.4 t70 -120.58 101.29 7.65 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 74.420000000000002 110.893 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . 0.435 ' O ' ' HA ' ' D' ' 8' ' ' SER . 2.8 p -152.82 176.35 11.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 73.430000000000007 110.862 -179.718 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.29 -3.95 44.21 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 64.519999999999996 112.46 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . 0.409 ' HD1' HG13 ' C' ' 12' ' ' VAL . 1.3 t80 -172.41 115.59 0.32 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.842 0.353 . . . . 71.040000000000006 110.902 -179.837 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -108.39 119.45 39.53 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.073 -0.512 . . . . 73.310000000000002 110.893 179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.711 HG12 HG22 ' D' ' 12' ' ' VAL . 17.5 m -131.88 132.59 61.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 74.140000000000001 111.16 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 34.3 m170 -130.32 118.51 21.39 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.194 -0.457 . . . . 65.230000000000004 110.898 179.93 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -124.98 121.41 34.34 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.246 -0.433 . . . . 71.109999999999999 110.826 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -124.35 133.03 53.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.174 -0.466 . . . . 73.420000000000002 110.944 -179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.515 ' O ' HD22 ' C' ' 17' ' ' LEU . 12.3 tptm -124.86 115.74 21.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.248 -0.433 . . . . 71.540000000000006 110.878 179.96 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.524 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.1 mm? -122.83 110.53 15.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.232 -0.44 . . . . 64.349999999999994 110.911 179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.713 ' CG2' HG12 ' B' ' 18' ' ' VAL . 35.2 m -120.95 122.56 68.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.454 . . . . 75.219999999999999 111.078 179.856 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.702 ' CE2' HD23 ' D' ' 34' ' ' LEU . 2.3 m-85 -113.97 130.63 56.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 74.409999999999997 110.884 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.405 ' HZ ' HG22 ' C' ' 31' ' ' ILE . 2.2 m-85 62.0 66.47 0.82 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 64.510000000000005 110.813 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.0 114.0 27.93 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 74.109999999999999 111.067 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 64.46 109.21 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 64.519999999999996 110.842 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.693 HG21 ' ND2' ' C' ' 27' ' ' ASN . 6.5 p -151.32 133.05 5.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.146 -0.479 . . . . 65.329999999999998 111.103 179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.39 -71.64 0.83 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.758 -0.734 . . . . 22.32 112.51 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -144.94 123.67 12.58 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.931 0.396 . . . . 64.319999999999993 110.855 -179.726 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.693 ' ND2' HG21 ' C' ' 24' ' ' VAL . 2.2 m120 -98.24 115.82 29.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 71.150000000000006 110.878 -179.966 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -114.91 165.87 12.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.166 -0.47 . . . . 73.519999999999996 110.858 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.9 -147.35 12.09 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.759 -0.734 . . . . 72.409999999999997 112.446 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.483 ' HB2' ' CE1' ' H' ' 4' ' ' PHE . . . -88.18 114.54 24.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.787 0.327 . . . . 73.329999999999998 111.065 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.445 ' HB ' HG23 ' D' ' 31' ' ' ILE . 0.8 OUTLIER -123.87 124.52 69.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.216 -0.447 . . . . 75.120000000000005 111.171 179.943 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.486 HG21 ' HB2' ' C' ' 35' ' ' MET . 3.2 mp -127.29 117.69 47.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.137 -0.483 . . . . 71.530000000000001 111.104 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.48 -26.96 26.25 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.759 -0.734 . . . . 51.340000000000003 112.443 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.908 HD12 HD22 ' D' ' 34' ' ' LEU . 2.9 tm? -152.03 106.93 3.24 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.834 0.349 . . . . 71.230000000000004 110.937 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.486 ' HB2' HG21 ' C' ' 32' ' ' ILE . 2.9 ttp -124.54 124.67 42.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 73.030000000000001 110.865 179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 39.8 t -115.63 111.47 35.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 116.253 -0.43 . . . . 73.140000000000001 111.089 179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.95 25.48 23.85 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.741 -0.743 . . . . 33.210000000000001 112.516 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.51 -172.47 45.57 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.759 -0.734 . . . . 31.239999999999998 112.476 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.876 HG13 HG23 ' D' ' 39' ' ' VAL . 4.4 p -169.25 144.33 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-O 120.87 0.367 . . . . 71.209999999999994 111.14 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.556 HG12 HG22 ' D' ' 40' ' ' VAL . 21.2 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.189 -0.46 . . . . 54.009999999999998 111.149 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 . . . . . 0 C--O 1.23 0.067 0 CA-C-O 120.832 0.349 . . . . 71.200000000000003 110.88 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.23 79.45 1.31 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 75.040000000000006 111.124 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . 0.441 ' CA ' ' HA2' ' I' ' 29' ' ' GLY . 2.4 mp0 -52.24 -53.99 36.77 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 70.450000000000003 110.852 -179.904 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . 0.522 ' CE1' ' HB2' ' I' ' 30' ' ' ALA . 0.4 OUTLIER -137.23 115.22 11.52 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 73.340000000000003 110.923 -179.895 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.46 108.8 14.54 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.143 -0.481 . . . . 65.129999999999995 110.854 -179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -110.68 112.51 24.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 74.219999999999999 110.877 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -119.48 101.35 7.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.224 -0.444 . . . . 71.409999999999997 110.82 -179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . 0.435 ' HA ' ' O ' ' C' ' 8' ' ' SER . 2.7 p -153.38 174.96 13.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 73.310000000000002 110.889 -179.808 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.01 -4.19 44.99 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.748 -0.739 . . . . 73.340000000000003 112.462 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.17 115.71 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.823 0.344 . . . . 71.420000000000002 110.922 -179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -110.39 120.41 42.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.138 -0.483 . . . . 75.329999999999998 110.862 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.775 HG12 HG22 ' E' ' 12' ' ' VAL . 19.7 m -131.11 132.45 63.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.141 -0.481 . . . . 71.219999999999999 111.12 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 33.9 m170 -130.22 117.41 19.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.138 -0.483 . . . . 64.299999999999997 110.876 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -123.4 122.0 37.18 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.191 -0.459 . . . . 72.120000000000005 110.894 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 8.0 pt20 -124.94 133.39 53.06 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 71.349999999999994 110.928 -179.927 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.53 ' O ' HD22 ' D' ' 17' ' ' LEU . 12.4 tptm -124.52 115.52 21.01 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.199 -0.455 . . . . 55.509999999999998 110.912 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.53 HD22 ' O ' ' D' ' 16' ' ' LYS . 4.0 mm? -123.48 110.74 15.46 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 52.399999999999999 110.889 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.712 HG12 ' CG2' ' E' ' 18' ' ' VAL . 35.3 m -121.0 123.25 69.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.167 -0.469 . . . . 53.299999999999997 111.099 179.806 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.681 ' CE2' HD23 ' E' ' 34' ' ' LEU . 2.1 m-85 -112.43 129.2 56.41 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 75.120000000000005 110.868 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 2.3 m-85 61.54 67.35 0.78 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.157 -0.474 . . . . 74.409999999999997 110.895 -179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.37 114.31 28.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 63.240000000000002 111.103 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 64.44 108.85 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 34.43 110.852 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.706 HG21 ' ND2' ' D' ' 27' ' ' ASN . 7.2 p -151.37 132.35 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 73.450000000000003 111.101 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.84 -71.42 0.87 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.765 -0.731 . . . . 34.299999999999997 112.471 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -144.56 123.58 12.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.86 0.362 . . . . 75.540000000000006 110.868 -179.754 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.706 ' ND2' HG21 ' D' ' 24' ' ' VAL . 2.2 m120 -97.97 115.57 28.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 74.310000000000002 110.894 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 6.9 mmtp -114.88 165.73 12.53 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.144 -0.48 . . . . 71.329999999999998 110.911 179.92 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.06 -147.74 11.98 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.74 -0.743 . . . . 42.530000000000001 112.518 179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.47 ' HB2' ' CE1' ' I' ' 4' ' ' PHE . . . -88.4 113.92 24.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.768 0.318 . . . . 71.409999999999997 111.122 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.445 HG23 ' HB ' ' C' ' 31' ' ' ILE . 0.7 OUTLIER -123.83 124.38 69.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 74.349999999999994 111.137 179.991 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.453 HG21 ' HB2' ' D' ' 35' ' ' MET . 3.3 mp -127.92 117.54 46.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 71.030000000000001 111.157 179.819 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.35 -26.56 25.3 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.755 -0.736 . . . . 33.240000000000002 112.483 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.963 HD12 HD22 ' E' ' 34' ' ' LEU . 3.1 tm? -150.19 106.26 3.45 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.834 0.349 . . . . 74.219999999999999 110.904 -179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.453 ' HB2' HG21 ' D' ' 32' ' ' ILE . 3.0 ttp -124.59 123.46 40.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 61.399999999999999 110.865 179.825 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 40.6 t -115.44 110.98 33.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.458 . . . . 75.420000000000002 111.151 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.59 25.55 21.45 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.715 -0.755 . . . . 63.219999999999999 112.481 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.62 -172.03 45.24 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.766 -0.73 . . . . 54.340000000000003 112.476 -179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.876 HG23 HG13 ' C' ' 39' ' ' VAL . 4.2 p -169.22 144.22 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.911 0.386 . . . . 75.319999999999993 111.111 -179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.556 HG22 HG12 ' C' ' 40' ' ' VAL . 21.8 m . . . . . 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 74.109999999999999 111.093 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 40.9 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.85 0.357 . . . . 74.530000000000001 110.846 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.71 82.62 1.68 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.47 . . . . 74.329999999999998 111.084 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . 0.447 ' CA ' ' HA2' ' J' ' 29' ' ' GLY . 2.4 mp0 -51.31 -53.99 30.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.449 . . . . 74.329999999999998 110.907 -179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . 0.534 ' CE1' ' HB2' ' J' ' 30' ' ' ALA . 0.4 OUTLIER -135.52 115.7 13.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 70.450000000000003 110.885 -179.949 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.3 108.21 14.33 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.127 -0.488 . . . . 75.0 110.887 -179.898 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -111.22 112.95 25.09 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 65.430000000000007 110.854 -179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -117.6 100.76 7.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 65.120000000000005 110.899 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 2.7 p -155.35 170.04 22.81 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 73.200000000000003 110.869 -179.803 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.95 -2.85 45.76 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.706 -0.759 . . . . 62.329999999999998 112.474 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -169.82 112.65 0.48 Allowed 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.793 0.33 . . . . 62.130000000000003 110.931 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -113.29 120.08 39.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 73.200000000000003 110.906 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . 0.775 HG22 HG12 ' D' ' 12' ' ' VAL . 21.4 m -129.93 132.97 65.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 75.230000000000004 111.149 179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 33.2 m170 -130.02 116.24 18.27 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 71.510000000000005 110.839 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 38.2 m-70 -120.92 121.85 38.95 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 64.140000000000001 110.868 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -124.17 134.34 53.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.241 -0.436 . . . . 73.140000000000001 110.944 -179.929 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . 0.521 ' O ' HD22 ' E' ' 17' ' ' LEU . 12.3 tptm -124.66 115.3 20.55 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.23 -0.441 . . . . 75.230000000000004 110.926 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.521 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.2 mm? -124.4 109.27 13.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.22 -0.445 . . . . 72.010000000000005 110.907 179.916 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.712 ' CG2' HG12 ' D' ' 18' ' ' VAL . 27.2 m -119.09 123.9 72.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 71.230000000000004 111.098 179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.494 ' HE1' HD12 ' E' ' 17' ' ' LEU . 1.7 m-85 -111.42 127.97 55.84 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.176 -0.465 . . . . 75.329999999999998 110.887 179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 3.4 m-85 60.36 68.47 0.76 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 75.409999999999997 110.905 -179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.89 114.87 29.34 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.094 -0.503 . . . . 74.439999999999998 111.099 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 64.41 108.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 64.430000000000007 110.86 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.716 HG21 ' ND2' ' E' ' 27' ' ' ASN . 7.6 p -151.62 131.61 3.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.2 -0.454 . . . . 52.140000000000001 111.089 179.977 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.63 -71.55 0.85 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.742 -0.742 . . . . 71.129999999999995 112.49 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -144.21 123.24 12.83 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.902 0.382 . . . . 41.439999999999998 110.851 -179.715 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.716 ' ND2' HG21 ' E' ' 24' ' ' VAL . 2.3 m120 -97.78 115.23 27.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.099 -0.501 . . . . 75.540000000000006 110.913 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 6.7 mmtp -114.75 165.34 12.93 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 53.43 110.886 179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.13 -147.1 13.36 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.739 -0.743 . . . . 33.100000000000001 112.44 179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.479 ' HB2' ' CE1' ' J' ' 4' ' ' PHE . . . -88.45 113.93 24.55 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.803 0.335 . . . . 62.020000000000003 111.117 179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.8 OUTLIER -123.43 124.4 69.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.445 . . . . 63.039999999999999 111.12 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.434 HG21 ' HB2' ' E' ' 35' ' ' MET . 3.2 mp -129.28 116.12 38.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.184 -0.462 . . . . 74.129999999999995 111.142 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.12 -22.91 31.14 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.712 -0.756 . . . . 71.5 112.481 179.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.963 HD22 HD12 ' D' ' 34' ' ' LEU . 3.4 tm? -151.44 106.09 3.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.809 0.338 . . . . 63.229999999999997 110.899 -179.931 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.434 ' HB2' HG21 ' E' ' 32' ' ' ILE . 2.9 ttp -126.09 124.77 41.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 64.400000000000006 110.902 179.783 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 29.2 t -118.55 110.22 29.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.226 -0.443 . . . . 72.349999999999994 111.098 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.85 24.64 27.29 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.742 -0.742 . . . . 74.209999999999994 112.519 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.13 -172.54 44.78 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.727 -0.749 . . . . 63.409999999999997 112.464 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.869 HG23 HG13 ' D' ' 39' ' ' VAL . 4.5 p -169.27 144.14 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.874 0.369 . . . . 74.329999999999998 111.097 -179.999 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.493 HG22 HG12 ' D' ' 40' ' ' VAL . 21.9 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 74.420000000000002 111.135 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 42.5 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.813 0.339 . . . . 34.43 110.902 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.31 79.34 1.47 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.201 -0.454 . . . . 32.210000000000001 111.1 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -51.92 -53.81 36.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.255 -0.43 . . . . 74.349999999999994 110.886 -179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . 0.447 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 0.4 OUTLIER -137.34 115.52 11.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.234 -0.439 . . . . 55.240000000000002 110.875 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -121.04 109.08 14.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.107 -0.497 . . . . 72.140000000000001 110.879 -179.923 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -110.25 112.02 23.71 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.162 -0.472 . . . . 55.009999999999998 110.835 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -121.07 101.98 8.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 61.219999999999999 110.853 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 2.7 p -151.62 176.63 11.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 60.509999999999998 110.898 -179.767 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.83 -2.36 49.32 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.728 -0.749 . . . . 51.030000000000001 112.458 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . 0.46 ' HD1' HG13 ' F' ' 12' ' ' VAL . 1.3 t80 -172.14 118.55 0.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.883 0.373 . . . . 74.030000000000001 110.907 -179.784 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 24.4 tt0 -108.23 118.49 36.9 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.075 -0.511 . . . . 73.019999999999996 110.824 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.703 HG12 HG22 ' G' ' 12' ' ' VAL . 19.9 m -135.31 132.72 52.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.107 -0.497 . . . . 72.310000000000002 111.116 179.953 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -131.5 115.57 16.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 64.430000000000007 110.847 179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 37.9 m-70 -124.56 119.65 29.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.202 -0.454 . . . . 73.450000000000003 110.884 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 8.4 pt20 -121.84 133.11 54.89 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 72.430000000000007 110.896 -179.903 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . 0.443 ' O ' HD22 ' F' ' 17' ' ' LEU . 12.2 tptm -124.9 115.42 20.6 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.156 -0.475 . . . . 61.210000000000001 110.92 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.508 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.2 mm? -121.76 109.15 14.34 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 72.400000000000006 110.924 179.932 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.716 HG12 ' CG2' ' G' ' 18' ' ' VAL . 35.4 m -118.75 122.65 69.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 75.109999999999999 111.152 179.839 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.601 ' CE2' HD23 ' G' ' 34' ' ' LEU . 4.7 m-85 -117.66 131.3 56.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.182 -0.463 . . . . 73.230000000000004 110.871 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 63.57 64.5 0.79 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 61.210000000000001 110.885 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.27 112.68 25.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.169 -0.469 . . . . 60.219999999999999 111.121 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 64.79 110.5 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 72.340000000000003 110.885 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.69 HG21 ' ND2' ' F' ' 27' ' ' ASN . 7.0 p -151.07 134.23 7.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 75.510000000000005 111.146 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.63 -73.92 0.5 Allowed Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.747 -0.739 . . . . 71.400000000000006 112.499 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -143.45 123.32 13.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.914 0.388 . . . . 63.130000000000003 110.831 -179.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . 0.69 ' ND2' HG21 ' F' ' 24' ' ' VAL . 2.3 m120 -98.73 114.75 27.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.486 . . . . 74.120000000000005 110.915 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 mmtp -113.99 167.65 10.48 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 72.310000000000002 110.929 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . 0.463 ' HA2' ' CA ' ' A' ' 3' ' ' GLU . . . 50.42 -150.48 5.6 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.743 -0.741 . . . . 53.32 112.491 179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.468 ' HB2' ' CE1' ' A' ' 4' ' ' PHE . . . -85.89 113.36 21.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.8 0.333 . . . . 74.519999999999996 111.07 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -122.41 129.4 75.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 74.420000000000002 111.11 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.55 HG21 ' HB2' ' F' ' 35' ' ' MET . 3.4 mp -127.79 119.35 51.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 72.150000000000006 111.171 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -84.92 -30.15 26.86 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.759 -0.734 . . . . 71.409999999999997 112.491 179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.628 HD12 HD22 ' G' ' 34' ' ' LEU . 2.1 tm? -156.15 109.77 2.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 73.540000000000006 110.917 -179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . 0.55 ' HB2' HG21 ' F' ' 32' ' ' ILE . 2.8 ttp -124.54 127.6 47.66 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 75.510000000000005 110.894 179.801 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 39.3 t -114.54 112.22 39.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.2 -0.454 . . . . 65.25 111.109 179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.48 24.98 26.0 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.783 -0.723 . . . . 74.010000000000005 112.495 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.06 -173.63 47.63 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.783 -0.722 . . . . 62.020000000000003 112.498 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.857 HG13 HG23 ' G' ' 39' ' ' VAL . 5.7 p -169.57 145.39 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.803 0.335 . . . . 73.120000000000005 111.165 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.489 HG12 HG22 ' G' ' 40' ' ' VAL . 22.0 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 62.119999999999997 111.16 179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 42.2 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.814 0.34 . . . . 74.540000000000006 110.901 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.05 79.76 1.44 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 74.510000000000005 111.113 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -51.0 -53.26 34.82 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.207 -0.451 . . . . 73.450000000000003 110.908 -179.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 4' ' ' PHE . . . . . 0.473 ' CE1' ' HB2' ' B' ' 30' ' ' ALA . 0.4 OUTLIER -136.29 115.6 12.61 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 72.209999999999994 110.89 -179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.54 108.97 14.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 74.129999999999995 110.862 -179.902 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -110.02 112.71 24.89 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 72.450000000000003 110.839 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -121.59 101.37 7.56 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 73.239999999999995 110.833 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . 0.43 ' O ' ' HA ' ' H' ' 8' ' ' SER . 2.8 p -152.76 176.32 11.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 65.400000000000006 110.832 -179.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.49 -3.9 46.8 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.692 -0.766 . . . . 54.32 112.463 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . 0.432 ' HD1' HG13 ' G' ' 12' ' ' VAL . 1.3 t80 -172.44 115.86 0.32 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.846 0.355 . . . . 64.129999999999995 110.913 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 28.0 tt0 -107.46 118.28 36.31 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 75.319999999999993 110.892 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . 0.708 HG12 HG22 ' H' ' 12' ' ' VAL . 19.1 m -132.17 132.31 60.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.128 -0.487 . . . . 72.340000000000003 111.131 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 33.3 m170 -129.83 118.59 22.01 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.178 -0.465 . . . . 64.319999999999993 110.796 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 37.7 m-70 -126.15 119.94 28.82 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.461 . . . . 71.420000000000002 110.869 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -122.88 133.09 54.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 74.109999999999999 110.948 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . 0.484 ' O ' HD22 ' G' ' 17' ' ' LEU . 12.3 tptm -125.19 115.7 20.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.196 -0.456 . . . . 71.200000000000003 110.904 179.962 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.508 HD13 ' HB2' ' F' ' 17' ' ' LEU . 4.1 mm? -122.21 109.62 14.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 72.099999999999994 110.905 179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.716 ' CG2' HG12 ' F' ' 18' ' ' VAL . 34.9 m -119.68 122.13 67.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.219 -0.446 . . . . 53.509999999999998 111.148 179.823 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.666 ' CE2' HD23 ' H' ' 34' ' ' LEU . 2.9 m-85 -115.18 131.09 57.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 63.43 110.916 179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 0.421 ' HZ ' HG22 ' G' ' 31' ' ' ILE . 1.8 m-85 62.59 65.5 0.83 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 71.439999999999998 110.877 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.65 113.1 26.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 40.340000000000003 111.153 179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 64.81 110.4 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 73.040000000000006 110.852 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.712 HG21 ' ND2' ' G' ' 27' ' ' ASN . 6.6 p -151.42 133.48 5.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.192 -0.458 . . . . 74.329999999999998 111.103 179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.38 -72.35 0.71 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.73 -0.748 . . . . 55.530000000000001 112.493 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 3.0 m -143.94 124.06 13.67 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.883 0.373 . . . . 74.409999999999997 110.836 -179.739 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . 0.712 ' ND2' HG21 ' G' ' 24' ' ' VAL . 2.3 m120 -99.6 114.71 27.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.127 -0.488 . . . . 75.439999999999998 110.929 -179.972 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 5.3 mmtp -114.33 167.72 10.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 74.239999999999995 110.885 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . 0.43 ' HA2' ' CA ' ' B' ' 3' ' ' GLU . . . 50.61 -149.48 6.56 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.809 -0.71 . . . . 73.400000000000006 112.441 179.917 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.52 ' HB2' ' CE1' ' B' ' 4' ' ' PHE . . . -86.33 114.37 23.07 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.769 0.319 . . . . 75.450000000000003 111.088 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.427 ' HB ' HG23 ' H' ' 31' ' ' ILE . 0.8 OUTLIER -123.36 127.42 74.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 71.349999999999994 111.147 179.981 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.529 HG21 ' HB2' ' G' ' 35' ' ' MET . 3.4 mp -128.02 119.14 50.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.216 -0.447 . . . . 74.310000000000002 111.167 179.868 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -87.8 -29.45 20.9 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.749 -0.739 . . . . 61.119999999999997 112.467 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.863 HD12 HD22 ' H' ' 34' ' ' LEU . 2.7 tm? -152.96 107.96 3.21 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.826 0.346 . . . . 63.549999999999997 110.912 -179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.529 ' HB2' HG21 ' G' ' 32' ' ' ILE . 2.8 ttp -124.02 125.2 44.13 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.216 -0.447 . . . . 63.450000000000003 110.855 179.842 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 39.6 t -115.04 111.12 34.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 73.140000000000001 111.14 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.81 25.2 29.07 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 32.109999999999999 112.473 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.49 -173.37 47.09 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 75.209999999999994 112.483 -179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.879 HG13 HG23 ' H' ' 39' ' ' VAL . 4.4 p -169.55 145.17 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.871 0.367 . . . . 73.310000000000002 111.173 -179.983 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.598 HG12 HG22 ' H' ' 40' ' ' VAL . 22.0 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.202 -0.454 . . . . 73.150000000000006 111.184 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 41.3 m-20 . . . . . 0 C--O 1.23 0.053 0 CA-C-O 120.816 0.341 . . . . 73.340000000000003 110.888 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.75 79.19 1.41 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 64.120000000000005 111.112 179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -51.49 -53.64 35.33 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.236 -0.438 . . . . 72.129999999999995 110.854 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 4' ' ' PHE . . . . . 0.483 ' CE1' ' HB2' ' C' ' 30' ' ' ALA . 0.4 OUTLIER -136.78 115.56 12.16 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.135 -0.484 . . . . 61.229999999999997 110.846 -179.892 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.57 109.01 14.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.109 -0.496 . . . . 62.009999999999998 110.881 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 0.5 OUTLIER -110.68 111.74 23.15 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.196 -0.456 . . . . 74.040000000000006 110.857 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -119.99 101.53 7.92 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.238 -0.437 . . . . 70.040000000000006 110.813 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . 0.439 ' O ' ' HA ' ' I' ' 8' ' ' SER . 2.7 p -153.05 176.06 12.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.163 -0.471 . . . . 72.409999999999997 110.86 -179.799 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.09 -4.25 44.71 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.763 -0.732 . . . . 44.130000000000003 112.504 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . 0.406 ' HD1' HG13 ' H' ' 12' ' ' VAL . 1.3 t80 -172.41 115.68 0.32 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.898 0.38 . . . . 54.539999999999999 110.907 -179.824 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 28.9 tt0 -108.26 119.15 38.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.11 -0.495 . . . . 73.540000000000006 110.882 -179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.71 HG12 HG22 ' I' ' 12' ' ' VAL . 18.7 m -131.44 132.58 62.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 75.219999999999999 111.129 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -130.2 118.65 21.71 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.471 . . . . 71.299999999999997 110.867 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 37.5 m-70 -125.41 120.32 30.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.247 -0.433 . . . . 72.349999999999994 110.87 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -123.55 132.94 54.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.232 -0.44 . . . . 72.109999999999999 110.9 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . 0.506 ' O ' HD22 ' H' ' 17' ' ' LEU . 12.3 tptm -124.82 115.78 21.21 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.193 -0.458 . . . . 73.450000000000003 110.903 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.507 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.1 mm? -122.81 109.98 14.88 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 74.150000000000006 110.922 179.933 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.712 ' CG2' HG12 ' G' ' 18' ' ' VAL . 34.6 m -120.53 123.02 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 71.230000000000004 111.16 179.791 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.699 ' CE2' HD23 ' I' ' 34' ' ' LEU . 2.4 m-85 -114.28 130.31 56.65 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 73.109999999999999 110.859 -179.975 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 2.1 m-85 62.08 66.49 0.81 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.139 -0.482 . . . . 64.310000000000002 110.906 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.54 113.75 27.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.166 -0.47 . . . . 62.130000000000003 111.091 179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 64.6 109.9 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 74.340000000000003 110.848 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.722 HG21 ' ND2' ' H' ' 27' ' ' ASN . 6.3 p -151.52 133.02 5.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 53.509999999999998 111.131 179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -64.55 -71.84 0.8 Allowed Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.756 -0.735 . . . . 63.149999999999999 112.472 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -144.23 123.59 13.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.899 0.381 . . . . 64.209999999999994 110.844 -179.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . 0.722 ' ND2' HG21 ' H' ' 24' ' ' VAL . 2.2 m120 -98.71 114.73 27.36 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.113 -0.494 . . . . 72.310000000000002 110.856 -179.965 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 mmtp -114.4 167.41 10.74 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 71.510000000000005 110.902 179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . 0.44 ' HA2' ' CA ' ' C' ' 3' ' ' GLU . . . 50.8 -149.46 6.84 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.748 -0.739 . . . . 74.120000000000005 112.508 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . 0.505 ' HB2' ' CE1' ' C' ' 4' ' ' PHE . . . -86.76 114.55 23.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.754 0.312 . . . . 70.120000000000005 111.068 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.443 ' HB ' HG23 ' I' ' 31' ' ' ILE . 0.7 OUTLIER -123.84 126.18 72.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 64.120000000000005 111.137 179.967 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . 0.489 HG21 ' HB2' ' H' ' 35' ' ' MET . 3.3 mp -128.23 117.66 46.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.186 -0.461 . . . . 71.239999999999995 111.139 179.843 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -88.39 -28.4 22.44 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 53.439999999999998 112.545 179.845 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.924 HD12 HD22 ' I' ' 34' ' ' LEU . 2.9 tm? -151.08 107.49 3.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.828 0.347 . . . . 65.140000000000001 110.881 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . 0.489 ' HB2' HG21 ' H' ' 32' ' ' ILE . 2.9 ttp -124.76 123.98 41.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 53.219999999999999 110.861 179.866 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 39.5 t -114.34 111.08 34.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.25 -0.432 . . . . 75.439999999999998 111.121 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.69 25.59 22.34 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.779 -0.724 . . . . 43.450000000000003 112.494 -179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.33 -172.95 47.17 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.759 -0.734 . . . . 44.140000000000001 112.474 -179.895 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.879 HG23 HG13 ' G' ' 39' ' ' VAL . 4.5 p -169.58 145.01 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.844 0.354 . . . . 64.439999999999998 111.177 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . 0.598 HG22 HG12 ' G' ' 40' ' ' VAL . 22.4 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.149 -0.478 . . . . 72.430000000000007 111.11 179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 42.0 m-20 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.804 0.335 . . . . 74.340000000000003 110.894 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.41 78.75 1.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 75.430000000000007 111.135 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -51.74 -53.56 38.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.236 -0.438 . . . . 43.200000000000003 110.913 -179.936 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 4' ' ' PHE . . . . . 0.47 ' CE1' ' HB2' ' D' ' 30' ' ' ALA . 0.4 OUTLIER -136.43 115.39 12.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 73.140000000000001 110.827 -179.926 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -120.22 108.92 14.79 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 74.340000000000003 110.867 -179.94 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -111.27 111.33 22.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.188 -0.46 . . . . 65.200000000000003 110.866 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -119.05 101.52 8.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.2 -0.455 . . . . 73.230000000000004 110.864 179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . 0.439 ' HA ' ' O ' ' H' ' 8' ' ' SER . 2.7 p -153.36 174.75 13.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 42.420000000000002 110.87 -179.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.33 -3.89 44.11 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.722 -0.751 . . . . 71.150000000000006 112.477 179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.2 115.15 0.33 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.853 0.358 . . . . 73.549999999999997 110.913 -179.8 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -109.59 120.09 41.42 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.127 -0.488 . . . . 64.040000000000006 110.919 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . 0.746 HG12 HG22 ' J' ' 12' ' ' VAL . 19.7 m -131.2 132.45 63.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.186 -0.461 . . . . 72.239999999999995 111.107 179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 31.9 m170 -130.54 117.6 19.82 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 73.209999999999994 110.866 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 37.3 m-70 -123.64 121.15 34.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.17 -0.468 . . . . 70.430000000000007 110.886 -179.972 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 8.3 pt20 -124.1 133.28 53.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.26 -0.427 . . . . 71.040000000000006 110.885 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . 0.525 ' O ' HD22 ' I' ' 17' ' ' LEU . 12.4 tptm -124.55 115.9 21.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 53.509999999999998 110.905 179.918 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.525 HD22 ' O ' ' I' ' 16' ' ' LYS . 4.1 mm? -123.69 110.32 14.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.252 -0.431 . . . . 72.329999999999998 110.955 179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . 0.714 HG12 ' CG2' ' J' ' 18' ' ' VAL . 34.9 m -120.84 123.66 70.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.164 -0.471 . . . . 72.549999999999997 111.087 179.93 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . 0.686 ' CE2' HD23 ' J' ' 34' ' ' LEU . 2.2 m-85 -112.88 129.0 56.61 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.456 . . . . 75.040000000000006 110.877 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 61.63 67.54 0.76 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 61.539999999999999 110.906 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.48 114.61 28.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 72.239999999999995 111.073 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 64.37 109.43 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.19 -0.459 . . . . 74.519999999999996 110.854 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.721 HG21 ' ND2' ' I' ' 27' ' ' ASN . 7.0 p -151.75 132.86 4.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 71.409999999999997 111.181 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.43 -70.89 0.98 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.749 -0.739 . . . . 73.030000000000001 112.511 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -144.63 123.27 12.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.909 0.385 . . . . 74.420000000000002 110.828 -179.741 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . 0.721 ' ND2' HG21 ' I' ' 24' ' ' VAL . 2.3 m120 -98.17 114.31 26.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 70.0 110.901 179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 4.7 mmtp -114.41 167.34 10.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 65.040000000000006 110.902 179.902 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . 0.441 ' HA2' ' CA ' ' D' ' 3' ' ' GLU . . . 51.09 -149.59 7.18 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.708 -0.758 . . . . 73.439999999999998 112.538 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.522 ' HB2' ' CE1' ' D' ' 4' ' ' PHE . . . -87.23 113.83 23.3 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.819 0.342 . . . . 72.25 111.054 -179.991 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.443 HG23 ' HB ' ' H' ' 31' ' ' ILE . 0.6 OUTLIER -123.7 125.84 71.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.161 -0.472 . . . . 70.040000000000006 111.146 179.962 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . 0.457 HG21 ' HB2' ' I' ' 35' ' ' MET . 3.4 mp -128.28 117.58 45.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 70.200000000000003 111.162 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -89.52 -27.6 21.91 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.709 -0.758 . . . . 61.140000000000001 112.479 179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.955 HD12 HD22 ' J' ' 34' ' ' LEU . 3.1 tm? -149.82 106.35 3.51 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.835 0.35 . . . . 74.129999999999995 110.947 -179.959 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . 0.457 ' HB2' HG21 ' I' ' 32' ' ' ILE . 2.9 ttp -123.78 123.26 40.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 45.530000000000001 110.854 179.881 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 39.6 t -115.09 110.29 31.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.46 . . . . 74.409999999999997 111.125 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.37 25.52 19.83 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.734 -0.746 . . . . 71.420000000000002 112.524 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.01 -172.48 46.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.751 -0.738 . . . . 62.439999999999998 112.478 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 0.876 HG23 HG13 ' H' ' 39' ' ' VAL . 4.5 p -169.53 145.51 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.912 0.387 . . . . 74.219999999999999 111.152 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . 0.52 HG22 HG12 ' H' ' 40' ' ' VAL . 21.9 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.194 -0.457 . . . . 71.420000000000002 111.125 179.934 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 41.2 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.824 0.345 . . . . 74.310000000000002 110.877 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -105.58 78.92 1.4 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.219 -0.446 . . . . 52.310000000000002 111.092 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -51.82 -53.67 37.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 70.109999999999999 110.894 -179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 4' ' ' PHE . . . . . 0.479 ' CE1' ' HB2' ' E' ' 30' ' ' ALA . 0.4 OUTLIER -135.67 115.63 13.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.467 . . . . 75.120000000000005 110.887 -179.937 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -119.79 108.54 14.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.121 -0.49 . . . . 74.219999999999999 110.871 -179.9 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -111.41 111.82 23.13 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 63.340000000000003 110.83 179.994 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 5.6 t70 -117.91 101.11 8.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 51.32 110.861 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -155.6 169.17 24.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 73.140000000000001 110.885 -179.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.8 -2.84 46.25 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.71 -0.757 . . . . 74.430000000000007 112.455 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -169.69 111.86 0.47 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.894 0.378 . . . . 63.140000000000001 110.895 -179.815 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 29.9 tt0 -112.21 120.07 40.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 71.329999999999998 110.868 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.746 HG22 HG12 ' I' ' 12' ' ' VAL . 21.6 m -130.22 132.84 64.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 62.140000000000001 111.135 179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -129.81 116.71 19.12 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.165 -0.47 . . . . 72.109999999999999 110.811 179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 37.6 m-70 -121.59 121.33 37.17 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.174 -0.467 . . . . 74.340000000000003 110.808 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 8.2 pt20 -123.98 134.28 53.51 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 73.140000000000001 110.901 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . 0.521 ' O ' HD22 ' J' ' 17' ' ' LEU . 12.2 tptm -124.77 115.44 20.71 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 74.340000000000003 110.928 179.945 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.521 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.2 mm? -124.31 108.92 12.73 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.209 -0.45 . . . . 72.319999999999993 110.915 179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.714 ' CG2' HG12 ' I' ' 18' ' ' VAL . 27.2 m -119.05 124.06 72.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 72.140000000000001 111.142 179.849 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.496 ' HE1' HD12 ' J' ' 17' ' ' LEU . 1.8 m-85 -111.6 127.5 55.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 74.140000000000001 110.866 -179.956 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 3.3 m-85 60.47 68.56 0.75 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.101 -0.499 . . . . 71.409999999999997 110.917 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.85 115.33 30.12 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.156 -0.475 . . . . 52.130000000000003 111.145 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 5.9 m-20 64.23 108.92 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.237 -0.438 . . . . 74.299999999999997 110.867 179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.727 HG21 ' ND2' ' J' ' 27' ' ' ASN . 7.6 p -151.6 132.56 4.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 73.25 111.143 -179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -65.5 -71.18 0.93 Allowed Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.723 -0.751 . . . . 61.109999999999999 112.467 -180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 2.9 m -143.78 122.86 12.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.899 0.38 . . . . 72.310000000000002 110.865 -179.734 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . 0.727 ' ND2' HG21 ' J' ' 24' ' ' VAL . 2.3 m120 -98.08 113.15 24.94 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.105 -0.498 . . . . 72.140000000000001 110.915 -179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 mmtp -114.51 167.14 10.99 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.25 -0.432 . . . . 72.420000000000002 110.921 179.904 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . 0.447 ' HA2' ' CA ' ' E' ' 3' ' ' GLU . . . 51.66 -149.27 8.63 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.737 -0.744 . . . . 62.25 112.462 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 0.534 ' HB2' ' CE1' ' E' ' 4' ' ' PHE . . . -87.49 113.42 23.17 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.744 0.307 . . . . 63.009999999999998 111.136 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -123.23 126.5 73.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 70.540000000000006 111.117 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . 0.454 HG21 ' HB2' ' J' ' 35' ' ' MET . 3.4 mp -130.15 116.32 36.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.484 . . . . 74.409999999999997 111.104 179.86 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -91.03 -24.48 27.1 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.755 -0.736 . . . . 55.210000000000001 112.445 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.955 HD22 HD12 ' I' ' 34' ' ' LEU . 3.4 tm? -150.75 106.05 3.35 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.822 0.344 . . . . 74.420000000000002 110.957 -179.942 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . 0.454 ' HB2' HG21 ' J' ' 32' ' ' ILE . 2.9 ttp -124.96 124.27 41.66 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.166 -0.47 . . . . 61.43 110.841 179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 38.4 t -118.05 109.82 28.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.24 -0.436 . . . . 61.219999999999999 111.125 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.63 24.75 26.15 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.725 -0.75 . . . . 54.140000000000001 112.514 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.7 -173.35 45.58 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.742 -0.742 . . . . 22.510000000000002 112.527 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.867 HG23 HG13 ' I' ' 39' ' ' VAL . 4.4 p -169.56 145.02 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.871 0.367 . . . . 73.040000000000006 111.101 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.438 HG22 HG12 ' I' ' 40' ' ' VAL . 22.6 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.129 -0.487 . . . . 74.519999999999996 111.146 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.796 0.331 . . . . 70.209999999999994 110.862 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.09 86.66 2.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 74.129999999999995 111.103 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.74 -30.13 30.86 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.213 -0.449 . . . . 74.519999999999996 110.953 -179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.646 ' CE2' ' HB2' ' F' ' 30' ' ' ALA . 0.3 OUTLIER -161.39 114.8 1.93 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.111 -0.495 . . . . 63.340000000000003 110.886 -179.958 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -135.6 108.99 7.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.121 -0.491 . . . . 51.109999999999999 110.885 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 11.4 t60 -109.46 128.82 55.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.211 -0.45 . . . . 72.430000000000007 110.82 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -133.43 101.95 5.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.444 . . . . 74.450000000000003 110.883 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.4 t -147.61 176.68 9.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 72.299999999999997 110.879 -179.776 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.33 -10.07 56.2 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.726 -0.749 . . . . 63.219999999999999 112.497 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -172.47 116.91 0.34 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.805 0.336 . . . . 53.0 110.942 -179.804 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -102.12 119.02 38.11 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.101 -0.5 . . . . 64.010000000000005 110.882 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.493 HG23 HG13 ' B' ' 12' ' ' VAL . 4.2 p -139.4 118.56 12.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 74.439999999999998 111.108 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -117.11 114.09 23.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 71.230000000000004 110.846 179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -119.34 122.62 42.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 74.030000000000001 110.867 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.31 134.36 46.28 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 72.450000000000003 110.88 -179.928 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.0 tptm -132.49 119.59 20.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.139 -0.482 . . . . 72.340000000000003 110.885 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.581 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.4 mm? -121.39 110.49 16.16 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.234 -0.439 . . . . 73.209999999999994 110.91 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.606 ' CG1' ' HB2' ' A' ' 21' ' ' ALA . 88.1 t -113.48 112.21 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.209 -0.45 . . . . 73.319999999999993 111.134 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.556 ' HE1' HD12 ' A' ' 17' ' ' LEU . 7.7 m-85 -104.85 105.03 14.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.479 . . . . 52.420000000000002 110.863 -179.967 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.562 ' CE2' HG22 ' A' ' 31' ' ' ILE . 0.9 OUTLIER 64.14 89.17 0.09 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 52.009999999999998 110.924 -179.919 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.606 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . . . -116.15 132.21 56.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.119 -0.492 . . . . 74.219999999999999 111.066 179.997 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 62.37 90.86 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.226 -0.443 . . . . 73.010000000000005 110.881 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.595 HG13 HG23 ' B' ' 24' ' ' VAL . 6.1 p -129.38 130.7 67.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.158 -0.473 . . . . 62.229999999999997 111.138 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.68 -53.1 48.13 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 64.129999999999995 112.5 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.71 129.93 6.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.868 0.366 . . . . 71.340000000000003 110.873 -179.718 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.593 ' HB3' HD12 ' B' ' 31' ' ' ILE . 18.9 m120 -95.97 106.94 19.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.124 -0.489 . . . . 71.420000000000002 110.856 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.723 ' O ' HD11 ' A' ' 31' ' ' ILE . 0.8 OUTLIER -114.67 135.79 53.76 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.472 . . . . 63.399999999999999 110.908 179.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.78 -149.76 38.6 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.767 -0.73 . . . . 73.430000000000007 112.512 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.697 ' O ' HD13 ' A' ' 31' ' ' ILE . . . -83.83 114.3 21.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.749 0.309 . . . . 70.150000000000006 111.127 179.945 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.723 HD11 ' O ' ' A' ' 28' ' ' LYS . 5.4 mm -126.87 114.86 39.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 74.129999999999995 111.15 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.491 HG21 ' CG ' ' A' ' 35' ' ' MET . 6.1 mt -134.68 121.23 34.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.17 -0.468 . . . . 64.099999999999994 111.113 179.87 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.65 -44.15 68.84 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.765 -0.731 . . . . 63.130000000000003 112.508 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.703 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -173.49 148.86 1.61 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.826 0.346 . . . . 64.150000000000006 110.94 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.491 ' CG ' HG21 ' A' ' 32' ' ' ILE . 59.6 mtp -128.14 123.46 34.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 72.099999999999994 110.886 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.871 HG21 HG11 ' F' ' 36' ' ' VAL . 99.9 t -118.38 114.66 45.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 53.43 111.117 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.29 19.81 62.38 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.704 -0.76 . . . . 51.25 112.521 -179.973 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.75 -162.84 29.01 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.733 -0.746 . . . . 71.120000000000005 112.483 -179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.887 HG13 HG23 ' B' ' 39' ' ' VAL . 7.6 p -169.26 136.83 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.882 0.372 . . . . 75.420000000000002 111.126 -179.979 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.429 HG12 ' CG2' ' B' ' 40' ' ' VAL . 16.4 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.477 . . . . 53.420000000000002 111.171 179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.764 0.316 . . . . 63.100000000000001 110.881 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.47 86.92 2.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.453 . . . . 30.109999999999999 111.074 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.34 -29.14 22.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 74.209999999999994 110.897 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.636 ' CE2' ' HB2' ' G' ' 30' ' ' ALA . 0.3 OUTLIER -161.8 114.94 1.84 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 72.540000000000006 110.88 -179.968 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -134.57 108.61 8.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.14 -0.482 . . . . 71.239999999999995 110.861 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 9.7 t60 -109.13 128.43 55.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 65.120000000000005 110.828 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -132.69 101.77 5.42 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.221 -0.445 . . . . 74.530000000000001 110.917 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' C' ' 8' ' ' SER . 2.5 t -147.44 176.02 10.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 61.329999999999998 110.858 -179.723 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.49 -10.45 55.63 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.742 -0.742 . . . . 72.230000000000004 112.534 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -172.37 115.07 0.32 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.898 0.38 . . . . 72.510000000000005 110.901 -179.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 tp10 -101.31 118.63 37.36 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 61.240000000000002 110.842 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.493 HG13 HG23 ' A' ' 12' ' ' VAL . 3.4 p -138.33 116.97 13.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 41.509999999999998 111.125 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -115.72 113.56 23.64 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.182 -0.463 . . . . 71.25 110.897 179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -118.47 123.04 44.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 74.540000000000006 110.873 -179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.0 133.26 45.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.264 -0.426 . . . . 73.219999999999999 110.871 -179.909 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.428 ' C ' HD22 ' B' ' 17' ' ' LEU . 7.6 tptm -127.16 122.11 33.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.212 -0.449 . . . . 61.520000000000003 110.904 179.92 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.649 ' HB2' HD13 ' C' ' 17' ' ' LEU . 4.5 mm? -121.35 108.8 14.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 65.519999999999996 110.938 179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.455 ' CG1' ' HB2' ' B' ' 21' ' ' ALA . 91.5 t -112.3 113.3 43.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.174 -0.466 . . . . 71.129999999999995 111.091 179.868 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.555 ' CE1' HD12 ' B' ' 17' ' ' LEU . 6.4 m-85 -108.73 100.94 10.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.149 -0.478 . . . . 75.430000000000007 110.888 -179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.592 ' CE2' HG22 ' B' ' 31' ' ' ILE . 1.0 OUTLIER 63.92 89.53 0.09 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 71.420000000000002 110.868 -179.924 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.455 ' HB2' ' CG1' ' B' ' 18' ' ' VAL . . . -115.53 131.37 56.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 72.549999999999997 111.146 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 61.85 90.78 0.07 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.202 -0.454 . . . . 64.010000000000005 110.947 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.626 HG13 HG23 ' C' ' 24' ' ' VAL . 5.7 p -128.62 130.89 69.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 73.049999999999997 111.174 -179.957 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.94 -53.02 48.61 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.73 -0.748 . . . . 60.219999999999999 112.489 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.35 130.45 6.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.868 0.366 . . . . 71.140000000000001 110.881 -179.707 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.601 ' HB3' HD12 ' C' ' 31' ' ' ILE . 19.0 m120 -96.63 106.07 18.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 72.010000000000005 110.948 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.724 ' O ' HD11 ' B' ' 31' ' ' ILE . 0.7 OUTLIER -115.1 136.43 53.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 75.310000000000002 110.895 179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.59 -149.29 36.54 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 70.430000000000007 112.496 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.714 ' O ' HD13 ' B' ' 31' ' ' ILE . . . -84.26 114.4 21.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.725 0.297 . . . . 71.239999999999995 111.066 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.724 HD11 ' O ' ' B' ' 28' ' ' LYS . 5.0 mm -127.26 116.56 44.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.194 -0.457 . . . . 74.349999999999994 111.138 179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.409 HG21 ' HG2' ' B' ' 35' ' ' MET . 5.4 mt -134.3 124.02 44.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 70.299999999999997 111.097 179.855 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.56 -42.8 77.54 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.74 -0.743 . . . . 32.399999999999999 112.529 179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.76 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -172.05 150.38 2.51 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.825 0.345 . . . . 71.310000000000002 110.936 -179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.473 ' CE ' HG13 ' B' ' 40' ' ' VAL . 50.2 mtp -127.7 124.46 37.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.199 -0.455 . . . . 62.539999999999999 110.872 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.683 HG21 HG11 ' G' ' 36' ' ' VAL . 98.3 t -126.78 112.83 30.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.239 -0.437 . . . . 73.420000000000002 111.082 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.27 19.12 59.25 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 75.340000000000003 112.507 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.17 -163.89 29.74 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.724 -0.751 . . . . 73.129999999999995 112.446 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.887 HG23 HG13 ' A' ' 39' ' ' VAL . 7.6 p -169.19 133.33 0.35 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.872 0.368 . . . . 62.439999999999998 111.133 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.588 HG12 ' CG2' ' C' ' 40' ' ' VAL . 16.9 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 62.409999999999997 111.095 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.789 0.328 . . . . 70.530000000000001 110.876 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.95 86.48 2.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.231 -0.441 . . . . 24.41 111.129 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.63 -29.2 24.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 62.219999999999999 110.891 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . 0.622 ' CE2' ' HB2' ' H' ' 30' ' ' ALA . 0.3 OUTLIER -162.0 114.7 1.76 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 64.109999999999999 110.889 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -134.0 108.55 8.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 74.420000000000002 110.908 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -109.61 128.12 55.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.207 -0.452 . . . . 65.120000000000005 110.894 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -132.39 101.71 5.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.202 -0.454 . . . . 73.420000000000002 110.875 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' B' ' 8' ' ' SER . 2.6 t -147.35 175.5 10.74 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.225 -0.443 . . . . 72.230000000000004 110.838 -179.765 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.85 -9.98 55.67 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.715 -0.755 . . . . 61.130000000000003 112.508 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -172.41 115.38 0.32 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.859 0.362 . . . . 74.430000000000007 110.914 -179.89 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -101.86 119.28 38.54 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.113 -0.494 . . . . 71.099999999999994 110.926 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.5 HG23 HG13 ' D' ' 12' ' ' VAL . 3.8 p -138.09 117.67 15.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 75.010000000000005 111.126 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -116.4 113.44 22.89 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.174 -0.466 . . . . 73.109999999999999 110.823 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -117.81 123.72 46.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 54.130000000000003 110.851 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.29 132.98 44.94 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.164 -0.471 . . . . 71.349999999999994 110.898 -179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.474 ' C ' HD22 ' C' ' 17' ' ' LEU . 8.0 tptm -124.94 122.38 37.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 71.109999999999999 110.873 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.657 ' HB2' HD13 ' D' ' 17' ' ' LEU . 4.5 mm? -122.9 106.6 11.01 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.235 -0.439 . . . . 71.420000000000002 110.919 179.89 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.437 ' CG1' ' HB2' ' C' ' 21' ' ' ALA . 91.3 t -111.83 113.46 44.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 72.540000000000006 111.117 179.846 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.507 ' CE1' HD12 ' C' ' 17' ' ' LEU . 4.9 m-85 -108.37 99.52 8.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 72.430000000000007 110.91 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.591 ' CE2' HG22 ' C' ' 31' ' ' ILE . 1.0 OUTLIER 63.63 90.38 0.08 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.119 -0.491 . . . . 74.299999999999997 110.891 -179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.437 ' HB2' ' CG1' ' C' ' 18' ' ' VAL . . . -116.07 130.69 56.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 75.129999999999995 111.105 179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 62.03 90.43 0.07 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 61.009999999999998 110.853 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.647 HG13 HG23 ' D' ' 24' ' ' VAL . 6.2 p -128.18 131.22 69.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.182 -0.463 . . . . 74.010000000000005 111.145 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.4 -52.89 48.46 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.721 -0.752 . . . . 42.420000000000002 112.51 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.41 130.77 6.97 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.868 0.366 . . . . 55.43 110.874 -179.756 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.618 ' HB3' HD12 ' D' ' 31' ' ' ILE . 19.2 m120 -96.74 105.61 17.75 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 71.450000000000003 110.906 -179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.738 ' O ' HD11 ' C' ' 31' ' ' ILE . 0.7 OUTLIER -115.21 136.67 52.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 74.150000000000006 110.887 179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.02 -149.85 36.63 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.702 -0.761 . . . . 74.099999999999994 112.542 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.71 ' O ' HD13 ' C' ' 31' ' ' ILE . . . -83.39 114.33 21.37 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.755 0.312 . . . . 63.340000000000003 111.101 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.738 HD11 ' O ' ' C' ' 28' ' ' LYS . 4.6 mm -127.4 116.88 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.188 -0.46 . . . . 74.420000000000002 111.142 179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.42 HG21 ' HG2' ' C' ' 35' ' ' MET . 5.0 mt -133.24 124.05 48.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 74.200000000000003 111.137 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.54 -42.51 76.4 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 74.230000000000004 112.519 179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.816 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -170.53 150.39 3.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.838 0.352 . . . . 70.439999999999998 110.889 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.42 ' HG2' HG21 ' C' ' 32' ' ' ILE . 48.5 mtp -126.97 123.67 37.67 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 73.299999999999997 110.89 179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.574 HG21 HG11 ' H' ' 36' ' ' VAL . 85.8 t -127.9 113.0 29.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.222 -0.444 . . . . 72.439999999999998 111.107 179.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.7 20.58 40.0 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.704 -0.76 . . . . 52.43 112.522 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.36 -164.6 32.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.785 -0.721 . . . . 74.329999999999998 112.544 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.719 HG23 HG13 ' B' ' 39' ' ' VAL . 7.6 p -168.64 133.38 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.891 0.377 . . . . 72.219999999999999 111.152 -179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.588 ' CG2' HG12 ' B' ' 40' ' ' VAL . 17.1 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.468 . . . . 70.150000000000006 111.142 179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.86 0.362 . . . . 71.040000000000006 110.895 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.53 85.69 2.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 73.030000000000001 111.065 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.04 -28.99 27.25 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 44.210000000000001 110.881 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . 0.617 ' CE2' ' HB2' ' I' ' 30' ' ' ALA . 0.3 OUTLIER -162.08 114.75 1.75 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.477 . . . . 75.540000000000006 110.867 -179.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -133.84 108.77 8.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.474 . . . . 74.019999999999996 110.896 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 10.9 t60 -110.55 128.02 55.46 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 74.450000000000003 110.819 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -131.75 101.95 5.68 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.184 -0.462 . . . . 64.219999999999999 110.858 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' C' ' 8' ' ' SER . 2.5 t -147.98 174.44 11.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.243 -0.435 . . . . 70.010000000000005 110.878 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.66 -9.63 54.42 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.726 -0.75 . . . . 73.420000000000002 112.5 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -172.1 114.61 0.33 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.853 0.358 . . . . 75.239999999999995 110.931 -179.794 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -102.66 119.67 39.23 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 75.299999999999997 110.867 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.5 HG13 HG23 ' C' ' 12' ' ' VAL . 4.3 p -137.33 117.95 16.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 72.140000000000001 111.138 179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -116.45 113.83 23.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 74.150000000000006 110.883 179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -117.5 124.1 47.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.247 -0.433 . . . . 64.099999999999994 110.83 -179.947 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.25 133.25 45.26 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 74.040000000000006 110.895 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.519 ' O ' HD22 ' D' ' 17' ' ' LEU . 8.2 tptm -124.31 120.72 32.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 72.299999999999997 110.944 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.657 HD13 ' HB2' ' C' ' 17' ' ' LEU . 4.4 mm? -124.01 105.51 9.64 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.275 -0.42 . . . . 73.219999999999999 110.95 179.907 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.494 ' CG1' ' HB2' ' D' ' 21' ' ' ALA . 84.2 t -111.68 114.39 46.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.164 -0.471 . . . . 73.230000000000004 111.149 179.833 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.478 ' HE1' HD12 ' D' ' 17' ' ' LEU . 4.1 m-30 -106.46 98.05 7.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.172 -0.467 . . . . 62.149999999999999 110.914 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.596 ' CE2' HG22 ' D' ' 31' ' ' ILE . 1.0 OUTLIER 63.8 91.3 0.07 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.102 -0.499 . . . . 72.120000000000005 110.869 -179.907 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . 0.494 ' HB2' ' CG1' ' D' ' 18' ' ' VAL . . . -117.1 131.2 56.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.176 -0.465 . . . . 64.530000000000001 111.113 179.925 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 62.22 90.3 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.236 -0.438 . . . . 73.310000000000002 110.873 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.647 HG23 HG13 ' C' ' 24' ' ' VAL . 5.8 p -129.02 131.33 68.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.164 -0.471 . . . . 74.540000000000006 111.082 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.8 -53.08 46.14 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.748 -0.739 . . . . 23.52 112.488 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.31 130.9 7.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.879 0.371 . . . . 72.400000000000006 110.854 -179.747 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.529 ' HB3' HD12 ' E' ' 31' ' ' ILE . 19.7 m120 -95.77 105.96 18.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.145 -0.479 . . . . 74.450000000000003 110.86 -179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.732 ' O ' HD11 ' D' ' 31' ' ' ILE . 0.8 OUTLIER -116.05 136.65 52.83 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 60.409999999999997 110.896 179.895 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.39 -149.42 35.39 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.758 -0.734 . . . . 73.230000000000004 112.505 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.687 ' O ' HD13 ' D' ' 31' ' ' ILE . . . -83.76 114.62 21.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.802 0.335 . . . . 53.420000000000002 111.064 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.732 HD11 ' O ' ' D' ' 28' ' ' LYS . 4.3 mm -127.14 117.71 48.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.218 -0.446 . . . . 71.329999999999998 111.1 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.434 HG21 ' HG2' ' D' ' 35' ' ' MET . 4.8 mt -132.09 126.53 56.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 75.540000000000006 111.135 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.12 -42.12 95.0 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.734 -0.746 . . . . 43.329999999999998 112.464 179.905 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.724 HD22 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -170.66 146.61 2.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 71.209999999999994 110.932 -179.888 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.476 ' HE1' HG13 ' D' ' 40' ' ' VAL . 50.9 mtp -124.37 122.14 36.87 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.188 -0.46 . . . . 64.219999999999999 110.858 179.856 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.545 HG21 HG11 ' I' ' 36' ' ' VAL . 96.1 t -128.73 111.6 23.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.245 -0.434 . . . . 72.319999999999993 111.116 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.68 20.94 41.3 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.729 -0.748 . . . . 72.310000000000002 112.486 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.08 -164.34 31.13 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 74.109999999999999 112.501 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.676 HG23 HG13 ' C' ' 39' ' ' VAL . 7.3 p -168.93 135.85 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.879 0.371 . . . . 71.25 111.141 -179.937 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.476 HG13 ' HE1' ' D' ' 35' ' ' MET . 18.1 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 71.349999999999994 111.105 179.925 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.812 0.339 . . . . 71.439999999999998 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.6 86.9 2.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 42.32 111.136 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.51 -29.26 24.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.205 -0.452 . . . . 64.230000000000004 110.934 -179.933 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' J' ' 30' ' ' ALA . 0.3 OUTLIER -160.71 115.25 2.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.1 -0.5 . . . . 73.519999999999996 110.812 -179.945 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -133.55 108.08 8.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.128 -0.487 . . . . 63.119999999999997 110.881 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -111.15 128.25 55.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 74.209999999999994 110.827 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -130.44 101.57 5.79 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.196 -0.456 . . . . 75.329999999999998 110.875 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 2.4 t -147.9 169.83 18.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.252 -0.431 . . . . 73.319999999999993 110.844 -179.732 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.4 -8.99 57.17 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.786 -0.721 . . . . 43.350000000000001 112.443 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -170.6 111.64 0.39 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.87 0.367 . . . . 75.150000000000006 110.924 -179.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -103.45 119.7 39.4 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.1 -0.5 . . . . 74.030000000000001 110.874 -179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . 0.479 HG13 HG23 ' D' ' 12' ' ' VAL . 4.5 p -137.29 118.73 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 73.340000000000003 111.126 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -116.38 113.49 22.97 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.221 -0.445 . . . . 72.299999999999997 110.832 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -116.42 125.52 52.14 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 62.310000000000002 110.896 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.51 134.89 46.6 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 71.299999999999997 110.92 -179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . 0.547 ' O ' HD22 ' E' ' 17' ' ' LEU . 8.2 tptm -124.26 119.83 30.46 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.204 -0.453 . . . . 70.209999999999994 110.9 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.55 HD12 ' HE1' ' E' ' 19' ' ' PHE . 4.3 mm? -126.01 106.91 9.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.23 -0.441 . . . . 62.420000000000002 110.887 179.93 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.534 ' CG1' ' HB2' ' E' ' 21' ' ' ALA . 87.3 t -112.06 118.4 57.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.461 . . . . 74.120000000000005 111.145 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.55 ' HE1' HD12 ' E' ' 17' ' ' LEU . 4.3 m-85 -106.59 95.91 6.08 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.122 -0.49 . . . . 74.200000000000003 110.861 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.602 ' CE2' HG22 ' E' ' 31' ' ' ILE . 0.6 OUTLIER 62.98 91.33 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.12 -0.491 . . . . 72.319999999999993 110.908 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . 0.534 ' HB2' ' CG1' ' E' ' 18' ' ' VAL . . . -115.55 132.09 56.73 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 74.540000000000006 111.122 179.951 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 61.63 91.07 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 62.240000000000002 110.88 179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.576 HG23 HG13 ' D' ' 24' ' ' VAL . 6.2 p -129.91 130.53 66.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 53.229999999999997 111.107 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.55 -52.57 47.94 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.656 -0.783 . . . . 55.530000000000001 112.511 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.39 131.78 7.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 61.32 110.87 -179.776 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.473 ' ND2' HG21 ' E' ' 24' ' ' VAL . 21.5 m120 -95.55 103.88 15.77 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.139 -0.482 . . . . 71.430000000000007 110.83 -179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . 0.693 ' O ' HD11 ' E' ' 31' ' ' ILE . 0.8 OUTLIER -116.09 137.48 52.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 75.25 110.896 179.849 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.56 -149.64 33.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.708 -0.758 . . . . 53.130000000000003 112.511 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.627 ' O ' HD13 ' E' ' 31' ' ' ILE . . . -83.59 115.03 21.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.763 0.316 . . . . 63.530000000000001 111.079 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.693 HD11 ' O ' ' E' ' 28' ' ' LYS . 4.0 mm -124.48 116.83 48.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.221 -0.445 . . . . 60.329999999999998 111.1 179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.506 HG21 ' CG ' ' E' ' 35' ' ' MET . 5.2 mt -125.91 122.28 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.103 -0.499 . . . . 74.230000000000004 111.123 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.31 -36.68 91.54 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.748 -0.739 . . . . 74.200000000000003 112.451 179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.668 ' C ' HD22 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -171.06 148.02 2.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.792 0.33 . . . . 75.230000000000004 110.944 -179.934 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.506 ' CG ' HG21 ' E' ' 32' ' ' ILE . 58.5 mtp -128.0 119.9 26.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 73.510000000000005 110.881 179.838 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.447 HG21 HG11 ' J' ' 36' ' ' VAL . 98.4 t -133.63 109.79 13.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.226 -0.443 . . . . 62.43 111.107 -179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.68 21.79 16.0 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.699 -0.763 . . . . 73.310000000000002 112.48 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.53 -163.96 30.52 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.746 -0.74 . . . . 70.340000000000003 112.519 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.52 HG23 HG13 ' D' ' 39' ' ' VAL . 7.4 p -169.22 136.26 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-O 120.904 0.383 . . . . 71.409999999999997 111.124 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 17.5 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 54.539999999999999 111.118 179.938 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.821 0.343 . . . . 72.049999999999997 110.913 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.81 86.92 2.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.455 . . . . 63.030000000000001 111.099 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.51 -30.08 28.49 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 75.219999999999999 110.895 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . 0.664 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -161.03 115.23 2.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 62.329999999999998 110.863 -179.951 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -135.37 108.97 7.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.47 . . . . 71.400000000000006 110.898 -179.939 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -109.63 128.42 55.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.172 -0.467 . . . . 75.230000000000004 110.888 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -133.23 102.03 5.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.236 -0.438 . . . . 55.200000000000003 110.884 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 2.5 t -147.09 176.37 9.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 75.219999999999999 110.869 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.01 -10.17 56.49 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.737 -0.744 . . . . 65.099999999999994 112.507 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -172.37 117.48 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 74.140000000000001 110.882 -179.797 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -102.2 118.88 37.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.063 -0.517 . . . . 75.439999999999998 110.888 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.508 HG23 HG13 ' G' ' 12' ' ' VAL . 4.4 p -139.67 119.18 13.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 73.349999999999994 111.175 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 65.3 m170 -117.13 114.85 24.29 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 70.099999999999994 110.897 179.935 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -118.71 122.44 42.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.251 -0.432 . . . . 72.310000000000002 110.878 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.09 133.15 44.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 72.219999999999999 110.941 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 7.8 tptm -132.98 119.27 19.88 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.188 -0.46 . . . . 70.5 110.861 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.555 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.4 mm? -121.72 111.27 16.96 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 55.439999999999998 110.972 179.88 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.641 ' CG1' ' HB2' ' F' ' 21' ' ' ALA . 89.0 t -114.37 112.03 38.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 63.219999999999999 111.162 179.837 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.543 ' HE1' HD12 ' F' ' 17' ' ' LEU . 8.1 m-85 -103.98 105.23 15.34 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 74.530000000000001 110.872 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . 0.572 ' CE2' HG22 ' F' ' 31' ' ' ILE . 0.9 OUTLIER 64.28 88.6 0.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.146 -0.479 . . . . 71.329999999999998 110.894 -179.959 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . 0.641 ' HB2' ' CG1' ' F' ' 18' ' ' VAL . . . -115.75 132.0 56.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 64.25 111.126 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 62.78 90.98 0.07 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.24 -0.436 . . . . 75.430000000000007 110.863 179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.592 HG13 HG23 ' G' ' 24' ' ' VAL . 6.5 p -129.49 130.72 67.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.17 -0.468 . . . . 71.329999999999998 111.139 179.986 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.78 -52.93 49.36 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.718 -0.753 . . . . 35.240000000000002 112.505 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.5 129.68 6.41 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-O 120.895 0.379 . . . . 71.340000000000003 110.826 -179.749 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . 0.563 ' HB3' HD12 ' G' ' 31' ' ' ILE . 18.3 m120 -96.03 105.92 18.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 74.400000000000006 110.911 179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . 0.74 ' O ' HD11 ' F' ' 31' ' ' ILE . 0.8 OUTLIER -114.25 136.53 52.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.159 -0.473 . . . . 54.049999999999997 110.897 179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 75.82 -151.08 40.47 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.774 -0.726 . . . . 74.140000000000001 112.518 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.653 ' O ' HD13 ' F' ' 31' ' ' ILE . . . -83.5 114.05 21.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.776 0.322 . . . . 73.540000000000006 111.089 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.74 HD11 ' O ' ' F' ' 28' ' ' LYS . 5.3 mm -126.23 116.22 44.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.204 -0.453 . . . . 64.120000000000005 111.106 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.501 HG21 ' CG ' ' F' ' 35' ' ' MET . 6.5 mt -135.09 120.68 30.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.489 . . . . 74.129999999999995 111.128 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.33 -44.51 65.56 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.729 -0.748 . . . . 62.32 112.505 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.703 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -173.79 148.71 1.48 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.8 0.333 . . . . 71.329999999999998 110.916 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . 0.501 ' CG ' HG21 ' F' ' 32' ' ' ILE . 58.5 mtp -127.68 123.52 35.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 54.329999999999998 110.893 179.818 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.871 HG11 HG21 ' A' ' 36' ' ' VAL . 94.5 t -119.02 115.28 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 71.299999999999997 111.151 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.01 19.26 61.1 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.75 -0.738 . . . . 72.420000000000002 112.449 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.07 -162.54 29.68 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.721 -0.752 . . . . 75.019999999999996 112.441 -179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.863 HG13 HG23 ' G' ' 39' ' ' VAL . 7.5 p -169.23 137.1 0.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.871 0.367 . . . . 73.439999999999998 111.139 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 16.0 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 62.43 111.1 179.921 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.823 0.344 . . . . 52.310000000000002 110.872 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.56 87.07 2.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 73.019999999999996 111.12 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -51.99 -29.59 21.38 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.189 -0.459 . . . . 72.319999999999993 110.843 -179.92 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 4' ' ' PHE . . . . . 0.657 ' CE2' ' HB2' ' B' ' 30' ' ' ALA . 0.3 OUTLIER -161.83 115.44 1.87 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 62.539999999999999 110.844 -179.868 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 6.3 mmt180 -134.36 108.66 8.31 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 74.219999999999999 110.874 -179.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 10.1 t60 -108.9 128.3 54.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 74.239999999999995 110.874 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 13.3 t0 -132.55 101.82 5.47 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.233 -0.439 . . . . 73.439999999999998 110.855 -179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' H' ' 8' ' ' SER . 2.5 t -147.5 176.01 10.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.207 -0.451 . . . . 75.329999999999998 110.843 -179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.8 -10.58 55.13 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.726 -0.75 . . . . 73.409999999999997 112.541 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -172.34 115.25 0.32 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.821 0.344 . . . . 75.140000000000001 110.95 -179.744 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -101.44 118.62 37.33 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 71.310000000000002 110.87 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . 0.508 HG13 HG23 ' F' ' 12' ' ' VAL . 3.7 p -138.16 117.83 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 72.530000000000001 111.078 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -116.07 114.9 25.17 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 70.140000000000001 110.876 179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 m170 -118.96 121.91 41.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 73.049999999999997 110.856 -179.961 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.75 133.02 45.67 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 65.109999999999999 110.926 -179.952 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . 0.413 ' C ' HD22 ' G' ' 17' ' ' LEU . 7.8 tptm -128.45 121.79 29.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 64.109999999999999 110.908 179.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.639 ' HB2' HD13 ' H' ' 17' ' ' LEU . 4.5 mm? -120.93 109.23 14.84 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 72.219999999999999 110.874 179.976 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' G' ' 21' ' ' ALA . 91.4 t -112.28 113.7 44.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 75.219999999999999 111.124 179.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.558 ' CE1' HD12 ' G' ' 17' ' ' LEU . 6.8 m-85 -108.79 100.92 10.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 74.430000000000007 110.882 -179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 0.582 ' CE2' HG22 ' G' ' 31' ' ' ILE . 0.9 OUTLIER 64.07 89.25 0.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.125 -0.488 . . . . 74.200000000000003 110.877 -179.914 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . 0.471 ' HB2' ' CG1' ' G' ' 18' ' ' VAL . . . -115.62 131.73 56.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.121 -0.49 . . . . 73.319999999999993 111.105 179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 62.38 90.29 0.08 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.228 -0.442 . . . . 62.43 110.923 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.621 HG13 HG23 ' H' ' 24' ' ' VAL . 5.7 p -128.85 130.91 68.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.458 . . . . 73.319999999999993 111.13 -179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.27 -52.64 50.43 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.713 -0.756 . . . . 51.0 112.504 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.51 130.21 6.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.911 0.386 . . . . 73.540000000000006 110.859 -179.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . 0.572 ' HB3' HD12 ' H' ' 31' ' ' ILE . 18.6 m120 -96.42 105.14 17.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.420000000000002 110.886 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . 0.734 ' O ' HD11 ' G' ' 31' ' ' ILE . 0.9 OUTLIER -114.43 137.23 52.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.208 -0.451 . . . . 71.109999999999999 110.89 179.921 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.38 -150.33 38.41 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.788 -0.72 . . . . 72.230000000000004 112.482 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.709 ' O ' HD13 ' G' ' 31' ' ' ILE . . . -83.74 114.41 21.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.696 0.284 . . . . 62.140000000000001 111.097 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.734 HD11 ' O ' ' G' ' 28' ' ' LYS . 4.9 mm -127.02 117.93 48.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 73.040000000000006 111.091 179.964 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.4 HG21 ' HG2' ' G' ' 35' ' ' MET . 5.6 mt -134.89 123.07 39.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.483 . . . . 71.409999999999997 111.119 179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -53.85 -43.25 70.6 Favored Glycine 0 N--CA 1.45 -0.391 0 C-N-CA 120.76 -0.734 . . . . 35.020000000000003 112.519 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.77 HD22 ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -172.29 150.79 2.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.785 0.326 . . . . 72.120000000000005 110.902 -179.947 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.429 ' CE ' HG13 ' G' ' 40' ' ' VAL . 49.3 mtp -128.01 123.97 36.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.19 -0.459 . . . . 44.0 110.852 179.815 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.683 HG11 HG21 ' B' ' 36' ' ' VAL . 99.5 t -125.69 112.7 31.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.194 -0.457 . . . . 71.510000000000005 111.133 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.44 19.7 58.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.744 -0.741 . . . . 75.409999999999997 112.47 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.38 -163.9 30.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.696 -0.764 . . . . 21.41 112.533 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.863 HG23 HG13 ' F' ' 39' ' ' VAL . 7.4 p -169.43 134.32 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.896 0.379 . . . . 74.209999999999994 111.107 -179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.429 HG13 ' CE ' ' G' ' 35' ' ' MET . 21.4 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 71.040000000000006 111.157 179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.788 0.328 . . . . 62.119999999999997 110.882 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.84 86.66 2.39 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.177 -0.465 . . . . 53.25 111.065 179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -51.77 -30.12 21.59 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 74.230000000000004 110.886 -179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 4' ' ' PHE . . . . . 0.634 ' CE2' ' HB2' ' C' ' 30' ' ' ALA . 0.3 OUTLIER -161.26 115.39 2.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 73.340000000000003 110.913 -179.887 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -133.9 108.63 8.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.189 -0.46 . . . . 73.420000000000002 110.853 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 11.0 t60 -109.34 127.76 54.58 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.162 -0.472 . . . . 75.209999999999994 110.846 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -131.96 101.81 5.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 71.400000000000006 110.859 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' I' ' 8' ' ' SER . 2.5 t -147.42 175.66 10.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.194 -0.457 . . . . 74.519999999999996 110.865 -179.757 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.31 -10.31 54.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 44.130000000000003 112.508 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -172.22 115.15 0.33 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.822 0.344 . . . . 63.140000000000001 110.875 -179.784 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -101.85 119.05 38.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.126 -0.488 . . . . 54.530000000000001 110.895 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.502 HG23 HG13 ' I' ' 12' ' ' VAL . 3.9 p -137.8 117.74 15.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.125 -0.489 . . . . 63.009999999999998 111.088 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 63.5 m170 -116.07 114.43 24.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.178 -0.464 . . . . 71.420000000000002 110.839 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -118.01 123.0 44.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.18 -0.463 . . . . 73.329999999999998 110.921 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.04 133.14 45.44 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.225 -0.443 . . . . 74.150000000000006 110.883 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . 0.45 ' C ' HD22 ' H' ' 17' ' ' LEU . 8.0 tptm -126.08 121.61 33.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 72.200000000000003 110.942 179.926 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.639 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.5 mm? -122.1 106.37 11.11 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 74.329999999999998 110.905 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.434 ' CG1' ' HB2' ' H' ' 21' ' ' ALA . 92.1 t -111.48 114.02 45.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.187 -0.461 . . . . 71.209999999999994 111.101 179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.513 ' CE1' HD12 ' H' ' 17' ' ' LEU . 5.1 m-85 -108.77 99.62 8.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 72.010000000000005 110.868 -179.985 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . 0.596 ' CE2' HG22 ' H' ' 31' ' ' ILE . 1.0 OUTLIER 63.72 89.96 0.09 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.124 -0.489 . . . . 74.430000000000007 110.875 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . 0.434 ' HB2' ' CG1' ' H' ' 18' ' ' VAL . . . -115.57 130.8 57.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 72.5 111.096 179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 62.07 90.45 0.07 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.44 . . . . 52.039999999999999 110.846 179.965 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.671 HG13 HG23 ' I' ' 24' ' ' VAL . 6.0 p -128.24 130.86 69.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 62.299999999999997 111.164 179.98 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.04 -52.88 49.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 62.229999999999997 112.499 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.52 130.11 6.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.853 0.359 . . . . 65.349999999999994 110.839 -179.748 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . 0.58 ' HB3' HD12 ' I' ' 31' ' ' ILE . 18.4 m120 -96.33 105.2 17.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.111 -0.495 . . . . 72.019999999999996 110.891 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . 0.726 ' O ' HD11 ' H' ' 31' ' ' ILE . 0.8 OUTLIER -114.86 137.25 52.18 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.135 -0.484 . . . . 70.040000000000006 110.846 179.963 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.93 -150.55 37.77 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 71.329999999999998 112.512 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . 0.704 ' O ' HD13 ' H' ' 31' ' ' ILE . . . -83.48 114.15 21.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.744 0.307 . . . . 73.219999999999999 111.069 -179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.726 HD11 ' O ' ' H' ' 28' ' ' LYS . 4.6 mm -126.88 117.99 49.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 73.109999999999999 111.113 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . 0.42 HG21 ' HG2' ' H' ' 35' ' ' MET . 5.0 mt -133.6 123.72 46.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.15 -0.477 . . . . 55.109999999999999 111.155 179.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.39 -42.7 75.44 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.72 -0.753 . . . . 43.140000000000001 112.472 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.81 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -170.88 149.93 3.09 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.787 0.327 . . . . 72.420000000000002 110.923 -179.91 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . 0.42 ' HG2' HG21 ' H' ' 32' ' ' ILE . 49.4 mtp -126.93 123.23 36.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.222 -0.445 . . . . 74.129999999999995 110.869 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.574 HG11 HG21 ' C' ' 36' ' ' VAL . 99.0 t -128.74 112.82 27.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.218 -0.446 . . . . 74.340000000000003 111.098 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.36 19.86 48.65 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.683 -0.77 . . . . 61.240000000000002 112.51 -179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.72 -164.63 31.63 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.742 -0.742 . . . . 22.120000000000001 112.472 -179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.67 HG23 HG13 ' G' ' 39' ' ' VAL . 7.5 p -169.2 133.81 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-O 120.862 0.363 . . . . 70.409999999999997 111.12 -179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . 0.418 ' CG2' HG12 ' G' ' 40' ' ' VAL . 18.9 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 71.430000000000007 111.151 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.821 0.343 . . . . 74.129999999999995 110.855 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.68 86.73 2.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 40.310000000000002 111.134 179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.1 -29.59 22.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.226 -0.443 . . . . 75.439999999999998 110.861 -179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 4' ' ' PHE . . . . . 0.621 ' CE2' ' HB2' ' D' ' 30' ' ' ALA . 0.3 OUTLIER -161.8 115.29 1.86 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 75.209999999999994 110.86 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -133.88 108.67 8.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.122 -0.49 . . . . 75.450000000000003 110.844 -179.856 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 11.1 t60 -110.05 127.94 55.14 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 73.310000000000002 110.877 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 13.5 t0 -131.88 102.0 5.67 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 72.329999999999998 110.886 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' H' ' 8' ' ' SER . 2.5 t -147.68 174.49 11.73 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.194 -0.457 . . . . 73.140000000000001 110.871 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.87 -9.42 54.33 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.723 -0.751 . . . . 72.25 112.445 -179.981 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -172.15 114.38 0.32 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.807 0.336 . . . . 75.109999999999999 110.978 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -102.36 119.54 38.99 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.486 . . . . 71.319999999999993 110.875 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . 0.502 HG13 HG23 ' H' ' 12' ' ' VAL . 4.3 p -137.59 117.95 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 64.230000000000004 111.122 179.978 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 63.4 m170 -116.29 114.44 24.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.17 -0.468 . . . . 62.450000000000003 110.876 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -117.75 123.78 46.86 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.448 . . . . 70.219999999999999 110.855 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.24 133.05 45.08 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.199 -0.455 . . . . 74.310000000000002 110.93 -179.947 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . 0.494 ' O ' HD22 ' I' ' 17' ' ' LEU . 8.1 tptm -124.41 120.54 32.38 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 72.219999999999999 110.927 179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.638 HD13 ' HB2' ' H' ' 17' ' ' LEU . 4.5 mm? -123.85 105.59 9.76 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.227 -0.442 . . . . 51.219999999999999 110.932 179.927 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . 0.475 ' CG1' ' HB2' ' I' ' 21' ' ' ALA . 85.4 t -111.98 114.6 47.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 55.340000000000003 111.144 179.853 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . 0.496 ' HE1' HD12 ' I' ' 17' ' ' LEU . 4.5 m-85 -106.54 97.98 7.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 75.450000000000003 110.832 -179.966 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . 0.595 ' CE2' HG22 ' I' ' 31' ' ' ILE . 0.9 OUTLIER 63.76 91.27 0.07 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.129 -0.487 . . . . 74.329999999999998 110.902 -179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . 0.475 ' HB2' ' CG1' ' I' ' 18' ' ' VAL . . . -116.93 131.04 57.05 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.13 -0.486 . . . . 70.010000000000005 111.124 179.918 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 62.34 90.67 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.239 -0.437 . . . . 73.319999999999993 110.844 179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.671 HG23 HG13 ' H' ' 24' ' ' VAL . 6.0 p -129.1 130.97 68.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.162 -0.472 . . . . 53.149999999999999 111.088 179.998 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.08 -53.24 46.63 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 64.109999999999999 112.496 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.17 130.12 6.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.816 0.341 . . . . 74.150000000000006 110.853 -179.735 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . 0.518 ' HB3' HD12 ' J' ' 31' ' ' ILE . 18.5 m120 -95.63 105.09 17.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 72.040000000000006 110.866 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . 0.717 ' O ' HD11 ' I' ' 31' ' ' ILE . 0.7 OUTLIER -115.49 137.34 52.16 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 63.43 110.887 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.48 -150.64 36.94 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.717 -0.754 . . . . 73.019999999999996 112.495 179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.695 ' O ' HD13 ' I' ' 31' ' ' ILE . . . -83.37 114.48 21.46 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.797 0.332 . . . . 64.5 111.068 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.717 HD11 ' O ' ' I' ' 28' ' ' LYS . 4.6 mm -126.72 118.83 51.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 72.230000000000004 111.12 179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . 0.432 HG21 ' HG2' ' I' ' 35' ' ' MET . 4.8 mt -132.37 125.39 53.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.143 -0.48 . . . . 64.219999999999999 111.125 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -57.04 -42.24 92.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.75 -0.738 . . . . 60.310000000000002 112.494 179.95 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.734 HD22 ' O ' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -170.67 147.58 2.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.817 0.342 . . . . 72.409999999999997 110.941 -179.909 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . 0.432 ' HG2' HG21 ' I' ' 32' ' ' ILE . 50.6 mtp -125.96 122.12 35.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 74.25 110.878 179.865 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.545 HG11 HG21 ' D' ' 36' ' ' VAL . 96.8 t -129.46 111.53 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.237 -0.438 . . . . 64.219999999999999 111.163 179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.02 20.32 41.42 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.781 -0.723 . . . . 71.510000000000005 112.514 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.03 -164.12 32.39 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.723 -0.751 . . . . 52.450000000000003 112.473 -179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 0.581 HG23 HG13 ' H' ' 39' ' ' VAL . 7.6 p -169.06 136.15 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.887 0.375 . . . . 75.230000000000004 111.132 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . 0.4 ' HA ' HG22 ' J' ' 40' ' ' VAL . 19.1 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 73.120000000000005 111.121 179.906 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.82 0.343 . . . . 71.209999999999994 110.884 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.69 86.99 2.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 70.209999999999994 111.1 179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -51.94 -29.96 22.5 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.224 -0.444 . . . . 71.299999999999997 110.889 -179.93 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 4' ' ' PHE . . . . . 0.563 ' CE2' ' HB2' ' E' ' 30' ' ' ALA . 0.3 OUTLIER -161.07 115.14 2.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 73.430000000000007 110.893 -179.929 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -133.27 108.53 8.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.123 -0.49 . . . . 75.409999999999997 110.897 -179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 11.5 t60 -110.85 127.41 55.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.182 -0.463 . . . . 72.200000000000003 110.815 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 13.4 t0 -130.03 101.65 5.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.22 -0.445 . . . . 74.409999999999997 110.908 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 2.4 t -148.33 169.63 19.73 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.182 -0.463 . . . . 74.299999999999997 110.841 -179.705 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -96.42 -8.75 57.29 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.759 -0.734 . . . . 75.219999999999999 112.49 -179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 2.1 t80 -170.79 112.0 0.39 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.798 0.332 . . . . 74.0 110.911 -179.816 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -103.17 119.86 39.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 75.120000000000005 110.872 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.5 HG13 HG23 ' I' ' 12' ' ' VAL . 4.6 p -136.71 119.23 20.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 73.040000000000006 111.105 179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 63.7 m170 -116.28 113.81 23.5 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 75.340000000000003 110.866 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 8.7 m170 -117.06 124.93 50.48 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.196 -0.457 . . . . 75.450000000000003 110.856 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.08 134.51 45.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.154 -0.476 . . . . 75.010000000000005 110.887 -179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . 0.536 ' O ' HD22 ' J' ' 17' ' ' LEU . 7.8 tptm -124.47 119.84 30.3 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.198 -0.456 . . . . 75.25 110.939 179.934 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.557 HD12 ' HE1' ' J' ' 19' ' ' PHE . 4.3 mm? -126.09 106.77 9.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.211 -0.449 . . . . 70.420000000000002 110.895 179.946 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.537 ' CG1' ' HB2' ' J' ' 21' ' ' ALA . 91.1 t -112.42 118.11 56.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 54.229999999999997 111.148 179.773 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.557 ' HE1' HD12 ' J' ' 17' ' ' LEU . 4.1 m-85 -106.23 96.1 6.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.143 -0.481 . . . . 72.25 110.886 -179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . 0.604 ' CE2' HG22 ' J' ' 31' ' ' ILE . 0.6 OUTLIER 63.06 91.39 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 72.439999999999998 110.891 -179.917 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . 0.537 ' HB2' ' CG1' ' J' ' 18' ' ' VAL . . . -116.1 132.61 56.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 73.430000000000007 111.065 179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 61.67 90.95 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 62.119999999999997 110.897 179.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.612 HG23 HG13 ' I' ' 24' ' ' VAL . 6.2 p -130.45 130.37 65.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 71.420000000000002 111.126 -179.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.42 -52.31 50.07 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 74.329999999999998 112.459 -179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -158.49 131.29 7.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.867 0.365 . . . . 75.430000000000007 110.906 -179.764 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . 0.491 ' ND2' HG21 ' J' ' 24' ' ' VAL . 21.2 m120 -95.92 103.21 15.08 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.131 -0.486 . . . . 72.530000000000001 110.898 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . 0.673 ' O ' HD11 ' J' ' 31' ' ' ILE . 0.8 OUTLIER -115.31 137.57 51.9 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.18 -0.463 . . . . 71.25 110.868 179.937 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.27 -150.34 33.45 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.78 -0.724 . . . . 72.239999999999995 112.489 179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 0.624 ' O ' HD13 ' J' ' 31' ' ' ILE . . . -83.45 114.27 21.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.771 0.319 . . . . 34.43 111.1 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.673 HD11 ' O ' ' J' ' 28' ' ' LYS . 3.9 mm -124.25 117.32 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.223 -0.444 . . . . 73.439999999999998 111.161 179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . 0.53 HG21 ' CG ' ' J' ' 35' ' ' MET . 5.3 mt -126.22 122.94 62.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.462 . . . . 70.150000000000006 111.159 179.821 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.51 -38.27 93.34 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.725 -0.75 . . . . 70.140000000000001 112.51 179.926 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.671 HD22 ' O ' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -170.5 147.32 2.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.818 0.342 . . . . 73.430000000000007 110.886 -179.923 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . 0.53 ' CG ' HG21 ' J' ' 32' ' ' ILE . 55.5 mtp -128.29 119.63 25.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 72.219999999999999 110.941 179.774 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.447 HG11 HG21 ' E' ' 36' ' ' VAL . 84.9 t -134.31 109.97 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.252 -0.431 . . . . 60.509999999999998 111.129 -180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 55.2 21.12 24.43 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.712 -0.756 . . . . 31.34 112.502 179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.39 -162.15 31.57 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.708 -0.758 . . . . 71.219999999999999 112.501 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.435 HG23 HG13 ' I' ' 39' ' ' VAL . 7.4 p -169.18 137.49 0.5 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.871 0.367 . . . . 75.450000000000003 111.114 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.4 HG22 ' HA ' ' I' ' 40' ' ' VAL . 17.2 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.167 -0.469 . . . . 65.209999999999994 111.121 179.928 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.809 0.338 . . . . 72.019999999999996 110.839 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.19 87.19 4.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 54.340000000000003 111.068 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -57.73 -24.32 56.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 73.329999999999998 110.894 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.561 ' CE2' ' HB2' ' F' ' 30' ' ' ALA . 0.3 OUTLIER -167.22 114.54 0.79 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.124 -0.489 . . . . 71.140000000000001 110.829 -179.909 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -130.15 109.5 10.86 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.136 -0.483 . . . . 74.540000000000006 110.899 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.7 t60 -109.23 121.48 45.25 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 62.25 110.866 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -127.99 102.09 6.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.45 . . . . 44.219999999999999 110.905 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -148.77 176.05 10.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 71.040000000000006 110.857 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.32 -10.43 38.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.775 -0.726 . . . . 70.150000000000006 112.515 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.39 114.6 0.31 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.834 0.349 . . . . 55.210000000000001 110.93 -179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -103.19 120.48 40.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 55.409999999999997 110.887 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 50.5 t -132.16 113.93 22.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.144 -0.48 . . . . 72.120000000000005 111.143 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 60.6 m170 -114.01 124.49 52.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 72.329999999999998 110.889 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -133.54 115.42 14.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 72.530000000000001 110.84 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -121.2 136.82 54.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 71.019999999999996 110.895 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -131.54 115.36 16.03 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 71.299999999999997 110.847 179.945 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.518 HD12 ' CE1' ' A' ' 19' ' ' PHE . 3.6 mm? -119.29 110.63 17.22 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 70.310000000000002 110.92 179.891 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.743 HG12 ' CG2' ' B' ' 18' ' ' VAL . 27.2 m -116.82 118.97 60.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 51.340000000000003 111.115 179.868 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.518 ' CE1' HD12 ' A' ' 17' ' ' LEU . 13.5 m-85 -106.31 106.9 17.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 70.099999999999994 110.909 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 58.99 65.6 1.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 75.420000000000002 110.914 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.53 138.02 32.95 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.117 -0.492 . . . . 41.409999999999997 111.091 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.67 77.54 0.25 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.451 . . . . 75.099999999999994 110.874 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.607 ' CG1' HG23 ' B' ' 24' ' ' VAL . 7.6 p -112.55 139.43 37.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.16 -0.473 . . . . 72.540000000000006 111.117 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.29 -47.49 51.65 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.747 . . . . 70.129999999999995 112.483 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 10.0 m -161.1 124.88 3.38 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.934 0.397 . . . . 74.340000000000003 110.824 -179.761 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.564 ' CG ' HG21 ' A' ' 31' ' ' ILE . 23.6 m-20 -108.5 102.44 11.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.083 -0.508 . . . . 75.129999999999995 110.858 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.56 162.27 16.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 72.109999999999999 110.872 179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.12 -135.5 50.25 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 25.109999999999999 112.487 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.576 ' HB2' ' CE2' ' F' ' 4' ' ' PHE . . . -83.14 113.64 20.78 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.722 0.296 . . . . 22.32 111.118 179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.737 HG22 ' CZ ' ' B' ' 20' ' ' PHE . 2.0 mp -123.49 109.31 22.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.226 -0.443 . . . . 65.329999999999998 111.113 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 18.0 mt -137.64 116.17 14.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 72.040000000000006 111.114 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.18 -48.73 32.05 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.691 -0.766 . . . . 53.039999999999999 112.532 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.672 HD22 ' C ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -173.19 149.05 1.75 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.806 0.336 . . . . 73.310000000000002 110.958 -179.961 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 1.3 mtp -123.96 123.17 39.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.181 -0.463 . . . . 71.430000000000007 110.897 179.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.498 HG21 HG11 ' F' ' 36' ' ' VAL . 60.2 t -111.63 114.58 47.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 63.299999999999997 111.116 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.95 23.62 46.75 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.764 -0.731 . . . . 74.140000000000001 112.467 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.32 -169.29 25.83 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.7 -0.762 . . . . 71.409999999999997 112.436 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.493 ' O ' HG23 ' B' ' 39' ' ' VAL . 4.3 p -168.53 121.64 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 74.510000000000005 111.142 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.728 ' HA ' HG22 ' B' ' 40' ' ' VAL . 18.6 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.163 -0.471 . . . . 63.210000000000001 111.157 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.768 0.318 . . . . 74.409999999999997 110.861 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.7 87.05 4.93 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.182 -0.463 . . . . 44.539999999999999 111.095 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -57.05 -23.53 47.3 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.251 -0.431 . . . . 71.349999999999994 110.869 -179.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' G' ' 30' ' ' ALA . 0.3 OUTLIER -167.56 114.56 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 75.409999999999997 110.868 -179.971 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -129.24 108.96 10.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 73.099999999999994 110.81 -179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 62.7 t60 -107.48 121.54 44.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 73.510000000000005 110.804 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -127.88 101.21 6.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 62.439999999999998 110.905 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -148.41 175.56 11.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 74.219999999999999 110.883 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.52 -10.24 38.88 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.777 -0.725 . . . . 45.210000000000001 112.486 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.29 114.21 0.31 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.362 . . . . 72.129999999999995 110.913 -179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -102.61 120.11 39.99 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.122 -0.49 . . . . 72.109999999999999 110.863 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 48.5 t -131.57 114.01 24.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.16 -0.473 . . . . 62.310000000000002 111.114 179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 60.1 m170 -114.91 123.6 49.57 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.163 -0.471 . . . . 62.329999999999998 110.861 179.891 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -133.43 116.75 16.4 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.169 -0.469 . . . . 74.349999999999994 110.834 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -122.82 135.88 54.68 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.242 -0.435 . . . . 63.039999999999999 110.923 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.433 ' O ' HD22 ' B' ' 17' ' ' LEU . 0.8 OUTLIER -127.78 116.27 19.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 72.25 110.891 179.936 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.482 HD12 ' HE1' ' B' ' 19' ' ' PHE . 3.9 mm? -121.21 110.3 16.0 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.231 -0.44 . . . . 73.349999999999994 110.903 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.743 ' CG2' HG12 ' A' ' 18' ' ' VAL . 27.1 m -118.52 119.45 61.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 72.019999999999996 111.099 179.839 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.482 ' HE1' HD12 ' B' ' 17' ' ' LEU . 6.9 m-85 -106.63 110.19 22.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 71.430000000000007 110.854 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.737 ' CZ ' HG22 ' A' ' 31' ' ' ILE . 4.6 m-30 59.58 63.6 1.49 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 70.329999999999998 110.927 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.61 137.74 32.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 62.210000000000001 111.05 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.13 77.28 0.25 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.171 -0.468 . . . . 75.230000000000004 110.86 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.607 HG23 ' CG1' ' A' ' 24' ' ' VAL . 6.3 p -113.23 137.57 45.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.176 -0.465 . . . . 70.519999999999996 111.098 -179.984 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.51 -46.81 53.84 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.7 -0.762 . . . . 75.299999999999997 112.507 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 11.7 m -161.2 125.44 3.45 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.875 0.369 . . . . 34.240000000000002 110.862 -179.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.537 ' CG ' HG21 ' B' ' 31' ' ' ILE . 23.4 m-20 -107.47 102.25 11.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.111 -0.495 . . . . 61.399999999999999 110.842 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.0 162.09 17.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 65.239999999999995 110.864 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.5 -134.69 49.93 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.69 -0.767 . . . . 61.219999999999999 112.511 179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.576 ' HB2' ' CE2' ' G' ' 4' ' ' PHE . . . -83.47 113.69 20.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.824 0.345 . . . . 73.209999999999994 111.102 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.742 HG22 ' CZ ' ' C' ' 20' ' ' PHE . 2.0 mp -123.54 109.43 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.203 -0.453 . . . . 71.319999999999993 111.137 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 16.8 mt -135.46 119.22 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 72.409999999999997 111.105 179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.43 ' HA3' ' HB3' ' B' ' 19' ' ' PHE . . . -50.49 -47.86 43.41 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 64.099999999999994 112.486 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.704 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -171.33 151.46 3.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.85 0.357 . . . . 72.400000000000006 110.915 -179.953 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 1.3 ttp -123.16 123.74 41.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.192 -0.458 . . . . 74.519999999999996 110.892 179.842 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.499 HG23 HD23 ' B' ' 34' ' ' LEU . 78.4 t -119.96 111.07 31.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.252 -0.431 . . . . 72.319999999999993 111.099 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.88 24.45 49.59 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.732 . . . . 73.299999999999997 112.486 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.48 -169.3 24.68 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.737 -0.744 . . . . 74.150000000000006 112.511 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.5 ' O ' HG23 ' C' ' 39' ' ' VAL . 3.3 p -167.93 120.37 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.838 0.351 . . . . 75.200000000000003 111.169 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.728 HG22 ' HA ' ' A' ' 40' ' ' VAL . 17.6 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 72.209999999999994 111.148 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.833 0.349 . . . . 73.230000000000004 110.85 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -95.06 86.92 4.74 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.181 -0.463 . . . . 41.240000000000002 111.115 179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -57.26 -23.6 49.34 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.214 -0.448 . . . . 75.019999999999996 110.897 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . 0.538 ' CE2' ' HB2' ' H' ' 30' ' ' ALA . 0.3 OUTLIER -167.94 114.77 0.71 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.147 -0.479 . . . . 75.239999999999995 110.897 -179.897 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 6.1 mmt180 -129.25 108.97 10.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 74.329999999999998 110.882 -179.889 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -107.74 120.91 43.57 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.209 -0.45 . . . . 74.530000000000001 110.831 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -127.3 101.39 6.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.466 . . . . 54.530000000000001 110.846 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -148.46 175.54 11.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.182 -0.463 . . . . 53.439999999999998 110.849 -179.808 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.75 -10.07 38.68 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.729 -0.748 . . . . 61.310000000000002 112.443 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.26 114.29 0.31 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.856 0.36 . . . . 63.310000000000002 110.934 -179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -102.51 120.1 39.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 65.439999999999998 110.91 179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 48.5 t -131.64 114.28 24.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.138 -0.483 . . . . 74.0 111.165 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -115.32 123.41 48.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 44.350000000000001 110.869 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -133.01 117.4 17.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 54.32 110.888 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 7.2 pt20 -123.58 135.71 54.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.19 -0.459 . . . . 74.209999999999994 110.913 -179.922 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.506 ' O ' HD22 ' C' ' 17' ' ' LEU . 0.8 OUTLIER -125.94 116.91 22.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.253 -0.43 . . . . 74.299999999999997 110.89 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.506 HD22 ' O ' ' C' ' 16' ' ' LYS . 4.0 mm? -123.47 109.63 14.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.196 -0.456 . . . . 72.120000000000005 110.891 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.727 ' CG2' HG12 ' B' ' 18' ' ' VAL . 27.8 m -119.14 119.55 61.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 73.099999999999994 111.14 179.867 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.504 ' HE1' HD12 ' C' ' 17' ' ' LEU . 4.7 m-85 -106.22 109.85 21.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.162 -0.472 . . . . 75.140000000000001 110.856 -179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.742 ' CZ ' HG22 ' B' ' 31' ' ' ILE . 4.5 m-30 59.65 63.59 1.48 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.13 -0.486 . . . . 72.140000000000001 110.886 -179.889 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.73 136.99 33.45 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.145 -0.48 . . . . 63.219999999999999 111.095 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.01 77.46 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.201 -0.454 . . . . 65.409999999999997 110.851 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.577 ' CG1' HG23 ' D' ' 24' ' ' VAL . 6.9 p -113.09 137.43 46.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 73.299999999999997 111.152 179.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.53 -46.8 53.68 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.774 -0.727 . . . . 71.319999999999993 112.441 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 12.0 m -160.69 125.67 3.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.889 0.376 . . . . 74.200000000000003 110.838 -179.741 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.475 ' ND2' HG21 ' C' ' 31' ' ' ILE . 21.0 m-20 -107.43 101.69 11.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.124 -0.489 . . . . 64.219999999999999 110.938 -179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.53 161.93 17.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.19 -0.459 . . . . 73.209999999999994 110.9 179.962 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.27 -134.54 48.35 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.768 -0.729 . . . . 42.409999999999997 112.515 179.957 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.555 ' HB2' ' CE2' ' H' ' 4' ' ' PHE . . . -83.34 113.89 21.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.799 0.333 . . . . 72.420000000000002 111.073 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.75 HG22 ' CZ ' ' D' ' 20' ' ' PHE . 2.0 mp -123.24 109.36 23.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 73.409999999999997 111.173 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 13.7 mt -134.12 119.55 31.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.445 . . . . 53.409999999999997 111.11 179.892 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.84 -46.29 54.95 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 61.310000000000002 112.481 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.766 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -170.95 151.05 3.23 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.812 0.339 . . . . 75.200000000000003 110.951 -179.951 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 1.4 mtp -122.3 122.43 39.08 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 73.299999999999997 110.845 179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.509 HG23 HD23 ' C' ' 34' ' ' LEU . 84.9 t -120.66 110.97 30.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.19 -0.459 . . . . 74.099999999999994 111.135 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.69 25.54 29.27 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.758 -0.734 . . . . 32.340000000000003 112.487 -179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.93 -169.38 25.23 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 63.299999999999997 112.477 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.517 ' O ' HG23 ' D' ' 39' ' ' VAL . 3.6 p -167.64 120.23 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-O 120.861 0.362 . . . . 72.319999999999993 111.105 -179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.709 HG22 ' HA ' ' B' ' 40' ' ' VAL . 18.1 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 64.510000000000005 111.127 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.854 0.359 . . . . 62.520000000000003 110.873 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.93 86.62 4.71 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 62.420000000000002 111.073 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -57.34 -23.95 52.08 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 72.109999999999999 110.93 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . 0.524 ' CE2' ' HB2' ' I' ' 30' ' ' ALA . 0.3 OUTLIER -168.0 114.96 0.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 75.430000000000007 110.905 -179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -128.86 108.83 10.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 72.219999999999999 110.869 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 64.0 t60 -107.34 120.5 42.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 71.239999999999995 110.845 -179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -126.99 101.31 6.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 44.210000000000001 110.827 -179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -148.61 174.62 11.95 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 63.409999999999997 110.855 -179.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.69 -9.64 39.98 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.75 -0.738 . . . . 74.129999999999995 112.47 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.16 113.75 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.85 0.357 . . . . 75.25 110.95 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -102.33 120.24 40.16 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.105 -0.498 . . . . 65.310000000000002 110.865 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -131.71 114.39 24.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 71.140000000000001 111.119 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 57.4 m170 -115.17 123.47 48.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 73.109999999999999 110.9 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -133.24 117.37 17.31 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 75.150000000000006 110.851 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -123.83 135.95 54.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.2 -0.455 . . . . 71.109999999999999 110.875 -179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.59 ' O ' HD22 ' D' ' 17' ' ' LEU . 0.8 OUTLIER -124.46 116.98 23.4 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.188 -0.46 . . . . 52.539999999999999 110.912 179.993 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.59 HD22 ' O ' ' D' ' 16' ' ' LYS . 4.2 mm? -125.66 109.0 12.1 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.248 -0.433 . . . . 71.040000000000006 110.949 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.713 HG12 ' CG2' ' E' ' 18' ' ' VAL . 29.0 m -119.4 119.99 62.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.179 -0.464 . . . . 74.230000000000004 111.155 179.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.466 ' HE1' HD12 ' D' ' 17' ' ' LEU . 2.8 m-85 -105.8 109.13 20.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.155 -0.475 . . . . 71.400000000000006 110.849 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.75 ' CZ ' HG22 ' C' ' 31' ' ' ILE . 4.6 m-30 59.86 63.5 1.46 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.133 -0.485 . . . . 72.450000000000003 110.89 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.85 136.99 34.51 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.167 -0.469 . . . . 45.420000000000002 111.087 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.78 77.27 0.24 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.255 -0.429 . . . . 75.510000000000005 110.86 179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.577 HG23 ' CG1' ' C' ' 24' ' ' VAL . 7.1 p -113.01 137.56 45.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 64.530000000000001 111.144 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.53 -46.41 55.41 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.755 -0.736 . . . . 75.25 112.484 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 12.3 m -160.31 126.06 4.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.874 0.369 . . . . 73.109999999999999 110.867 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 19.7 m-20 -107.02 100.85 10.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.492 . . . . 75.230000000000004 110.905 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.43 162.03 18.19 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.123 -0.489 . . . . 71.310000000000002 110.887 179.905 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.58 -134.11 47.49 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.743 -0.742 . . . . 72.019999999999996 112.484 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.531 ' HB2' ' CE2' ' I' ' 4' ' ' PHE . . . -83.3 113.55 20.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.765 0.317 . . . . 71.400000000000006 111.136 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.739 HG22 ' CZ ' ' E' ' 20' ' ' PHE . 2.1 mp -122.1 109.35 24.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 74.540000000000006 111.106 -179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 12.6 mt -133.2 119.91 37.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.174 -0.466 . . . . 64.030000000000001 111.169 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.32 -47.0 70.34 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 54.340000000000003 112.469 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.754 HD22 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -168.38 148.99 4.78 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.808 0.337 . . . . 64.530000000000001 110.91 -179.888 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 1.4 mtp -122.47 120.62 34.44 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.45 . . . . 61.5 110.907 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.535 HG23 HD23 ' D' ' 34' ' ' LEU . 75.4 t -120.7 110.79 29.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 74.420000000000002 111.124 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.61 25.95 22.76 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.718 -0.753 . . . . 64.329999999999998 112.488 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.12 -169.3 26.02 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.717 -0.754 . . . . 45.219999999999999 112.484 -179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.544 ' O ' HG23 ' E' ' 39' ' ' VAL . 4.1 p -167.43 120.84 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.904 0.383 . . . . 65.310000000000002 111.142 179.978 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.675 HG22 ' HA ' ' C' ' 40' ' ' VAL . 18.5 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.162 -0.472 . . . . 63.130000000000003 111.126 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.86 0.362 . . . . 60.520000000000003 110.885 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.17 87.09 5.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.219 -0.446 . . . . 62.399999999999999 111.119 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -57.26 -24.44 54.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 64.209999999999994 110.879 -179.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . 0.446 ' CE2' ' HB2' ' J' ' 30' ' ' ALA . 0.3 OUTLIER -167.33 115.37 0.79 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.474 . . . . 72.129999999999995 110.862 -179.97 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -128.01 108.9 11.06 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 62.439999999999998 110.864 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 63.5 t60 -107.49 120.54 42.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.186 -0.461 . . . . 74.439999999999998 110.828 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -126.28 101.01 6.54 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.477 . . . . 73.340000000000003 110.886 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 2.9 m -149.31 171.34 16.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 64.530000000000001 110.828 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.54 -8.84 45.37 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.724 -0.751 . . . . 62.109999999999999 112.482 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -170.91 112.11 0.38 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.868 0.365 . . . . 72.340000000000003 110.932 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -102.58 120.23 40.19 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.097 -0.501 . . . . 75.5 110.861 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -131.71 115.16 26.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 62.130000000000003 111.147 179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -115.19 122.44 46.04 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.148 -0.478 . . . . 72.019999999999996 110.852 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -132.31 117.81 18.63 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.258 -0.428 . . . . 72.040000000000006 110.851 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 7.0 pt20 -124.52 137.34 54.42 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 74.409999999999997 110.935 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . 0.602 ' O ' HD22 ' E' ' 17' ' ' LEU . 0.8 OUTLIER -124.31 115.66 21.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.195 -0.457 . . . . 74.340000000000003 110.894 179.987 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.602 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.4 mm? -126.48 105.38 8.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 73.310000000000002 110.875 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.713 ' CG2' HG12 ' D' ' 18' ' ' VAL . 29.5 m -115.85 122.54 69.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 74.340000000000003 111.104 179.826 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -106.92 108.35 19.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 75.310000000000002 110.855 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.739 ' CZ ' HG22 ' D' ' 31' ' ' ILE . 4.6 m-30 60.25 64.06 1.29 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.117 -0.492 . . . . 74.319999999999993 110.854 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.69 137.05 35.31 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 60.210000000000001 111.064 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.78 77.72 0.22 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 65.510000000000005 110.845 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.536 HG23 ' CG1' ' D' ' 24' ' ' VAL . 6.7 p -113.69 137.02 48.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.249 -0.432 . . . . 50.240000000000002 111.11 -179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.44 -46.15 50.19 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.789 -0.72 . . . . 33.119999999999997 112.485 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 11.6 m -160.6 125.12 3.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.853 0.358 . . . . 71.109999999999999 110.895 -179.742 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 15.9 m-20 -106.35 99.82 9.38 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 73.129999999999995 110.907 -179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.7 163.16 16.89 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.166 -0.47 . . . . 64.230000000000004 110.885 179.929 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.27 -133.84 42.49 Favored Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.762 -0.733 . . . . 74.329999999999998 112.5 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.412 ' HB2' ' CZ ' ' J' ' 4' ' ' PHE . . . -83.16 113.36 20.59 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.781 0.324 . . . . 75.209999999999994 111.103 179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.433 HG23 ' HE2' ' E' ' 20' ' ' PHE . 2.2 mp -119.7 111.73 34.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 72.140000000000001 111.153 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 mt -131.1 114.63 27.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.159 -0.473 . . . . 73.25 111.153 179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.39 -42.78 84.24 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.786 -0.721 . . . . 62.009999999999998 112.461 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.663 HD22 ' O ' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -168.89 147.05 3.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.807 0.337 . . . . 74.310000000000002 110.926 -179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mtp -124.4 120.41 32.0 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.462 . . . . 74.329999999999998 110.896 179.812 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.439 HG23 HD23 ' E' ' 34' ' ' LEU . 89.0 t -127.44 109.91 21.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 75.140000000000001 111.097 -179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.4 25.51 19.98 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.749 -0.739 . . . . 55.439999999999998 112.457 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.02 -168.77 25.11 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.728 . . . . 72.430000000000007 112.459 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.544 HG23 ' O ' ' D' ' 39' ' ' VAL . 4.4 p -167.68 122.08 0.1 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.84 0.352 . . . . 73.430000000000007 111.146 -179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.553 HG22 ' HA ' ' D' ' 40' ' ' VAL . 18.1 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 75.299999999999997 111.119 179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.835 0.35 . . . . 61.210000000000001 110.874 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.45 87.02 5.02 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.221 -0.445 . . . . 52.109999999999999 111.065 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -57.26 -24.41 54.6 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 74.049999999999997 110.876 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 0.3 OUTLIER -167.29 115.06 0.79 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.108 -0.496 . . . . 60.210000000000001 110.836 -179.913 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 6.5 mmt180 -128.93 109.19 11.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 75.409999999999997 110.89 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 58.2 t60 -108.74 120.99 44.09 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 63.25 110.863 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -127.7 102.23 6.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.237 -0.438 . . . . 73.129999999999995 110.895 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -148.93 176.02 10.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 53.219999999999999 110.833 -179.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.47 -10.39 38.64 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.715 -0.755 . . . . 70.140000000000001 112.493 179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.38 114.69 0.31 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.852 0.358 . . . . 71.140000000000001 110.945 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -103.08 120.62 41.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.127 -0.488 . . . . 72.129999999999995 110.888 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 51.0 t -132.16 114.04 23.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.11 -0.495 . . . . 73.030000000000001 111.085 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 61.1 m170 -114.33 124.5 52.14 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 75.430000000000007 110.901 179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -133.69 115.69 14.9 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.236 -0.438 . . . . 52.229999999999997 110.842 -179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 6.9 pt20 -121.26 136.73 54.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 75.209999999999994 110.92 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -131.44 115.56 16.35 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.212 -0.449 . . . . 74.349999999999994 110.911 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.522 HD12 ' CE1' ' F' ' 19' ' ' PHE . 3.5 mm? -119.63 110.4 16.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.233 -0.44 . . . . 63.329999999999998 110.908 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.737 HG12 ' CG2' ' G' ' 18' ' ' VAL . 27.0 m -116.57 119.2 61.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 72.430000000000007 111.157 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.522 ' CE1' HD12 ' F' ' 17' ' ' LEU . 13.8 m-85 -106.02 107.09 17.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.225 -0.443 . . . . 75.019999999999996 110.859 -179.95 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 4.9 m-30 58.97 65.51 1.2 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.16 -0.473 . . . . 72.439999999999998 110.914 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.28 137.85 32.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.128 -0.487 . . . . 50.020000000000003 111.118 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 57.01 77.51 0.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.24 -0.436 . . . . 74.420000000000002 110.877 -179.988 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.603 ' CG1' HG23 ' G' ' 24' ' ' VAL . 7.7 p -112.33 139.11 38.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.24 -0.437 . . . . 61.310000000000002 111.187 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.75 -47.48 55.48 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.797 -0.716 . . . . 60.020000000000003 112.474 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 12.1 m -160.83 124.54 3.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.844 0.354 . . . . 75.120000000000005 110.912 -179.745 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . 0.601 ' CG ' HG21 ' F' ' 31' ' ' ILE . 18.1 m-20 -106.7 101.61 11.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 63.219999999999999 110.935 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.65 161.85 17.57 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.477 . . . . 73.430000000000007 110.897 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.16 -137.18 49.33 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.777 -0.725 . . . . 74.319999999999993 112.513 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.561 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . . . -83.0 113.27 20.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.758 0.313 . . . . 74.239999999999995 111.126 179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.73 HG22 ' CZ ' ' G' ' 20' ' ' PHE . 1.9 mp -122.44 110.83 28.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.47 . . . . 64.340000000000003 111.142 -179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 18.4 mt -137.86 115.92 13.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 65.230000000000004 111.177 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.19 -48.74 32.15 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.741 -0.742 . . . . 42.109999999999999 112.47 179.977 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.67 ' C ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -172.91 148.81 1.84 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.789 0.328 . . . . 70.120000000000005 110.901 -179.925 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 1.3 mtp -123.63 123.25 40.15 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 65.25 110.868 179.82 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.498 HG11 HG21 ' A' ' 36' ' ' VAL . 58.0 t -112.6 115.33 49.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 73.040000000000006 111.126 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.1 22.63 43.64 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.747 -0.74 . . . . 71.150000000000006 112.46 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.96 -169.67 25.21 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.725 -0.75 . . . . 52.420000000000002 112.497 -179.885 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.517 ' O ' HG23 ' G' ' 39' ' ' VAL . 4.3 p -169.08 121.73 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.817 0.341 . . . . 62.340000000000003 111.134 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.723 ' HA ' HG22 ' G' ' 40' ' ' VAL . 18.1 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.462 . . . . 62.299999999999997 111.149 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.859 0.362 . . . . 71.209999999999994 110.912 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.04 87.2 5.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.162 -0.472 . . . . 52.43 111.107 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -56.77 -23.88 46.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.259 -0.428 . . . . 62.210000000000001 110.901 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 4' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' B' ' 30' ' ' ALA . 0.3 OUTLIER -167.43 114.99 0.77 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 65.439999999999998 110.877 -179.916 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -128.45 108.91 10.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 74.530000000000001 110.879 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 64.6 t60 -107.52 120.76 43.08 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.22 -0.445 . . . . 71.450000000000003 110.868 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 3.2 t70 -127.08 101.48 6.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.248 -0.433 . . . . 73.420000000000002 110.854 179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 3.1 m -148.36 175.42 11.12 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.464 . . . . 60.340000000000003 110.886 -179.749 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.63 -9.99 39.24 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.741 -0.742 . . . . 73.019999999999996 112.47 -179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.45 114.14 0.29 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.849 0.356 . . . . 73.510000000000005 110.951 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -102.21 120.04 39.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 62.140000000000001 110.881 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -131.46 114.04 24.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.118 -0.492 . . . . 74.319999999999993 111.102 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -115.27 123.61 49.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 71.25 110.898 179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -133.38 116.67 16.34 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 70.219999999999999 110.825 -179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 7.1 pt20 -122.37 135.49 54.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 73.310000000000002 110.889 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . 0.44 ' O ' HD22 ' G' ' 17' ' ' LEU . 0.8 OUTLIER -127.7 116.11 19.75 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 72.319999999999993 110.93 179.943 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.494 HD12 ' HE1' ' G' ' 19' ' ' PHE . 3.9 mm? -121.37 110.61 16.3 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 70.099999999999994 110.94 179.936 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.737 ' CG2' HG12 ' F' ' 18' ' ' VAL . 27.0 m -118.74 119.17 60.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 74.409999999999997 111.113 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.494 ' HE1' HD12 ' G' ' 17' ' ' LEU . 6.9 m-85 -105.9 110.0 22.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 74.340000000000003 110.913 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 0.73 ' CZ ' HG22 ' F' ' 31' ' ' ILE . 4.6 m-30 59.47 63.58 1.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.098 -0.501 . . . . 64.340000000000003 110.85 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.4 137.84 32.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 71.230000000000004 111.109 179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.38 77.69 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.255 -0.429 . . . . 75.329999999999998 110.868 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.603 HG23 ' CG1' ' F' ' 24' ' ' VAL . 6.9 p -113.54 137.54 46.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.459 . . . . 61.109999999999999 111.138 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.62 -46.76 53.19 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.737 -0.744 . . . . 64.040000000000006 112.512 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 11.6 m -160.82 124.84 3.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.906 0.384 . . . . 72.329999999999998 110.848 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . 0.521 ' CG ' HG21 ' G' ' 31' ' ' ILE . 21.7 m-20 -106.5 101.31 10.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 75.310000000000002 110.91 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.78 161.94 17.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 74.439999999999998 110.905 179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 60.86 -136.18 48.87 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 62.240000000000002 112.494 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.56 ' HB2' ' CE2' ' B' ' 4' ' ' PHE . . . -83.17 113.89 20.97 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.752 0.31 . . . . 64.510000000000005 111.079 179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.735 HG22 ' CZ ' ' H' ' 20' ' ' PHE . 2.0 mp -123.23 111.33 29.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 75.310000000000002 111.164 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 18.2 mt -136.27 118.63 20.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.216 -0.447 . . . . 72.010000000000005 111.156 179.895 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . 0.403 ' HA3' ' HB3' ' G' ' 19' ' ' PHE . . . -50.16 -48.15 40.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.729 -0.748 . . . . 64.109999999999999 112.521 179.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.706 HD22 ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -171.07 151.13 3.17 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.852 0.358 . . . . 62.219999999999999 110.91 -179.954 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 1.3 mtp -122.65 123.43 41.14 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 75.510000000000005 110.898 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.504 HG23 HD23 ' G' ' 34' ' ' LEU . 65.4 t -120.19 111.03 30.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.435 . . . . 73.219999999999999 111.172 179.968 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.22 23.52 47.83 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 75.420000000000002 112.486 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.16 -169.77 25.02 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.758 . . . . 72.329999999999998 112.503 -179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.525 ' O ' HG23 ' H' ' 39' ' ' VAL . 3.3 p -168.27 120.82 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.909 0.385 . . . . 64.329999999999998 111.137 -179.924 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.733 ' HA ' HG22 ' H' ' 40' ' ' VAL . 17.6 m . . . . . 0 C--N 1.33 -0.256 0 CA-C-N 116.161 -0.472 . . . . 50.229999999999997 111.114 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.772 0.32 . . . . 70.299999999999997 110.905 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -94.19 87.22 5.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.213 -0.449 . . . . 54.409999999999997 111.095 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 4.7 mp0 -57.1 -24.09 51.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.178 -0.465 . . . . 73.299999999999997 110.896 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 4' ' ' PHE . . . . . 0.555 ' CE2' ' HB2' ' C' ' 30' ' ' ALA . 0.3 OUTLIER -167.64 115.23 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 73.549999999999997 110.903 -179.955 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -128.66 109.03 10.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 64.420000000000002 110.909 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -107.53 120.22 41.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 65.319999999999993 110.855 -179.961 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -126.74 101.28 6.55 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.23 -0.441 . . . . 74.230000000000004 110.887 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -148.29 175.22 11.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 72.019999999999996 110.834 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.48 -10.14 39.25 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.756 -0.735 . . . . 60.43 112.492 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.32 114.2 0.31 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.883 0.373 . . . . 73.140000000000001 110.919 -179.793 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -102.04 120.07 39.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.078 -0.51 . . . . 74.430000000000007 110.863 -179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 48.5 t -131.48 114.27 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.151 -0.477 . . . . 45.119999999999997 111.093 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 61.5 m170 -115.5 123.6 48.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 64.010000000000005 110.838 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -133.25 117.06 16.94 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 70.340000000000003 110.88 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 7.4 pt20 -123.0 135.13 54.34 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 73.25 110.925 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . 0.501 ' O ' HD22 ' H' ' 17' ' ' LEU . 0.8 OUTLIER -125.78 116.42 21.58 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 63.409999999999997 110.924 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.503 HD12 ' HE1' ' H' ' 19' ' ' PHE . 4.0 mm? -123.18 109.92 14.61 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.269 -0.423 . . . . 73.239999999999995 110.934 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.727 ' CG2' HG12 ' G' ' 18' ' ' VAL . 27.3 m -119.31 120.09 62.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 54.219999999999999 111.124 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.503 ' HE1' HD12 ' H' ' 17' ' ' LEU . 4.6 m-85 -106.48 109.73 21.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 74.010000000000005 110.881 -179.972 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . 0.735 ' CZ ' HG22 ' G' ' 31' ' ' ILE . 4.5 m-30 59.52 63.4 1.54 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.172 -0.467 . . . . 71.299999999999997 110.862 -179.935 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.07 137.23 33.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 54.030000000000001 111.083 179.949 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.33 77.23 0.26 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.209 -0.45 . . . . 63.340000000000003 110.84 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.587 HG23 ' CG1' ' G' ' 24' ' ' VAL . 6.8 p -113.29 137.95 44.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.199 -0.455 . . . . 65.109999999999999 111.144 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.81 -46.83 51.31 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.745 -0.741 . . . . 63.219999999999999 112.49 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 11.9 m -160.41 125.39 3.83 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.868 0.366 . . . . 65.319999999999993 110.914 -179.746 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . 0.448 ' ND2' HG21 ' H' ' 31' ' ' ILE . 22.3 m-20 -107.04 100.75 10.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 62.219999999999999 110.867 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.93 161.76 17.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.461 . . . . 41.009999999999998 110.923 179.884 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 61.89 -136.18 46.36 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.75 -0.738 . . . . 71.530000000000001 112.47 179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . 0.538 ' HB2' ' CE2' ' C' ' 4' ' ' PHE . . . -82.88 113.77 20.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.723 0.297 . . . . 71.010000000000005 111.077 179.997 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.744 HG22 ' CZ ' ' I' ' 20' ' ' PHE . 2.0 mp -122.34 110.5 27.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.243 -0.435 . . . . 71.209999999999994 111.151 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 14.1 mt -134.14 118.88 29.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 63.43 111.137 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.1 -46.66 56.09 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.715 -0.755 . . . . 31.23 112.499 179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.777 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -170.26 150.48 3.63 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.844 0.354 . . . . 71.439999999999998 110.904 -179.921 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 1.4 mtp -121.84 122.14 38.78 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.17 -0.468 . . . . 74.209999999999994 110.898 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.52 HG23 HD23 ' H' ' 34' ' ' LEU . 69.1 t -121.27 111.15 30.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.233 -0.439 . . . . 62.340000000000003 111.105 -179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 54.29 24.75 30.82 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.729 -0.748 . . . . 52.030000000000001 112.517 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.73 -169.63 25.44 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.737 -0.744 . . . . 64.329999999999998 112.476 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.525 HG23 ' O ' ' G' ' 39' ' ' VAL . 3.4 p -168.32 120.24 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.885 0.374 . . . . 72.299999999999997 111.121 -179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . 0.734 ' HA ' HG22 ' I' ' 40' ' ' VAL . 18.0 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 54.530000000000001 111.128 179.921 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 . . . . . 0 N--CA 1.457 -0.077 0 CA-C-O 120.843 0.354 . . . . 62.43 110.914 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.82 86.5 5.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 65.109999999999999 111.081 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -56.76 -24.22 48.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.244 -0.435 . . . . 75.530000000000001 110.912 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 4' ' ' PHE . . . . . 0.531 ' CE2' ' HB2' ' D' ' 30' ' ' ALA . 0.3 OUTLIER -167.92 115.38 0.73 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.141 -0.481 . . . . 74.540000000000006 110.865 -179.985 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 6.7 mmt180 -128.6 109.09 11.05 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 74.230000000000004 110.905 -179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 63.3 t60 -107.18 120.11 41.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.22 -0.446 . . . . 63.130000000000003 110.877 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -126.86 101.36 6.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 64.140000000000001 110.875 -180.0 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 3.0 m -148.5 174.82 11.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 73.420000000000002 110.843 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.72 -9.72 39.67 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.766 -0.731 . . . . 73.430000000000007 112.497 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.16 113.94 0.31 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.917 0.389 . . . . 74.510000000000005 110.902 -179.834 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -101.86 120.31 40.19 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.109 -0.496 . . . . 74.099999999999994 110.841 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -131.54 114.29 25.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.144 -0.48 . . . . 54.229999999999997 111.134 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 61.4 m170 -115.44 123.56 48.93 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.153 -0.476 . . . . 75.230000000000004 110.847 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -133.38 117.19 16.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 74.340000000000003 110.833 -179.94 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -123.76 135.06 53.59 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.172 -0.467 . . . . 65.420000000000002 110.915 -179.925 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . 0.565 ' O ' HD22 ' I' ' 17' ' ' LEU . 0.8 OUTLIER -124.44 116.73 23.01 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.233 -0.44 . . . . 73.040000000000006 110.926 179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.565 HD22 ' O ' ' I' ' 16' ' ' LYS . 4.2 mm? -125.09 108.98 12.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.235 -0.439 . . . . 62.450000000000003 110.93 179.943 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . 0.704 HG12 ' CG2' ' J' ' 18' ' ' VAL . 27.8 m -119.01 120.21 63.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.187 -0.461 . . . . 73.200000000000003 111.116 179.853 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . 0.484 ' HE1' HD12 ' I' ' 17' ' ' LEU . 2.8 m-85 -106.09 109.1 20.94 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.18 -0.464 . . . . 73.209999999999994 110.867 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . 0.744 ' CZ ' HG22 ' H' ' 31' ' ' ILE . 4.5 m-30 59.79 64.1 1.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.162 -0.472 . . . . 72.049999999999997 110.889 -179.9 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.61 137.02 35.26 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 65.420000000000002 111.075 179.901 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.15 77.46 0.24 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 60.340000000000003 110.854 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.613 ' CG1' HG23 ' J' ' 24' ' ' VAL . 7.2 p -113.4 137.52 46.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 75.310000000000002 111.099 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.55 -46.3 55.79 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 43.329999999999998 112.451 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 12.0 m -160.47 125.32 3.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.892 0.377 . . . . 64.340000000000003 110.865 -179.767 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . 0.436 ' OD1' HG21 ' I' ' 24' ' ' VAL . 20.8 m-20 -106.44 99.82 9.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.121 -0.491 . . . . 62.520000000000003 110.874 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.57 161.67 18.3 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.191 -0.459 . . . . 73.019999999999996 110.864 179.886 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.45 -135.47 44.95 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.747 -0.74 . . . . 63.0 112.485 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.524 ' HB2' ' CE2' ' D' ' 4' ' ' PHE . . . -82.72 113.78 20.62 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.724 0.297 . . . . 72.230000000000004 111.141 179.949 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.726 HG22 ' CZ ' ' J' ' 20' ' ' PHE . 2.1 mp -121.9 110.38 27.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.189 -0.46 . . . . 65.209999999999994 111.16 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 13.6 mt -133.11 119.0 34.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 62.130000000000003 111.171 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.04 -46.87 68.66 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.701 -0.761 . . . . 73.439999999999998 112.526 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.751 HD22 ' O ' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -168.56 149.14 4.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.746 0.308 . . . . 62.210000000000001 110.959 -179.95 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 1.5 mtp -122.33 120.51 34.26 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 73.140000000000001 110.879 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.527 HG23 HD23 ' I' ' 34' ' ' LEU . 74.2 t -121.26 110.71 28.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.199 -0.455 . . . . 73.340000000000003 111.101 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.16 25.67 25.99 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.748 -0.739 . . . . 72.329999999999998 112.539 -179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.01 -169.27 26.12 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.786 -0.721 . . . . 75.400000000000006 112.482 -179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 0.548 ' O ' HG23 ' J' ' 39' ' ' VAL . 3.7 p -168.07 120.16 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-O 120.847 0.356 . . . . 72.230000000000004 111.182 -179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . 0.734 HG22 ' HA ' ' H' ' 40' ' ' VAL . 18.6 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 75.549999999999997 111.115 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.842 0.354 . . . . 65.430000000000007 110.928 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -93.88 87.37 5.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 55.039999999999999 111.111 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 mp0 -56.47 -25.01 49.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.198 -0.455 . . . . 75.140000000000001 110.864 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 4' ' ' PHE . . . . . 0.412 ' CZ ' ' HB2' ' E' ' 30' ' ' ALA . 0.3 OUTLIER -167.66 115.44 0.76 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.146 -0.479 . . . . 74.450000000000003 110.916 -179.899 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -127.77 109.03 11.24 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.14 -0.482 . . . . 75.530000000000001 110.905 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 63.6 t60 -107.4 119.97 40.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.18 -0.464 . . . . 63.219999999999999 110.845 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -126.21 101.17 6.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.448 . . . . 71.049999999999997 110.849 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 2.9 m -149.27 171.58 16.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 71.219999999999999 110.876 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.6 -8.96 44.94 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.726 -0.75 . . . . 41.420000000000002 112.445 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -170.98 112.58 0.39 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.844 0.354 . . . . 74.209999999999994 110.884 -179.763 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 3.8 tt0 -101.99 120.28 40.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 72.530000000000001 110.864 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 49.0 t -131.23 114.97 27.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.485 . . . . 52.009999999999998 111.138 179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 61.2 m170 -115.48 122.68 46.48 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 72.200000000000003 110.891 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -132.24 117.42 18.19 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 74.400000000000006 110.839 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 7.6 pt20 -124.07 136.04 53.98 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.188 -0.46 . . . . 72.349999999999994 110.928 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . 0.596 ' O ' HD22 ' J' ' 17' ' ' LEU . 0.8 OUTLIER -124.65 115.54 20.95 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.229 -0.441 . . . . 71.099999999999994 110.886 179.948 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.596 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.3 mm? -126.44 105.96 9.14 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 72.430000000000007 110.861 179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.704 ' CG2' HG12 ' I' ' 18' ' ' VAL . 30.6 m -115.9 122.44 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.211 -0.449 . . . . 73.349999999999994 111.186 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . . . . . . . . . 2.2 m-85 -107.1 108.29 19.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.188 -0.46 . . . . 65.109999999999999 110.887 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . 0.726 ' CZ ' HG22 ' I' ' 31' ' ' ILE . 4.5 m-30 60.02 64.23 1.3 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.132 -0.486 . . . . 75.430000000000007 110.888 -179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.5 137.05 36.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.083 -0.508 . . . . 62.43 111.083 179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.91 77.8 0.22 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.195 -0.457 . . . . 71.25 110.867 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.613 HG23 ' CG1' ' I' ' 24' ' ' VAL . 7.0 p -114.28 137.58 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 63.32 111.088 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.68 -46.63 53.26 Favored Glycine 0 N--CA 1.452 -0.256 0 C-N-CA 120.737 -0.744 . . . . 55.030000000000001 112.479 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 11.5 m -161.02 124.76 3.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.888 0.375 . . . . 44.109999999999999 110.839 -179.732 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 15.5 m-20 -105.79 99.28 8.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.147 -0.479 . . . . 75.409999999999997 110.912 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.72 162.26 17.96 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 71.439999999999998 110.917 179.932 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.08 -134.99 40.08 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.788 -0.72 . . . . 60.350000000000001 112.516 179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 0.446 ' HB2' ' CE2' ' E' ' 4' ' ' PHE . . . -82.4 113.45 20.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.805 0.336 . . . . 63.409999999999997 111.102 179.955 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.451 HG23 ' HE2' ' J' ' 20' ' ' PHE . 2.2 mp -119.92 112.14 35.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 62.32 111.126 179.957 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 11.6 mt -130.25 114.28 28.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.197 -0.456 . . . . 54.009999999999998 111.14 179.799 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -54.9 -43.14 81.77 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.717 -0.754 . . . . 45.350000000000001 112.53 179.893 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.66 HD22 ' O ' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -168.73 146.81 4.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.82 0.343 . . . . 74.519999999999996 110.919 -179.982 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 2.1 mtp -123.54 120.05 31.71 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.166 -0.47 . . . . 74.200000000000003 110.916 179.827 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.456 HG23 HD23 ' J' ' 34' ' ' LEU . 82.0 t -127.83 109.95 21.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.252 -0.431 . . . . 51.32 111.128 179.953 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.95 24.93 22.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.673 -0.775 . . . . 74.519999999999996 112.553 179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.08 -168.65 26.01 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.762 -0.732 . . . . 65.109999999999999 112.455 -179.858 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.548 HG23 ' O ' ' I' ' 39' ' ' VAL . 4.0 p -168.25 121.56 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.831 0.348 . . . . 55.409999999999997 111.146 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.631 HG22 ' HA ' ' I' ' 40' ' ' VAL . 18.2 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 60.439999999999998 111.138 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.828 0.347 . . . . 41.399999999999999 110.817 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.75 78.16 1.1 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 51.520000000000003 111.12 179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.408 ' HA ' ' HA2' ' F' ' 29' ' ' GLY . 1.8 mp0 -53.96 -47.84 70.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.227 -0.442 . . . . 71.530000000000001 110.909 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.614 ' CZ ' ' HB2' ' F' ' 30' ' ' ALA . 17.5 m-85 -142.51 113.13 7.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 42.299999999999997 110.891 -179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -138.33 108.62 6.47 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 73.120000000000005 110.869 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -111.67 130.86 55.63 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.169 -0.469 . . . . 73.129999999999995 110.861 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -135.33 101.89 4.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.2 -0.455 . . . . 71.540000000000006 110.885 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -154.77 127.63 8.15 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 54.200000000000003 110.833 -179.772 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.62 -28.98 31.25 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.74 -0.743 . . . . 73.019999999999996 112.505 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 7.1 m-85 -149.62 112.46 4.82 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.844 0.354 . . . . 74.120000000000005 110.912 -179.804 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 tt0 -110.04 124.06 50.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.133 -0.485 . . . . 73.010000000000005 110.907 179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 23.8 t -135.33 113.56 15.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 71.420000000000002 111.127 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 60.8 m170 -120.03 132.75 55.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 73.540000000000006 110.83 179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -134.95 122.68 22.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 54.409999999999997 110.893 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -129.2 132.87 47.34 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 72.010000000000005 110.89 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -128.57 116.4 19.58 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.178 -0.465 . . . . 73.319999999999993 110.906 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.473 HD12 ' HE1' ' A' ' 19' ' ' PHE . 3.8 mm? -115.05 110.85 20.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.209 -0.451 . . . . 70.450000000000003 110.913 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.716 HG12 ' CG2' ' B' ' 18' ' ' VAL . 27.0 m -115.66 122.37 69.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.23 -0.441 . . . . 75.010000000000005 111.115 179.839 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.473 ' HE1' HD12 ' A' ' 17' ' ' LEU . 8.8 m-85 -105.99 107.63 18.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 74.239999999999995 110.854 -179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.7 m-30 59.16 89.37 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 65.239999999999995 110.878 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -111.31 129.79 55.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 72.430000000000007 111.092 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 62.96 102.88 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.213 -0.449 . . . . 64.430000000000007 110.909 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.69 HG13 HG23 ' B' ' 24' ' ' VAL . 13.5 p -146.22 135.7 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.253 -0.431 . . . . 75.25 111.109 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.54 -48.76 84.44 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.799 -0.715 . . . . 71.439999999999998 112.492 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 16.3 m -160.57 139.78 10.64 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.894 0.378 . . . . 42.439999999999998 110.87 -179.741 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.47 ' OD1' HG21 ' A' ' 24' ' ' VAL . 60.8 m-20 -114.38 103.47 11.09 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 70.129999999999995 110.932 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.7 tptm -115.31 176.3 5.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.456 . . . . 75.109999999999999 110.921 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.28 -135.38 27.57 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.731 -0.747 . . . . 62.109999999999999 112.515 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.544 ' HB2' ' CZ ' ' F' ' 4' ' ' PHE . . . -87.96 113.8 23.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.743 0.306 . . . . 71.219999999999999 111.1 179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.679 HG22 ' CZ ' ' B' ' 20' ' ' PHE . 1.9 mp -122.57 106.69 18.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 41.119999999999997 111.122 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.7 mt -135.17 117.41 21.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 64.109999999999999 111.115 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.54 -49.67 20.42 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.769 -0.729 . . . . 71.310000000000002 112.47 179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.835 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -155.94 152.29 28.05 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.783 0.325 . . . . 64.409999999999997 110.915 -179.927 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.45 ' HE1' HG12 ' B' ' 39' ' ' VAL . 7.8 mmm -125.26 123.03 38.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 74.549999999999997 110.84 179.878 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.743 HG21 HG21 ' F' ' 36' ' ' VAL . 90.7 t -109.22 115.12 48.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.179 -0.464 . . . . 45.329999999999998 111.091 179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.67 -51.06 0.78 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.735 -0.745 . . . . 71.5 112.517 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.23 152.68 6.55 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.702 -0.761 . . . . 74.209999999999994 112.45 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.926 HG23 HG13 ' B' ' 39' ' ' VAL . 4.0 p -114.78 143.2 25.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.848 0.356 . . . . 61.020000000000003 111.132 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.659 ' CG2' HG12 ' B' ' 40' ' ' VAL . 18.4 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 72.519999999999996 111.068 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.838 0.351 . . . . 73.219999999999999 110.903 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.54 78.57 1.15 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 75.25 111.068 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.403 ' HA ' ' HA2' ' G' ' 29' ' ' GLY . 1.8 mp0 -54.0 -46.5 71.78 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.173 -0.467 . . . . 74.019999999999996 110.897 -179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.645 ' CZ ' ' HB2' ' G' ' 30' ' ' ALA . 14.7 m-85 -144.09 113.4 6.94 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 75.340000000000003 110.953 -179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.2 mmt180 -135.96 109.33 7.87 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 72.209999999999994 110.901 -179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -112.23 131.29 55.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 73.430000000000007 110.88 -179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -135.81 102.24 5.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 65.040000000000006 110.828 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 10.7 t -156.27 126.79 6.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.203 -0.453 . . . . 62.130000000000003 110.907 -179.815 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.3 -28.35 34.81 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 72.319999999999993 112.491 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 7.2 m-85 -149.65 111.43 4.55 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.859 0.362 . . . . 72.299999999999997 110.919 -179.821 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -106.85 125.16 50.64 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 75.420000000000002 110.895 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 24.4 t -134.3 113.39 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.16 -0.473 . . . . 71.299999999999997 111.117 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 60.0 m170 -120.34 131.6 54.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 62.43 110.842 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -134.81 123.29 23.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.219 -0.446 . . . . 64.239999999999995 110.824 -179.945 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -129.07 132.54 47.45 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.246 -0.433 . . . . 64.400000000000006 110.911 -179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -126.94 115.82 19.85 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.215 -0.448 . . . . 52.219999999999999 110.917 179.936 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.529 HD12 ' HE1' ' B' ' 19' ' ' PHE . 3.7 mm? -118.19 109.95 16.99 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 72.310000000000002 110.929 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.722 HG12 ' CG2' ' C' ' 18' ' ' VAL . 33.0 m -117.3 121.55 67.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 75.540000000000006 111.099 179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.529 ' HE1' HD12 ' B' ' 17' ' ' LEU . 3.9 m-30 -103.94 110.13 22.16 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.128 -0.487 . . . . 74.120000000000005 110.903 179.983 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.679 ' CZ ' HG22 ' A' ' 31' ' ' ILE . 4.5 m-30 59.3 88.87 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 71.420000000000002 110.887 -179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.5 129.42 55.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 74.349999999999994 111.149 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 62.92 103.72 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.252 -0.431 . . . . 65.219999999999999 110.872 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.69 HG23 HG13 ' A' ' 24' ' ' VAL . 13.9 p -147.48 134.1 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.207 -0.451 . . . . 73.140000000000001 111.11 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.93 -47.2 92.45 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.752 -0.737 . . . . 61.520000000000003 112.521 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 16.5 m -160.45 139.28 10.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.878 0.37 . . . . 71.420000000000002 110.858 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.542 ' OD1' HG21 ' B' ' 24' ' ' VAL . 57.6 m-20 -113.78 103.42 11.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.482 . . . . 72.140000000000001 110.897 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tptm -115.57 177.28 4.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 73.430000000000007 110.899 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.52 -135.49 28.57 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.782 -0.723 . . . . 54.109999999999999 112.488 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.566 ' HB2' ' CZ ' ' G' ' 4' ' ' PHE . . . -88.74 113.69 24.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.759 0.314 . . . . 65.219999999999999 111.058 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.687 HG22 ' CZ ' ' C' ' 20' ' ' PHE . 1.9 mp -122.41 106.67 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 72.140000000000001 111.123 179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -133.77 117.49 26.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.157 -0.474 . . . . 75.340000000000003 111.12 179.875 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.422 ' HA3' ' HB3' ' B' ' 19' ' ' PHE . . . -46.59 -50.45 14.18 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.725 -0.75 . . . . 55.109999999999999 112.516 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.829 ' N ' HD13 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -154.85 150.97 28.04 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.812 0.339 . . . . 64.200000000000003 110.949 -179.962 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 14.4 mmm -123.72 120.56 33.05 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 62.0 110.865 179.882 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.706 HG21 HG21 ' G' ' 36' ' ' VAL . 88.4 t -110.02 114.69 47.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.233 -0.44 . . . . 73.209999999999994 111.062 -179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.8 -50.9 0.79 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.698 -0.763 . . . . 73.150000000000006 112.466 179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.34 151.96 6.19 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.75 . . . . 64.430000000000007 112.498 -179.88 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.939 HG23 HG13 ' C' ' 39' ' ' VAL . 3.3 p -115.77 143.0 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 62.119999999999997 111.145 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.659 HG12 ' CG2' ' A' ' 40' ' ' VAL . 18.6 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 74.120000000000005 111.124 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 . . . . . 0 C--O 1.23 0.036 0 CA-C-O 120.852 0.358 . . . . 73.0 110.854 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . 0.403 ' HA ' ' HB3' ' D' ' 2' ' ' ALA . . . -113.69 78.23 1.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.124 -0.489 . . . . 73.209999999999994 111.103 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.4 ' HA ' ' HA2' ' H' ' 29' ' ' GLY . 1.8 mp0 -54.15 -46.86 72.37 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.24 -0.437 . . . . 73.420000000000002 110.871 -179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . 0.642 ' CZ ' ' HB2' ' H' ' 30' ' ' ALA . 16.9 m-85 -143.59 113.76 7.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 72.109999999999999 110.883 -179.937 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -134.89 108.71 8.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.159 -0.473 . . . . 75.340000000000003 110.842 -179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -112.21 130.35 55.95 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.187 -0.46 . . . . 73.409999999999997 110.859 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -134.7 101.9 5.09 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.448 . . . . 73.450000000000003 110.822 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -156.17 126.85 6.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.145 -0.48 . . . . 74.109999999999999 110.876 -179.81 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.66 -28.14 37.11 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.744 -0.741 . . . . 71.230000000000004 112.458 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -149.5 112.28 4.81 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.897 0.379 . . . . 65.239999999999995 110.886 -179.788 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 7.6 tt0 -106.46 125.3 50.82 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.114 -0.494 . . . . 74.519999999999996 110.877 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 24.1 t -133.98 113.52 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 64.310000000000002 111.148 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 59.8 m170 -120.0 131.18 55.06 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.189 -0.46 . . . . 73.299999999999997 110.838 179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -134.98 122.48 21.93 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 61.32 110.883 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -129.68 132.48 46.68 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 74.450000000000003 110.928 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -125.65 115.91 20.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 71.209999999999994 110.916 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.525 HD12 ' HE1' ' C' ' 19' ' ' PHE . 3.7 mm? -119.36 110.01 16.46 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 62.5 110.93 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.722 ' CG2' HG12 ' B' ' 18' ' ' VAL . 34.7 m -117.8 122.26 69.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 74.209999999999994 111.173 179.833 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.525 ' HE1' HD12 ' C' ' 17' ' ' LEU . 2.9 m-30 -103.55 110.47 22.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 73.25 110.844 -179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.687 ' CZ ' HG22 ' B' ' 31' ' ' ILE . 4.3 m-30 59.0 88.69 0.07 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.129 -0.487 . . . . 74.310000000000002 110.907 -179.922 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.55 129.58 55.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 62.340000000000003 111.087 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.32 103.38 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 71.430000000000007 110.85 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.688 HG23 HG13 ' B' ' 24' ' ' VAL . 14.8 p -147.8 133.3 11.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 72.25 111.147 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.42 -46.56 94.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.69 -0.767 . . . . 72.319999999999993 112.489 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 16.8 m -160.16 139.6 11.02 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.849 0.356 . . . . 61.030000000000001 110.905 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.547 ' OD1' HG21 ' C' ' 24' ' ' VAL . 57.0 m-20 -113.55 103.31 11.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.144 -0.48 . . . . 72.349999999999994 110.894 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.406 ' C ' HD11 ' C' ' 31' ' ' ILE . 1.6 tptm -116.0 177.59 4.62 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 64.420000000000002 110.919 179.865 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.49 -135.51 28.42 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 72.239999999999995 112.464 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.554 ' HB2' ' CZ ' ' H' ' 4' ' ' PHE . . . -88.48 113.71 24.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.769 0.319 . . . . 70.430000000000007 111.109 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.687 HG22 ' CZ ' ' D' ' 20' ' ' PHE . 1.9 mp -122.69 106.57 17.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.215 -0.448 . . . . 72.319999999999993 111.116 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -133.62 118.32 30.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 71.239999999999995 111.112 179.889 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.429 ' HA3' ' HB3' ' C' ' 19' ' ' PHE . . . -47.11 -50.92 15.15 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.722 -0.751 . . . . 71.140000000000001 112.487 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.832 ' N ' HD13 ' C' ' 34' ' ' LEU . 0.0 OUTLIER -153.75 150.98 29.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.812 0.339 . . . . 74.319999999999993 110.932 -179.902 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 15.8 mmm -124.87 119.14 27.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.203 -0.453 . . . . 63.229999999999997 110.916 179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.747 HG21 HG21 ' H' ' 36' ' ' VAL . 86.6 t -110.26 115.54 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 62.310000000000002 111.124 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.06 -51.45 0.76 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.712 -0.756 . . . . 55.240000000000002 112.487 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.47 151.71 6.11 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.776 -0.726 . . . . 54.240000000000002 112.509 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.939 HG13 HG23 ' B' ' 39' ' ' VAL . 3.2 p -115.05 142.85 26.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.86 0.362 . . . . 73.209999999999994 111.169 -179.991 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.646 ' CG2' HG12 ' D' ' 40' ' ' VAL . 19.7 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 53.420000000000002 111.152 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 17.9 m-20 . . . . . 0 C--O 1.231 0.116 0 CA-C-O 120.793 0.33 . . . . 63.329999999999998 110.853 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . 0.403 ' HB3' ' HA ' ' C' ' 2' ' ' ALA . . . -113.12 76.45 0.98 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 71.549999999999997 111.095 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . 0.4 ' HA ' ' HA2' ' I' ' 29' ' ' GLY . 1.8 mp0 -53.33 -47.71 69.1 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.181 -0.463 . . . . 73.310000000000002 110.874 -179.954 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . 0.631 ' CZ ' ' HB2' ' I' ' 30' ' ' ALA . 17.8 m-85 -143.7 113.57 7.18 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 63.399999999999999 110.846 -179.863 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 6.2 mmt180 -133.24 108.54 8.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 74.120000000000005 110.873 -179.93 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 3.3 t60 -111.79 129.51 56.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 65.120000000000005 110.852 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -133.31 101.27 5.11 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 72.400000000000006 110.828 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -156.71 127.09 6.55 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.216 -0.447 . . . . 75.310000000000002 110.872 -179.754 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.85 -27.62 44.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.729 -0.748 . . . . 72.450000000000003 112.481 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 7.6 m-85 -149.3 112.93 5.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.827 0.346 . . . . 75.409999999999997 110.909 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -106.48 126.06 51.79 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.063 -0.517 . . . . 72.409999999999997 110.906 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 24.6 t -134.07 114.13 18.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 64.450000000000003 111.136 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 59.6 m170 -120.04 132.26 55.4 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 63.219999999999999 110.863 179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -135.73 122.81 21.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 64.420000000000002 110.808 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -130.25 132.08 45.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 73.319999999999993 110.905 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -124.73 115.49 20.81 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 73.430000000000007 110.89 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.434 ' CB ' HD13 ' E' ' 17' ' ' LEU . 3.8 mm? -121.12 110.16 15.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 72.019999999999996 110.93 179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.705 ' CG2' HG12 ' C' ' 18' ' ' VAL . 26.8 m -118.36 122.74 70.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 71.010000000000005 111.094 179.854 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.43 ' HE1' HD12 ' D' ' 17' ' ' LEU . 2.2 m-30 -102.59 109.64 21.32 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.173 -0.467 . . . . 74.140000000000001 110.87 -179.968 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.687 ' CZ ' HG22 ' C' ' 31' ' ' ILE . 4.4 m-30 59.03 89.17 0.06 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 43.310000000000002 110.866 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.94 129.44 55.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 62.420000000000002 111.122 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.71 103.04 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.194 -0.457 . . . . 54.420000000000002 110.847 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.671 HG23 HG13 ' C' ' 24' ' ' VAL . 14.5 p -148.05 133.0 10.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 65.200000000000003 111.182 179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.64 -46.62 93.88 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.757 -0.735 . . . . 45.109999999999999 112.518 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 17.1 m -159.74 139.87 11.78 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.903 0.382 . . . . 62.030000000000001 110.886 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.544 ' OD1' HG21 ' D' ' 24' ' ' VAL . 57.4 m-20 -113.02 103.15 11.1 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 54.009999999999998 110.888 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.418 ' C ' HD11 ' D' ' 31' ' ' ILE . 1.7 tptm -116.64 177.71 4.6 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 73.310000000000002 110.878 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.96 -134.83 31.32 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.728 -0.749 . . . . 63.009999999999998 112.485 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.547 ' HB2' ' CZ ' ' I' ' 4' ' ' PHE . . . -89.14 113.94 25.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.799 0.333 . . . . 72.219999999999999 111.12 179.978 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.7 HG22 ' CZ ' ' E' ' 20' ' ' PHE . 1.9 mp -122.99 106.86 18.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.228 -0.442 . . . . 54.32 111.14 -179.989 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -133.61 120.25 36.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.191 -0.459 . . . . 63.329999999999998 111.095 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . 0.469 ' C ' HD13 ' D' ' 34' ' ' LEU . . . -48.96 -52.89 20.32 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.722 -0.751 . . . . 65.040000000000006 112.505 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.817 ' N ' HD13 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -151.19 148.96 28.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.778 0.323 . . . . 72.340000000000003 110.895 -179.931 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 15.7 mmm -124.06 118.38 26.83 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.166 -0.47 . . . . 65.129999999999995 110.893 179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.855 HG21 HG21 ' I' ' 36' ' ' VAL . 85.0 t -111.46 116.0 51.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 72.540000000000006 111.126 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.56 -51.96 0.73 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.79 -0.719 . . . . 73.329999999999998 112.494 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.18 152.25 6.28 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.737 -0.744 . . . . 45.119999999999997 112.483 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.9 HG13 HG23 ' C' ' 39' ' ' VAL . 3.2 p -114.86 143.02 25.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-O 120.916 0.389 . . . . 71.420000000000002 111.116 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.653 ' CG2' HG12 ' E' ' 40' ' ' VAL . 19.2 m . . . . . 0 C--N 1.33 -0.254 0 CA-C-N 116.137 -0.483 . . . . 72.5 111.101 179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.833 0.349 . . . . 74.430000000000007 110.839 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.0 79.61 1.28 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 70.030000000000001 111.096 179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . 0.414 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . 1.8 mp0 -51.36 -46.28 62.66 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 72.239999999999995 110.893 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . 0.612 ' CZ ' ' HB2' ' J' ' 30' ' ' ALA . 19.6 m-85 -143.53 114.9 7.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.123 -0.489 . . . . 71.129999999999995 110.866 -179.874 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -131.64 107.7 9.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.127 -0.488 . . . . 74.420000000000002 110.893 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -112.35 128.93 56.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.201 -0.454 . . . . 73.25 110.899 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -131.4 100.26 5.1 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 72.400000000000006 110.836 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -157.07 127.93 6.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 71.409999999999997 110.854 -179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -58.19 -25.88 57.88 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.72 -0.752 . . . . 61.329999999999998 112.493 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -149.22 112.16 4.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.87 0.366 . . . . 72.140000000000001 110.875 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tt0 -105.58 126.5 52.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.085 -0.507 . . . . 75.409999999999997 110.89 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 24.6 t -132.8 114.29 21.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.135 -0.484 . . . . 71.209999999999994 111.116 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -119.99 131.18 55.07 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 75.329999999999998 110.867 179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -134.79 122.83 22.64 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.232 -0.44 . . . . 74.109999999999999 110.874 -179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -132.32 132.96 43.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.234 -0.439 . . . . 72.409999999999997 110.917 -179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . 0.412 ' O ' HD22 ' E' ' 17' ' ' LEU . 6.7 tttp -125.48 114.97 19.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 72.219999999999999 110.929 179.918 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.434 HD13 ' CB ' ' D' ' 17' ' ' LEU . 3.9 mm? -121.75 107.7 12.64 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.25 -0.432 . . . . 70.129999999999995 110.906 179.943 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.691 ' CG2' HG12 ' D' ' 18' ' ' VAL . 29.3 m -115.31 125.45 72.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-N 116.163 -0.471 . . . . 74.349999999999994 111.165 179.785 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 1.8 m-85 -102.85 108.72 20.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.156 -0.475 . . . . 75.329999999999998 110.869 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.7 ' CZ ' HG22 ' D' ' 31' ' ' ILE . 4.6 m-30 59.44 89.87 0.06 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.155 -0.475 . . . . 70.230000000000004 110.866 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.84 129.87 55.59 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.174 -0.466 . . . . 74.439999999999998 111.088 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.04 104.66 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 75.549999999999997 110.87 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.659 HG23 ' CG1' ' D' ' 24' ' ' VAL . 13.7 p -150.06 132.76 6.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 74.239999999999995 111.138 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.45 -46.42 93.86 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.754 -0.736 . . . . 55.350000000000001 112.478 179.972 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 16.4 m -160.25 140.1 11.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.37 . . . . 74.430000000000007 110.826 -179.706 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.541 ' OD1' HG21 ' E' ' 24' ' ' VAL . 56.0 m-20 -112.12 102.4 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.132 -0.486 . . . . 71.239999999999995 110.882 179.996 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.9 tptm -116.76 178.15 4.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.199 -0.455 . . . . 73.150000000000006 110.893 179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.6 -134.39 34.42 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.705 -0.759 . . . . 71.040000000000006 112.498 179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.524 ' HB2' ' CZ ' ' J' ' 4' ' ' PHE . . . -88.93 113.76 24.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.799 0.333 . . . . 74.409999999999997 111.105 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.444 HG23 ' HE2' ' E' ' 20' ' ' PHE . 2.0 mp -122.63 107.31 19.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.23 -0.441 . . . . 73.019999999999996 111.136 179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -132.32 118.22 35.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.131 -0.486 . . . . 75.299999999999997 111.132 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . 0.613 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -49.73 -49.33 34.57 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.75 -0.738 . . . . 74.219999999999999 112.493 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.741 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -152.15 150.89 30.36 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.78 0.324 . . . . 63.530000000000001 110.971 -179.977 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 24.2 mmm -128.82 118.26 22.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.2 -0.454 . . . . 72.209999999999994 110.866 179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.913 HG21 HG21 ' J' ' 36' ' ' VAL . 85.7 t -117.11 115.71 49.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.194 -0.457 . . . . 74.230000000000004 111.137 179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.48 -49.64 0.86 Allowed Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.766 -0.73 . . . . 71.129999999999995 112.487 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . 134.58 151.24 6.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.748 . . . . 71.219999999999999 112.496 -179.929 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.88 HG13 HG23 ' D' ' 39' ' ' VAL . 3.9 p -115.45 142.48 28.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.856 0.36 . . . . 52.340000000000003 111.15 -179.951 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.653 HG12 ' CG2' ' D' ' 40' ' ' VAL . 19.1 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 61.240000000000002 111.125 179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 18.0 m-20 . . . . . 0 C--O 1.231 0.093 0 CA-C-O 120.805 0.336 . . . . 74.439999999999998 110.884 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . 0.4 ' HA ' ' HB3' ' G' ' 2' ' ' ALA . . . -112.42 77.19 1.02 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 73.510000000000005 111.11 179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -52.82 -50.2 64.14 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.244 -0.434 . . . . 52.520000000000003 110.853 -179.927 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . 0.544 ' CZ ' ' HB2' ' A' ' 30' ' ' ALA . 14.9 m-85 -140.82 113.97 8.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.171 -0.468 . . . . 74.439999999999998 110.905 -179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -137.98 109.08 6.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 75.420000000000002 110.82 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -111.23 130.36 55.67 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 72.409999999999997 110.849 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -135.05 102.19 5.13 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.165 -0.471 . . . . 71.340000000000003 110.878 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 10.7 t -154.76 127.37 8.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 61.130000000000003 110.813 -179.777 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -52.65 -29.17 31.97 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 52.219999999999999 112.5 179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -149.51 112.28 4.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.896 0.379 . . . . 74.239999999999995 110.909 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 8.0 tt0 -109.16 124.07 50.23 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.113 -0.494 . . . . 73.040000000000006 110.866 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 23.2 t -134.29 113.55 17.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.15 -0.477 . . . . 73.0 111.128 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 65.1 m170 -120.69 132.4 55.07 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 73.549999999999997 110.846 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 5.4 m-70 -135.79 121.9 20.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 71.420000000000002 110.854 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mt-30 -129.66 133.02 46.87 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.198 -0.456 . . . . 63.020000000000003 110.903 -179.943 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 6.6 tttp -129.31 116.96 19.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.466 . . . . 74.209999999999994 110.874 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.465 HD12 ' HE1' ' F' ' 19' ' ' PHE . 3.8 mm? -114.73 111.34 21.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.209 -0.45 . . . . 71.409999999999997 110.896 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.715 HG12 ' CG2' ' G' ' 18' ' ' VAL . 27.9 m -115.73 122.4 69.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 74.510000000000005 111.096 179.852 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.465 ' HE1' HD12 ' F' ' 17' ' ' LEU . 8.8 m-85 -105.27 107.96 19.23 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.159 -0.473 . . . . 74.25 110.882 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 59.33 88.76 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.48 . . . . 74.030000000000001 110.878 -179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.63 129.98 55.68 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 55.420000000000002 111.087 179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.78 103.27 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 72.329999999999998 110.853 179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.665 ' CG1' HG23 ' G' ' 24' ' ' VAL . 14.3 p -146.13 134.94 16.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.222 -0.445 . . . . 65.450000000000003 111.153 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.8 -48.64 84.24 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.766 -0.731 . . . . 71.420000000000002 112.487 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 17.1 m -160.64 139.59 10.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.901 0.382 . . . . 55.140000000000001 110.854 -179.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . 0.42 ' HB3' HD13 ' F' ' 31' ' ' ILE . 49.3 m-20 -109.4 102.81 11.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.164 -0.471 . . . . 74.439999999999998 110.854 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 tptm -114.34 173.64 6.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 54.210000000000001 110.87 179.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . 0.408 ' HA2' ' HA ' ' A' ' 3' ' ' GLU . . . 50.11 -139.89 18.69 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.698 -0.763 . . . . 64.129999999999995 112.528 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.614 ' HB2' ' CZ ' ' A' ' 4' ' ' PHE . . . -87.26 114.52 23.94 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.776 0.322 . . . . 72.129999999999995 111.067 180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.66 HG22 ' CZ ' ' G' ' 20' ' ' PHE . 2.0 mp -120.96 109.08 24.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 75.120000000000005 111.1 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.6 mt -133.61 117.05 25.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 61.539999999999999 111.125 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.03 -50.14 16.41 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.755 -0.736 . . . . 64.219999999999999 112.462 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.833 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -156.84 152.39 26.79 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.808 0.337 . . . . 64.049999999999997 110.914 -179.954 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . 0.459 ' HE1' HG12 ' G' ' 39' ' ' VAL . 8.8 mmm -124.86 122.89 38.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.469 . . . . 44.399999999999999 110.882 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.743 HG21 HG21 ' A' ' 36' ' ' VAL . 90.4 t -109.15 114.61 47.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 73.209999999999994 111.128 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.95 -50.8 0.8 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.769 -0.729 . . . . 64.319999999999993 112.465 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . 135.13 152.92 6.62 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.699 -0.763 . . . . 71.439999999999998 112.491 -179.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.953 HG23 HG13 ' G' ' 39' ' ' VAL . 3.8 p -114.5 142.93 25.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.866 0.365 . . . . 74.129999999999995 111.156 -179.972 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.644 ' CG2' HG12 ' G' ' 40' ' ' VAL . 18.9 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.211 -0.449 . . . . 65.420000000000002 111.094 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 18.1 m-20 . . . . . 0 C--O 1.231 0.103 0 CA-C-O 120.802 0.335 . . . . 51.219999999999999 110.83 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' G' G ' 2' ' ' ALA . . . . . 0.4 ' HB3' ' HA ' ' F' ' 2' ' ' ALA . . . -112.06 76.74 0.99 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 71.400000000000006 111.067 179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -52.88 -49.77 65.19 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.202 -0.453 . . . . 75.140000000000001 110.887 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 4' ' ' PHE . . . . . 0.566 ' CZ ' ' HB2' ' B' ' 30' ' ' ALA . 15.6 m-85 -141.95 114.37 8.33 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 74.420000000000002 110.89 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 7.3 mmt180 -136.41 110.66 8.4 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 72.239999999999995 110.86 -179.886 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -112.84 131.19 55.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.46 . . . . 74.549999999999997 110.858 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -135.75 102.37 5.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 72.049999999999997 110.873 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 10.7 t -156.3 126.63 6.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.172 -0.467 . . . . 71.239999999999995 110.881 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.46 -28.24 35.83 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.756 -0.735 . . . . 65.099999999999994 112.473 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -149.45 111.42 4.6 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.808 0.337 . . . . 61.039999999999999 110.916 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -106.95 124.93 50.34 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.112 -0.495 . . . . 72.230000000000004 110.898 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 23.7 t -134.23 113.76 17.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 24.219999999999999 111.119 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 62.9 m170 -120.44 131.35 54.73 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.168 -0.469 . . . . 74.409999999999997 110.86 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -134.55 122.85 22.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.208 -0.451 . . . . 74.310000000000002 110.891 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -129.51 132.62 46.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.238 -0.437 . . . . 75.519999999999996 110.9 -179.896 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 6.7 tttp -127.37 115.69 19.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 71.329999999999998 110.897 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.527 HD12 ' HE1' ' G' ' 19' ' ' PHE . 3.7 mm? -117.69 110.16 17.52 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.206 -0.452 . . . . 73.329999999999998 110.945 179.931 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.715 ' CG2' HG12 ' F' ' 18' ' ' VAL . 35.5 m -117.5 121.75 68.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.236 -0.438 . . . . 71.530000000000001 111.144 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.527 ' HE1' HD12 ' G' ' 17' ' ' LEU . 3.8 m-30 -103.46 109.89 21.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.167 -0.47 . . . . 64.140000000000001 110.9 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 0.66 ' CZ ' HG22 ' F' ' 31' ' ' ILE . 4.3 m-30 59.13 88.21 0.07 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 71.450000000000003 110.863 -179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.27 130.44 55.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.115 -0.493 . . . . 42.439999999999998 111.074 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 63.56 103.08 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.169 -0.469 . . . . 65.219999999999999 110.804 179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.687 HG13 HG23 ' H' ' 24' ' ' VAL . 13.3 p -147.08 133.72 13.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.2 -0.454 . . . . 65.109999999999999 111.141 179.976 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.25 -47.35 91.5 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.742 -0.742 . . . . 44.329999999999998 112.515 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 18.2 m -160.59 139.39 10.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.899 0.38 . . . . 74.329999999999998 110.857 -179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . 0.471 ' OD1' HG21 ' G' ' 24' ' ' VAL . 54.7 m-20 -110.41 103.63 12.29 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.101 -0.499 . . . . 75.219999999999999 110.925 179.997 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -114.57 174.64 5.86 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.195 -0.457 . . . . 64.310000000000002 110.931 179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . 0.403 ' HA2' ' HA ' ' B' ' 3' ' ' GLU . . . 50.46 -140.14 20.12 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.706 -0.759 . . . . 72.109999999999999 112.506 179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.645 ' HB2' ' CZ ' ' B' ' 4' ' ' PHE . . . -87.06 114.54 23.76 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.738 0.304 . . . . 61.340000000000003 111.117 179.977 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.672 HG22 ' CZ ' ' H' ' 20' ' ' PHE . 2.0 mp -120.99 108.8 23.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.45 . . . . 62.109999999999999 111.087 -179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 2.5 mt -132.67 117.55 31.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 72.129999999999995 111.098 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . 0.415 ' HA3' ' HB3' ' G' ' 19' ' ' PHE . . . -47.18 -50.94 15.51 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.719 -0.753 . . . . 44.229999999999997 112.467 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.831 ' N ' HD13 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -154.82 150.98 28.09 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.778 0.323 . . . . 64.409999999999997 110.912 -179.924 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 14.1 mmm -124.06 120.56 32.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.155 -0.475 . . . . 73.409999999999997 110.876 179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.706 HG21 HG21 ' B' ' 36' ' ' VAL . 90.3 t -109.9 114.43 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.241 -0.436 . . . . 74.140000000000001 111.142 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 120.03 -51.09 0.79 Allowed Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.767 -0.73 . . . . 43.140000000000001 112.509 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.18 152.44 6.32 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.749 -0.739 . . . . 34.520000000000003 112.493 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.953 HG13 HG23 ' F' ' 39' ' ' VAL . 3.1 p -115.06 142.73 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.883 0.373 . . . . 43.119999999999997 111.122 -179.953 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.651 ' CG2' HG12 ' H' ' 40' ' ' VAL . 17.4 m . . . . . 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 63.43 111.172 179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 18.2 m-20 . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.789 0.328 . . . . 71.209999999999994 110.874 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -111.92 77.07 1.01 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 63.200000000000003 111.126 179.925 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -52.37 -50.05 63.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 62.509999999999998 110.927 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 4' ' ' PHE . . . . . 0.554 ' CZ ' ' HB2' ' C' ' 30' ' ' ALA . 16.4 m-85 -141.21 114.27 8.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 71.430000000000007 110.888 -179.927 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 7.1 mmt180 -135.27 109.38 8.26 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.15 -0.477 . . . . 74.310000000000002 110.837 -179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 3.8 t60 -112.43 130.31 56.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 65.140000000000001 110.848 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -134.88 102.29 5.19 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.191 -0.459 . . . . 64.209999999999994 110.857 -179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 10.7 t -156.12 126.62 6.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.238 -0.437 . . . . 51.009999999999998 110.861 -179.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -53.63 -28.24 37.11 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.685 -0.769 . . . . 73.420000000000002 112.557 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 7.3 m-85 -149.27 111.47 4.66 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.371 . . . . 74.310000000000002 110.932 -179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -105.71 124.88 50.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.094 -0.503 . . . . 70.430000000000007 110.904 -179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 24.0 t -134.1 113.66 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 63.130000000000003 111.149 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -120.3 131.35 54.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 70.349999999999994 110.807 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 5.1 m-70 -135.33 122.52 21.56 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.172 -0.467 . . . . 74.25 110.871 -179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -130.18 132.63 46.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 64.510000000000005 110.893 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 6.9 tttp -125.66 116.44 21.69 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.459 . . . . 71.219999999999999 110.882 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.512 HD12 ' HE1' ' H' ' 19' ' ' PHE . 3.6 mm? -119.4 109.82 16.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.221 -0.445 . . . . 74.219999999999999 110.934 179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.71 ' CG2' HG12 ' G' ' 18' ' ' VAL . 35.5 m -117.6 122.5 69.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 74.319999999999993 111.114 179.832 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.512 ' HE1' HD12 ' H' ' 17' ' ' LEU . 3.0 m-30 -103.32 109.64 21.33 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.119 -0.491 . . . . 75.549999999999997 110.895 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . 0.672 ' CZ ' HG22 ' G' ' 31' ' ' ILE . 4.3 m-30 59.3 88.15 0.07 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.133 -0.485 . . . . 72.510000000000005 110.898 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.54 130.17 55.62 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.144 -0.48 . . . . 74.349999999999994 111.119 179.901 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.84 102.67 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 64.349999999999994 110.921 -179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.687 HG23 HG13 ' G' ' 24' ' ' VAL . 14.9 p -147.48 133.33 12.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 63.219999999999999 111.167 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.65 -47.26 92.06 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.757 -0.735 . . . . 54.25 112.482 179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 18.3 m -160.18 139.46 10.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.861 0.362 . . . . 62.439999999999998 110.856 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . 0.469 ' OD1' HG21 ' H' ' 24' ' ' VAL . 53.3 m-20 -110.39 103.24 11.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 72.409999999999997 110.902 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -114.6 175.22 5.58 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 73.040000000000006 110.891 179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' C' ' 3' ' ' GLU . . . 50.6 -139.61 21.95 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.741 -0.742 . . . . 73.239999999999995 112.522 179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . 0.642 ' HB2' ' CZ ' ' C' ' 4' ' ' PHE . . . -86.78 114.2 23.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 72.129999999999995 111.076 179.985 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.679 HG22 ' CZ ' ' I' ' 20' ' ' PHE . 1.9 mp -121.17 108.14 21.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.191 -0.459 . . . . 74.129999999999995 111.152 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -132.56 118.08 33.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 71.010000000000005 111.108 179.864 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . 0.411 ' HA3' ' HB3' ' H' ' 19' ' ' PHE . . . -47.49 -51.13 16.98 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.719 -0.753 . . . . 65.519999999999996 112.483 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.825 ' N ' HD13 ' H' ' 34' ' ' LEU . 0.0 OUTLIER -153.67 150.97 29.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.859 0.361 . . . . 71.430000000000007 110.893 -179.928 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 15.7 mmm -125.15 119.15 27.74 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.465 . . . . 70.200000000000003 110.892 179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.747 HG21 HG21 ' C' ' 36' ' ' VAL . 87.7 t -110.09 115.6 50.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 74.430000000000007 111.164 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.92 -51.51 0.75 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.742 -0.742 . . . . 34.119999999999997 112.466 -179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.16 152.75 6.4 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.747 -0.74 . . . . 55.240000000000002 112.464 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.936 HG13 HG23 ' G' ' 39' ' ' VAL . 3.0 p -115.02 142.59 27.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.904 0.383 . . . . 71.340000000000003 111.128 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . 0.66 ' CG2' HG12 ' I' ' 40' ' ' VAL . 17.2 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.148 -0.478 . . . . 71.230000000000004 111.155 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.821 0.344 . . . . 71.129999999999995 110.862 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.5 77.8 1.08 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.453 . . . . 64.219999999999999 111.097 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -51.89 -49.88 62.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.191 -0.459 . . . . 60.329999999999998 110.937 -179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 4' ' ' PHE . . . . . 0.547 ' CZ ' ' HB2' ' D' ' 30' ' ' ALA . 16.9 m-85 -141.72 114.24 8.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.465 . . . . 75.239999999999995 110.877 -179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -134.25 109.55 8.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.119 -0.491 . . . . 42.509999999999998 110.895 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 3.5 t60 -112.34 129.61 56.24 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.179 -0.464 . . . . 74.430000000000007 110.909 179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -133.86 101.68 5.17 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.242 -0.436 . . . . 73.209999999999994 110.885 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 10.8 t -156.66 126.78 6.45 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.18 -0.464 . . . . 62.130000000000003 110.85 -179.767 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.53 -27.96 43.39 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.718 -0.753 . . . . 64.040000000000006 112.469 -179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 7.4 m-85 -149.1 112.55 5.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.868 0.366 . . . . 61.140000000000001 110.916 -179.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 8.3 tt0 -105.51 125.48 51.03 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 52.420000000000002 110.875 -179.991 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 24.5 t -133.61 113.98 19.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 75.0 111.15 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -119.72 132.18 55.58 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.162 -0.472 . . . . 74.25 110.837 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -135.68 122.5 21.15 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 60.43 110.891 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 1.5 mt-30 -130.55 132.2 45.45 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.444 . . . . 73.299999999999997 110.906 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . 0.409 ' O ' HD22 ' I' ' 17' ' ' LEU . 6.8 tttp -125.0 115.61 20.83 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 70.329999999999998 110.883 179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.437 ' CB ' HD13 ' J' ' 17' ' ' LEU . 3.8 mm? -121.29 110.14 15.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 70.129999999999995 110.911 179.913 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . 0.699 ' CG2' HG12 ' H' ' 18' ' ' VAL . 28.7 m -118.37 123.1 71.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 71.129999999999995 111.123 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . 0.427 ' N ' ' CD1' ' I' ' 19' ' ' PHE . 2.3 m-30 -102.75 109.06 20.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 75.450000000000003 110.848 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . 0.679 ' CZ ' HG22 ' H' ' 31' ' ' ILE . 4.3 m-30 59.08 88.37 0.07 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.121 -0.49 . . . . 61.450000000000003 110.877 -179.909 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -110.34 130.11 55.62 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 74.319999999999993 111.111 179.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.61 102.64 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 71.319999999999993 110.883 179.974 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.678 HG23 HG13 ' H' ' 24' ' ' VAL . 14.8 p -147.76 133.02 11.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 74.019999999999996 111.127 -179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.82 -46.68 94.04 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.739 -0.743 . . . . 74.010000000000005 112.457 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 17.4 m -160.51 139.79 10.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.828 0.347 . . . . 63.32 110.865 -179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . 0.469 ' OD1' HG21 ' I' ' 24' ' ' VAL . 52.4 m-20 -110.55 102.46 11.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.182 -0.463 . . . . 75.120000000000005 110.924 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -114.54 175.94 5.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 73.120000000000005 110.883 179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' D' ' 3' ' ' GLU . . . 50.89 -138.32 26.0 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.77 -0.728 . . . . 64.120000000000005 112.515 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.631 ' HB2' ' CZ ' ' D' ' 4' ' ' PHE . . . -87.38 114.57 24.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.759 0.314 . . . . 64.209999999999994 111.099 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.692 HG22 ' CZ ' ' J' ' 20' ' ' PHE . 1.9 mp -121.89 108.14 21.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 74.209999999999994 111.134 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 2.4 mt -132.76 119.95 39.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 71.129999999999995 111.129 179.849 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . 0.468 ' C ' HD13 ' I' ' 34' ' ' LEU . . . -49.25 -53.2 20.49 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.752 -0.737 . . . . 60.32 112.467 179.932 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.82 ' N ' HD13 ' I' ' 34' ' ' LEU . 0.0 OUTLIER -151.13 148.87 28.81 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.77 0.319 . . . . 70.439999999999998 110.936 -179.911 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 16.3 mmm -124.0 118.33 26.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 55.140000000000001 110.877 179.819 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.855 HG21 HG21 ' D' ' 36' ' ' VAL . 84.4 t -111.02 115.96 51.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.253 -0.43 . . . . 74.040000000000006 111.123 179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 118.42 -52.11 0.72 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.727 -0.749 . . . . 61.149999999999999 112.463 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . 136.25 152.6 6.35 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 71.540000000000006 112.449 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 0.925 HG13 HG23 ' H' ' 39' ' ' VAL . 3.2 p -114.83 143.35 24.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.839 0.352 . . . . 75.340000000000003 111.115 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . 0.66 HG12 ' CG2' ' H' ' 40' ' ' VAL . 18.1 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 63.039999999999999 111.145 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.82 0.343 . . . . 73.340000000000003 110.849 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -112.37 77.14 1.02 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.18 -0.464 . . . . 71.209999999999994 111.123 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -51.41 -49.57 61.35 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 71.129999999999995 110.879 -179.865 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 4' ' ' PHE . . . . . 0.524 ' CZ ' ' HB2' ' E' ' 30' ' ' ALA . 16.8 m-85 -142.25 115.08 8.65 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.152 -0.476 . . . . 71.239999999999995 110.913 -179.974 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -133.37 108.6 8.79 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.131 -0.486 . . . . 74.129999999999995 110.843 -179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -112.2 128.07 56.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 62.140000000000001 110.884 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -131.22 100.96 5.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 73.140000000000001 110.864 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 10.9 t -157.09 127.87 6.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 74.25 110.84 -179.732 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.99 -26.45 58.23 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.692 -0.766 . . . . 74.530000000000001 112.551 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 7.5 m-85 -149.08 111.89 4.83 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.838 0.351 . . . . 73.129999999999995 110.947 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tt0 -104.43 126.77 51.82 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.113 -0.494 . . . . 71.530000000000001 110.87 -179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 24.7 t -133.37 114.04 20.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 75.349999999999994 111.127 179.986 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 61.9 m170 -119.66 131.1 55.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 74.129999999999995 110.865 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -134.98 122.96 22.6 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.224 -0.444 . . . . 74.340000000000003 110.837 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.4 mt-30 -132.93 132.87 42.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 70.129999999999995 110.897 -179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . 0.428 ' O ' HD22 ' J' ' 17' ' ' LEU . 6.7 tttp -125.27 115.28 20.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 70.099999999999994 110.896 179.914 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.437 HD13 ' CB ' ' I' ' 17' ' ' LEU . 3.9 mm? -121.95 107.02 11.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.206 -0.452 . . . . 70.430000000000007 110.925 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.695 ' CG2' HG12 ' I' ' 18' ' ' VAL . 27.9 m -114.9 125.84 72.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 53.240000000000002 111.123 179.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.412 ' N ' ' CD1' ' J' ' 19' ' ' PHE . 1.9 m-85 -102.51 108.95 20.43 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.154 -0.476 . . . . 74.540000000000006 110.91 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . 0.692 ' CZ ' HG22 ' I' ' 31' ' ' ILE . 4.5 m-30 59.35 89.71 0.06 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.148 -0.478 . . . . 74.439999999999998 110.884 -179.899 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -109.63 130.56 55.5 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.088 -0.505 . . . . 73.150000000000006 111.061 179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 63.51 103.61 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.256 -0.429 . . . . 63.009999999999998 110.869 179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.648 HG23 ' CG1' ' I' ' 24' ' ' VAL . 13.7 p -149.6 132.49 6.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.22 -0.445 . . . . 75.120000000000005 111.102 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.39 -46.56 93.6 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.783 -0.722 . . . . 74.25 112.467 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 17.2 m -160.4 139.72 10.8 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.867 0.365 . . . . 73.219999999999999 110.887 -179.697 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . 0.491 ' OD1' HG21 ' J' ' 24' ' ' VAL . 57.4 m-20 -109.26 101.69 10.68 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 73.030000000000001 110.871 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 3.8 tptm -114.77 176.74 4.92 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 70.010000000000005 110.909 179.892 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . 0.414 ' HA2' ' HA ' ' E' ' 3' ' ' GLU . . . 51.38 -138.43 28.03 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.733 -0.746 . . . . 64.200000000000003 112.466 179.923 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 0.612 ' HB2' ' CZ ' ' E' ' 4' ' ' PHE . . . -87.16 114.43 23.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.764 0.316 . . . . 72.400000000000006 111.085 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.475 HG23 ' HE2' ' J' ' 20' ' ' PHE . 2.1 mp -120.79 108.52 23.0 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 73.010000000000005 111.115 -180.0 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . 0.41 HG21 ' HG2' ' J' ' 35' ' ' MET . 2.5 mt -130.89 117.06 36.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.199 -0.455 . . . . 62.210000000000001 111.116 179.847 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . 0.593 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -49.7 -49.75 33.24 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.743 . . . . 74.140000000000001 112.467 179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.753 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -152.24 150.91 30.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.807 0.336 . . . . 72.540000000000006 110.898 -179.898 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . 0.41 ' HG2' HG21 ' J' ' 32' ' ' ILE . 22.7 mmm -128.91 118.44 22.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 44.200000000000003 110.854 179.845 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.913 HG21 HG21 ' E' ' 36' ' ' VAL . 90.8 t -116.98 115.75 49.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.259 -0.428 . . . . 63.240000000000002 111.098 179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 119.4 -49.39 0.87 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 51.539999999999999 112.484 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . 134.57 151.23 6.31 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.781 -0.723 . . . . 71.219999999999999 112.506 -179.938 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.85 HG13 HG23 ' I' ' 39' ' ' VAL . 4.0 p -115.61 142.72 27.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.93 0.395 . . . . 74.420000000000002 111.108 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.643 HG12 ' CG2' ' I' ' 40' ' ' VAL . 19.1 m . . . . . 0 C--N 1.33 -0.248 0 CA-C-N 116.144 -0.48 . . . . 72.219999999999999 111.139 179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 . . . . . 0 C--O 1.23 0.066 0 CA-C-O 120.825 0.345 . . . . 75.140000000000001 110.845 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.71 75.54 0.95 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 71.219999999999999 111.112 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.64 -31.31 24.83 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 70.420000000000002 110.905 -179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.742 ' CD2' ' HB2' ' F' ' 30' ' ' ALA . 1.4 t80 -164.3 115.42 1.28 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.496 . . . . 64.420000000000002 110.911 -179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -127.37 109.3 11.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 74.150000000000006 110.877 -179.898 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -108.98 108.44 19.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 75.340000000000003 110.898 179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -115.34 102.01 9.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 71.319999999999993 110.843 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 17.0 p -149.96 175.43 11.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 74.439999999999998 110.898 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.73 -28.22 55.3 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.775 -0.726 . . . . 72.329999999999998 112.518 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.453 ' HD1' HG23 ' A' ' 12' ' ' VAL . 29.3 p90 -173.94 149.06 1.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.851 0.357 . . . . 75.329999999999998 110.9 -179.79 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 36.1 tt0 -108.1 119.36 39.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.096 -0.502 . . . . 72.409999999999997 110.912 179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.453 HG23 ' HD1' ' A' ' 10' ' ' TYR . 97.9 t -134.58 113.99 17.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 62.350000000000001 111.115 179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.7 m170 -128.95 122.09 29.44 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.17 -0.468 . . . . 72.310000000000002 110.819 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 12.7 m-70 -129.1 125.78 37.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.458 . . . . 63.240000000000002 110.859 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.437 ' HG3' HG12 ' F' ' 39' ' ' VAL . 0.0 OUTLIER -126.49 136.2 52.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.196 -0.456 . . . . 74.329999999999998 110.934 -179.968 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.405 ' HD3' HG13 ' A' ' 18' ' ' VAL . 4.5 tttp -128.04 128.38 44.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 63.200000000000003 110.859 179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . . . . . . . . . 8.2 mt -126.23 108.2 11.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 62.329999999999998 110.929 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.732 HG12 ' CG2' ' B' ' 18' ' ' VAL . 28.3 m -115.23 119.22 61.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 71.310000000000002 111.153 179.836 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.442 ' HD2' HD12 ' B' ' 34' ' ' LEU . 5.4 m-85 -111.81 143.15 43.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.214 -0.448 . . . . 71.140000000000001 110.893 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.562 ' HE1' HG22 ' A' ' 31' ' ' ILE . 15.8 m-85 60.68 30.49 19.75 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 60.520000000000003 110.89 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.81 135.69 33.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.139 -0.482 . . . . 73.549999999999997 111.066 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 61.41 72.93 0.49 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.164 -0.471 . . . . 75.219999999999999 110.889 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.4 p -140.45 144.96 26.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 72.120000000000005 111.154 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.78 -58.96 5.9 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.722 -0.752 . . . . 74.099999999999994 112.464 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 36.4 m -159.66 141.79 13.37 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.839 0.352 . . . . 72.049999999999997 110.879 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 95.0 m-20 -108.26 107.33 17.88 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.122 -0.49 . . . . 70.319999999999993 110.877 -179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 3.6 tptm -114.77 163.34 15.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.185 -0.461 . . . . 64.549999999999997 110.894 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.69 -138.87 40.59 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.721 -0.752 . . . . 50.240000000000002 112.528 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.739 ' HB2' ' CD2' ' F' ' 4' ' ' PHE . . . -89.77 114.11 25.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.751 0.31 . . . . 54.219999999999999 111.098 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.562 HG22 ' HE1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -129.76 130.28 66.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 70.040000000000006 111.142 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 16.3 mt -134.75 122.85 39.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 73.420000000000002 111.125 179.887 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.98 -59.07 7.82 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.765 -0.731 . . . . 43.43 112.484 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.809 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -160.33 152.93 20.97 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.347 . . . . 51.130000000000003 110.867 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.411 ' CE ' HG13 ' A' ' 40' ' ' VAL . 2.7 mtp -134.09 127.92 33.13 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 65.120000000000005 110.888 179.802 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.725 HG11 HG11 ' F' ' 36' ' ' VAL . 38.2 t -121.6 114.7 44.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.198 -0.455 . . . . 71.200000000000003 111.106 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.28 36.23 74.86 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.789 -0.72 . . . . 74.129999999999995 112.473 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.4 -167.25 13.93 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.732 -0.747 . . . . 52.140000000000001 112.451 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.921 HG13 HG23 ' B' ' 39' ' ' VAL . 14.0 p -161.69 149.09 4.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-O 120.866 0.365 . . . . 73.400000000000006 111.086 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.507 HG12 HG22 ' B' ' 40' ' ' VAL . 33.3 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 74.120000000000005 111.103 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 51.4 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.781 0.324 . . . . 70.049999999999997 110.851 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . 0.445 ' HA ' ' HB3' ' C' ' 2' ' ' ALA . . . -115.95 77.32 1.08 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 71.200000000000003 111.111 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -49.8 -30.53 9.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.206 -0.452 . . . . 74.409999999999997 110.932 -179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.667 ' CD2' ' HB2' ' G' ' 30' ' ' ALA . 1.4 t80 -163.16 115.67 1.54 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 72.5 110.905 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 11.5 mmt85 -126.07 110.86 14.02 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 74.049999999999997 110.844 -179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -107.94 109.86 21.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.453 . . . . 71.099999999999994 110.891 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -116.3 101.11 8.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 73.010000000000005 110.876 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 16.7 p -151.6 175.09 12.69 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 64.230000000000004 110.859 -179.784 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.42 -28.91 54.61 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.77 -0.729 . . . . 62.25 112.508 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.59 ' HD1' HG23 ' B' ' 12' ' ' VAL . 27.8 p90 -174.25 147.56 1.21 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.825 0.345 . . . . 74.439999999999998 110.94 -179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 34.4 tt0 -104.47 119.98 40.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 63.030000000000001 110.893 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.59 HG23 ' HD1' ' B' ' 10' ' ' TYR . 88.4 t -133.85 113.39 18.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.13 -0.486 . . . . 64.299999999999997 111.175 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 25.4 m170 -129.48 123.83 32.49 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 75.219999999999999 110.825 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -129.07 129.71 45.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 74.030000000000001 110.882 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.01 135.45 49.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 65.400000000000006 110.908 -179.895 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -125.15 129.65 50.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 75.510000000000005 110.937 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.453 HD13 HD21 ' C' ' 17' ' ' LEU . 8.0 mt -132.4 107.34 8.45 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 64.120000000000005 110.9 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.732 ' CG2' HG12 ' A' ' 18' ' ' VAL . 29.3 m -116.83 119.81 63.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 54.240000000000002 111.149 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.415 ' HD2' HD12 ' C' ' 34' ' ' LEU . 2.0 m-85 -112.47 141.58 46.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.215 -0.448 . . . . 74.319999999999993 110.876 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.571 ' HE1' HG22 ' B' ' 31' ' ' ILE . 17.8 m-85 60.64 28.14 17.85 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 74.310000000000002 110.884 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.06 135.87 33.39 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 42.420000000000002 111.094 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 60.98 72.98 0.5 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.24 -0.436 . . . . 71.219999999999999 110.82 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 p -140.57 144.61 27.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 73.200000000000003 111.108 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.17 -57.77 6.63 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.725 -0.75 . . . . 71.340000000000003 112.505 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 36.4 m -160.39 141.23 11.93 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.85 0.357 . . . . 71.099999999999994 110.855 -179.719 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 92.2 m-20 -108.95 107.53 17.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.137 -0.483 . . . . 72.219999999999999 110.89 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -114.37 163.49 15.24 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.205 -0.452 . . . . 42.119999999999997 110.868 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.24 -139.84 43.43 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.742 -0.742 . . . . 43.030000000000001 112.488 179.914 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.622 ' HB2' ' CD2' ' G' ' 4' ' ' PHE . . . -90.07 114.41 26.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.745 0.307 . . . . 62.130000000000003 111.131 179.94 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.571 HG22 ' HE1' ' B' ' 20' ' ' PHE . 0.3 OUTLIER -128.62 128.41 67.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.246 -0.434 . . . . 72.140000000000001 111.146 179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 12.5 mt -131.67 122.78 50.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.179 -0.464 . . . . 71.150000000000006 111.114 179.878 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.17 -58.31 9.91 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.732 -0.747 . . . . 74.319999999999993 112.451 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.831 ' O ' HD22 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -156.92 153.92 28.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.856 0.36 . . . . 75.200000000000003 110.883 -179.895 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.5 mtp -132.97 123.12 25.3 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 74.209999999999994 110.847 179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.881 HG11 HG11 ' G' ' 36' ' ' VAL . 26.2 t -121.57 112.22 34.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.204 -0.453 . . . . 63.149999999999999 111.142 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 54.08 37.51 58.82 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.723 -0.751 . . . . 61.210000000000001 112.482 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.63 -167.52 14.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.725 -0.75 . . . . 72.209999999999994 112.513 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.922 HG13 HG23 ' C' ' 39' ' ' VAL . 12.4 p -160.55 148.42 5.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.811 0.338 . . . . 74.5 111.158 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.507 HG22 HG12 ' A' ' 40' ' ' VAL . 34.7 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 72.329999999999998 111.142 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 . . . . . 0 C--O 1.23 0.047 0 CA-C-O 120.845 0.355 . . . . 70.239999999999995 110.838 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . 0.445 ' HB3' ' HA ' ' B' ' 2' ' ' ALA . . . -116.37 75.69 0.98 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 62.439999999999998 111.089 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.28 -30.52 18.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.27 -0.423 . . . . 64.329999999999998 110.898 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . 0.61 ' CD2' ' HB2' ' H' ' 30' ' ' ALA . 1.4 t80 -163.64 116.24 1.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.137 -0.483 . . . . 75.140000000000001 110.9 -179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -125.96 111.7 15.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 72.430000000000007 110.866 -179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 86.3 t60 -108.2 109.27 20.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 74.200000000000003 110.862 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -115.46 100.7 8.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.211 -0.45 . . . . 75.140000000000001 110.851 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 16.6 p -152.71 174.79 13.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 74.25 110.88 -179.817 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.37 -28.15 53.4 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.699 -0.762 . . . . 72.150000000000006 112.532 -179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . 0.592 ' HD1' HG23 ' C' ' 12' ' ' VAL . 25.7 p90 -174.71 147.77 1.07 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.871 0.367 . . . . 75.25 110.855 -179.831 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 32.3 tt0 -103.35 120.84 41.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.097 -0.501 . . . . 75.310000000000002 110.879 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.592 HG23 ' HD1' ' C' ' 10' ' ' TYR . 92.4 t -133.35 113.63 19.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 72.439999999999998 111.102 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 26.1 m170 -130.43 124.04 31.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.153 -0.476 . . . . 61.350000000000001 110.874 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -128.61 131.81 48.13 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 72.319999999999993 110.834 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.98 136.76 50.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 75.540000000000006 110.887 -179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 4.5 tttp -124.16 128.73 49.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.16 -0.473 . . . . 72.329999999999998 110.918 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.586 HD13 HD21 ' D' ' 17' ' ' LEU . 8.2 mt -135.69 106.26 6.5 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 71.099999999999994 110.943 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.705 ' CG2' HG12 ' B' ' 18' ' ' VAL . 26.2 m -117.69 120.77 65.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 72.140000000000001 111.159 179.848 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.402 ' CD1' ' N ' ' C' ' 19' ' ' PHE . 1.3 m-85 -112.74 141.1 46.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 74.319999999999993 110.865 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.534 ' HE1' HG22 ' C' ' 31' ' ' ILE . 17.6 m-85 59.44 27.91 17.16 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.134 -0.484 . . . . 73.200000000000003 110.855 -179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.94 138.19 31.71 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.474 . . . . 64.030000000000001 111.16 179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 57.47 72.84 0.49 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.219 -0.446 . . . . 60.43 110.869 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 p -139.42 143.86 30.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 74.239999999999995 111.136 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.0 -57.98 6.57 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.766 -0.731 . . . . 75.439999999999998 112.499 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 35.6 m -160.47 140.03 10.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.888 0.375 . . . . 74.450000000000003 110.855 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -108.2 108.16 19.08 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.149 -0.478 . . . . 73.5 110.882 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -114.5 163.93 14.69 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 64.150000000000006 110.945 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.62 -140.98 42.79 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.733 -0.746 . . . . 52.350000000000001 112.497 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.522 ' HB2' ' CD2' ' H' ' 4' ' ' PHE . . . -90.27 114.18 26.17 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.757 0.313 . . . . 71.409999999999997 111.126 179.953 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.534 HG22 ' HE1' ' C' ' 20' ' ' PHE . 0.3 OUTLIER -128.13 128.73 69.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.227 -0.442 . . . . 75.530000000000001 111.144 179.985 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 11.9 mt -130.53 122.09 52.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 74.030000000000001 111.134 179.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.75 -58.88 8.6 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.735 -0.745 . . . . 70.230000000000004 112.468 179.924 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.85 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -155.78 151.13 26.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.801 0.334 . . . . 74.129999999999995 110.917 -179.904 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -130.02 122.53 28.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 73.200000000000003 110.858 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.95 HG11 HG11 ' H' ' 36' ' ' VAL . 33.6 t -122.66 111.42 30.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.217 -0.447 . . . . 74.209999999999994 111.114 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.91 38.37 46.18 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.753 -0.737 . . . . 52.310000000000002 112.479 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.59 -167.01 14.55 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 61.310000000000002 112.5 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.922 HG23 HG13 ' B' ' 39' ' ' VAL . 11.9 p -159.37 147.72 7.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.804 0.335 . . . . 74.310000000000002 111.186 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.491 HG22 HG12 ' B' ' 40' ' ' VAL . 35.1 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 71.129999999999995 111.112 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.787 0.327 . . . . 72.430000000000007 110.897 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.31 76.26 1.01 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 32.340000000000003 111.119 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.94 -29.98 22.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 72.150000000000006 110.87 -179.927 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . 0.574 ' CD2' ' HB2' ' I' ' 30' ' ' ALA . 1.4 t80 -163.01 115.68 1.57 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 74.140000000000001 110.876 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -126.34 111.11 14.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 75.530000000000001 110.913 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -107.74 108.85 20.26 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 65.230000000000004 110.867 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -113.38 100.79 8.81 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 74.5 110.859 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 16.6 p -153.3 173.91 14.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 73.430000000000007 110.884 -179.78 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.68 -27.82 49.46 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 45.009999999999998 112.51 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . 0.588 ' HD1' HG23 ' D' ' 12' ' ' VAL . 26.4 p90 -173.69 148.32 1.48 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.839 0.352 . . . . 72.430000000000007 110.961 -179.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 28.8 tt0 -103.98 121.79 43.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.174 -0.467 . . . . 74.549999999999997 110.917 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.588 HG23 ' HD1' ' D' ' 10' ' ' TYR . 94.7 t -133.22 113.8 20.07 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.454 . . . . 73.409999999999997 111.158 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 26.5 m170 -130.97 122.65 27.25 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 75.5 110.85 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -127.32 131.96 50.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 72.120000000000005 110.847 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.46 138.27 52.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 73.310000000000002 110.938 -179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -123.63 127.65 48.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 75.549999999999997 110.882 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.658 HD13 HD21 ' E' ' 17' ' ' LEU . 7.2 mt -139.23 106.85 5.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 74.040000000000006 110.901 179.942 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.675 ' CG2' HG12 ' C' ' 18' ' ' VAL . 19.5 m -117.94 121.59 67.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.241 -0.436 . . . . 75.439999999999998 111.158 179.824 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' D' ' 19' ' ' PHE . 1.1 m-85 -111.93 139.27 47.56 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.485 . . . . 63.310000000000002 110.879 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.43 ' HE1' HG22 ' D' ' 31' ' ' ILE . 15.2 m-85 58.54 27.46 15.68 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 72.310000000000002 110.899 -179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.71 139.92 30.27 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.108 -0.497 . . . . 64.109999999999999 111.104 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 55.7 73.64 0.42 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.246 -0.434 . . . . 61.130000000000003 110.818 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 p -140.18 143.36 29.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 42.020000000000003 111.115 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.94 -57.85 6.72 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.698 -0.763 . . . . 43.549999999999997 112.486 -179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 36.2 m -160.28 139.63 10.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.851 0.357 . . . . 73.400000000000006 110.877 -179.775 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 93.8 m-20 -107.75 107.7 18.59 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 74.049999999999997 110.868 -179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 3.5 tptm -114.85 164.48 14.06 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 74.239999999999995 110.886 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.93 -141.69 42.75 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 44.409999999999997 112.461 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.471 ' HB2' ' CD2' ' I' ' 4' ' ' PHE . . . -91.25 114.18 26.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.728 0.299 . . . . 61.509999999999998 111.114 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.453 HG23 ' HB ' ' C' ' 31' ' ' ILE . 0.4 OUTLIER -129.05 129.31 67.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.237 -0.438 . . . . 65.239999999999995 111.139 179.97 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 11.8 mt -129.36 122.65 56.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.171 -0.468 . . . . 62.119999999999997 111.121 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.82 -61.11 6.33 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.721 -0.752 . . . . 73.239999999999995 112.512 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.857 ' O ' HD22 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -153.58 148.93 27.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.825 0.345 . . . . 73.530000000000001 110.922 -179.987 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -129.39 122.25 29.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 63.219999999999999 110.92 179.835 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.97 HG11 HG11 ' I' ' 36' ' ' VAL . 32.6 t -125.1 110.81 25.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.253 -0.431 . . . . 74.209999999999994 111.104 179.978 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.65 37.98 51.75 Favored Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.704 -0.76 . . . . 73.530000000000001 112.454 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.47 -165.95 14.25 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 65.430000000000007 112.463 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.914 HG23 HG13 ' C' ' 39' ' ' VAL . 11.5 p -158.98 148.17 7.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.861 0.362 . . . . 73.25 111.161 -179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.454 HG22 HG12 ' C' ' 40' ' ' VAL . 35.1 m . . . . . 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.448 . . . . 63.109999999999999 111.139 179.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.808 0.337 . . . . 73.019999999999996 110.889 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.15 76.36 1.01 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 53.25 111.087 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.72 -30.27 21.74 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.197 -0.456 . . . . 72.140000000000001 110.9 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . 0.553 ' CD2' ' HB2' ' J' ' 30' ' ' ALA . 1.4 t80 -162.99 116.65 1.64 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 74.519999999999996 110.89 -179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -125.97 110.73 13.93 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.146 -0.479 . . . . 71.530000000000001 110.894 -179.883 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 85.1 t60 -107.09 108.98 20.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 52.399999999999999 110.889 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -111.06 100.62 9.27 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.221 -0.445 . . . . 63.219999999999999 110.872 179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 16.7 p -155.88 169.1 25.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 62.229999999999997 110.811 -179.804 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.51 -27.98 56.25 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.696 -0.764 . . . . 74.549999999999997 112.513 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . 0.576 ' HD1' HG23 ' E' ' 12' ' ' VAL . 29.3 p90 -172.37 146.79 1.85 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.864 0.364 . . . . 73.129999999999995 110.908 -179.838 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 31.5 tt0 -104.31 122.38 45.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.138 -0.483 . . . . 35.399999999999999 110.883 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . 0.576 HG23 ' HD1' ' E' ' 10' ' ' TYR . 94.2 t -130.87 113.94 25.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.474 . . . . 75.329999999999998 111.13 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -130.18 121.58 26.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 74.310000000000002 110.825 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 12.6 m-70 -127.67 130.76 49.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 73.25 110.897 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.79 140.47 52.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.252 -0.431 . . . . 73.239999999999995 110.949 -179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -123.62 124.4 42.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.235 -0.438 . . . . 73.420000000000002 110.86 179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.658 HD21 HD13 ' D' ' 17' ' ' LEU . 6.9 mt -141.19 105.22 4.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.212 -0.449 . . . . 65.409999999999997 110.905 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.635 ' CG2' HG12 ' D' ' 18' ' ' VAL . 15.6 m -113.92 125.31 71.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.44 . . . . 62.409999999999997 111.139 179.805 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.438 ' CD1' ' N ' ' E' ' 19' ' ' PHE . 1.0 OUTLIER -112.0 140.38 46.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 74.209999999999994 110.894 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 53.12 27.62 6.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 74.299999999999997 110.853 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.87 140.82 29.3 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 71.150000000000006 111.069 179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 55.23 75.42 0.31 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 71.430000000000007 110.875 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 p -141.28 142.7 28.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 42.119999999999997 111.114 -179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.18 -57.54 6.8 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.748 -0.739 . . . . 70.239999999999995 112.481 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 35.8 m -159.45 138.97 11.43 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.845 0.355 . . . . 62.140000000000001 110.839 -179.69 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -107.02 105.12 14.98 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 73.540000000000006 110.897 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.7 tptm -115.01 163.3 15.79 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.171 -0.468 . . . . 53.549999999999997 110.875 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.63 -142.11 45.9 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.691 -0.766 . . . . 72.420000000000002 112.51 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.43 ' HB2' ' CD2' ' J' ' 4' ' ' PHE . . . -91.57 114.39 26.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.775 0.321 . . . . 65.5 111.084 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -128.07 130.39 69.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.451 . . . . 74.209999999999994 111.115 179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 12.5 mt -128.6 120.45 52.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 73.099999999999994 111.147 179.856 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . 0.511 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -51.75 -58.41 10.37 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.751 -0.738 . . . . 53.310000000000002 112.464 179.96 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.798 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -153.64 151.58 29.86 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.8 0.333 . . . . 72.109999999999999 110.897 -179.92 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.2 mtp -132.22 120.47 22.24 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.453 . . . . 73.430000000000007 110.932 179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.793 HG11 HG11 ' J' ' 36' ' ' VAL . 28.5 t -128.64 109.94 20.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.269 -0.423 . . . . 74.530000000000001 111.111 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.15 38.14 39.21 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.724 -0.751 . . . . 64.219999999999999 112.503 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.97 -165.04 13.37 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.755 -0.736 . . . . 54.420000000000002 112.465 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.826 HG23 HG13 ' D' ' 39' ' ' VAL . 10.8 p -158.33 147.86 8.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.841 0.353 . . . . 73.120000000000005 111.128 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.424 HG22 ' HA ' ' D' ' 40' ' ' VAL . 35.3 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 71.120000000000005 111.155 179.899 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.843 0.354 . . . . 75.140000000000001 110.835 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.42 75.6 0.95 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.203 -0.453 . . . . 44.340000000000003 111.108 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -51.87 -30.89 25.69 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 75.400000000000006 110.898 -179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . 0.739 ' CD2' ' HB2' ' A' ' 30' ' ' ALA . 1.4 t80 -163.88 115.39 1.36 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.172 -0.467 . . . . 73.099999999999994 110.924 -179.911 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 -126.77 109.91 12.53 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 74.219999999999999 110.861 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 84.8 t60 -108.6 108.23 19.04 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.16 -0.473 . . . . 74.040000000000006 110.842 -179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -114.8 102.03 9.61 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.243 -0.435 . . . . 73.129999999999995 110.877 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 17.2 p -150.21 175.24 11.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.241 -0.436 . . . . 73.439999999999998 110.888 -179.779 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.96 -28.16 54.92 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.74 -0.743 . . . . 74.0 112.501 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . 0.453 ' HD1' HG23 ' F' ' 12' ' ' VAL . 29.6 p90 -174.0 148.74 1.41 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.806 0.336 . . . . 64.239999999999995 110.924 -179.812 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -107.67 119.2 38.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.084 -0.507 . . . . 61.340000000000003 110.833 -179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.453 HG23 ' HD1' ' F' ' 10' ' ' TYR . 98.1 t -134.56 113.95 17.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 62.450000000000003 111.145 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 24.4 m170 -128.87 121.85 29.09 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 63.409999999999997 110.871 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -129.03 125.92 38.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 73.209999999999994 110.847 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.15 135.82 51.23 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 72.310000000000002 110.84 -179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . 0.414 ' HD3' HG13 ' F' ' 18' ' ' VAL . 4.5 tttp -127.52 128.15 45.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 73.109999999999999 110.907 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.41 HD13 HD21 ' G' ' 17' ' ' LEU . 7.8 mt -125.8 108.12 11.18 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.238 -0.437 . . . . 53.43 110.94 179.886 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.725 HG12 ' CG2' ' G' ' 18' ' ' VAL . 29.0 m -115.18 119.43 61.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 55.340000000000003 111.139 179.828 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.42 ' HD2' HD12 ' G' ' 34' ' ' LEU . 5.4 m-85 -111.78 142.96 43.48 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.19 -0.459 . . . . 60.130000000000003 110.853 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . 0.567 ' HE1' HG22 ' F' ' 31' ' ' ILE . 16.0 m-85 60.86 30.05 19.4 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.087 -0.506 . . . . 72.049999999999997 110.919 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.66 136.29 33.16 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.485 . . . . 64.310000000000002 111.098 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 61.11 73.0 0.5 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 72.430000000000007 110.893 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 6.8 p -140.91 145.53 25.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 73.430000000000007 111.127 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.87 -58.98 5.83 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.755 -0.736 . . . . 50.109999999999999 112.498 179.963 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 35.5 m -159.95 141.47 12.73 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.938 0.399 . . . . 74.25 110.852 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 94.8 m-20 -107.46 107.14 17.87 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.102 -0.499 . . . . 61.399999999999999 110.87 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -114.58 163.38 15.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.132 -0.486 . . . . 71.439999999999998 110.906 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.71 -140.27 38.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.747 -0.739 . . . . 71.219999999999999 112.494 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.742 ' HB2' ' CD2' ' A' ' 4' ' ' PHE . . . -88.83 114.17 25.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.768 0.318 . . . . 62.420000000000002 111.102 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.567 HG22 ' HE1' ' F' ' 20' ' ' PHE . 0.4 OUTLIER -129.58 131.57 66.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 74.129999999999995 111.132 179.992 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 17.5 mt -135.39 122.73 36.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 74.349999999999994 111.13 179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.75 -59.36 7.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.752 -0.737 . . . . 55.240000000000002 112.479 179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.808 HD22 ' O ' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -160.13 153.0 21.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.789 0.328 . . . . 73.310000000000002 110.959 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . 0.414 ' CE ' HG13 ' F' ' 40' ' ' VAL . 2.7 mtp -133.86 127.61 32.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 74.209999999999994 110.856 179.856 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.725 HG11 HG11 ' A' ' 36' ' ' VAL . 32.6 t -121.76 114.82 44.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.246 -0.433 . . . . 75.030000000000001 111.131 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.08 36.02 72.33 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 60.409999999999997 112.518 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.21 -167.29 14.01 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.793 -0.718 . . . . 14.23 112.486 -179.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.916 HG13 HG23 ' G' ' 39' ' ' VAL . 15.0 p -161.68 149.43 4.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.887 0.375 . . . . 74.340000000000003 111.106 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.518 HG12 HG22 ' G' ' 40' ' ' VAL . 35.8 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 65.049999999999997 111.126 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 50.6 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.811 0.338 . . . . 72.109999999999999 110.857 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' G' G ' 2' ' ' ALA . . . . . 0.429 ' HA ' ' HB3' ' H' ' 2' ' ' ALA . . . -115.58 76.24 0.99 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.231 -0.44 . . . . 72.239999999999995 111.054 -179.985 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -50.61 -30.76 14.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.213 -0.449 . . . . 74.230000000000004 110.904 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 4' ' ' PHE . . . . . 0.622 ' CD2' ' HB2' ' B' ' 30' ' ' ALA . 1.4 t80 -162.95 115.69 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 75.340000000000003 110.884 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 11.6 mmt85 -125.52 111.35 14.95 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.147 -0.479 . . . . 72.310000000000002 110.857 -179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 84.9 t60 -108.13 109.33 20.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.232 -0.44 . . . . 73.25 110.834 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -115.58 100.99 8.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 52.210000000000001 110.93 179.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 17.0 p -151.61 174.94 12.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.228 -0.442 . . . . 61.520000000000003 110.901 -179.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -78.44 -29.02 54.31 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.773 -0.727 . . . . 70.129999999999995 112.47 -179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . 0.582 ' HD1' HG23 ' G' ' 12' ' ' VAL . 27.8 p90 -174.31 147.52 1.19 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.832 0.349 . . . . 61.350000000000001 110.964 -179.817 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -103.98 119.8 39.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.165 -0.47 . . . . 63.119999999999997 110.913 -179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . 0.582 HG23 ' HD1' ' G' ' 10' ' ' TYR . 88.1 t -133.76 113.41 18.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 63.450000000000003 111.138 179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 25.3 m170 -129.57 123.79 32.24 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 75.340000000000003 110.872 179.912 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -128.85 129.75 45.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.227 -0.442 . . . . 64.140000000000001 110.856 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.06 135.1 49.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.243 -0.435 . . . . 61.130000000000003 110.908 -179.899 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -125.05 129.03 49.45 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.198 -0.455 . . . . 72.310000000000002 110.899 179.933 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.457 HD13 HD21 ' H' ' 17' ' ' LEU . 7.9 mt -132.03 107.28 8.56 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.234 -0.439 . . . . 73.299999999999997 110.874 179.959 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.725 ' CG2' HG12 ' F' ' 18' ' ' VAL . 29.7 m -116.81 119.83 63.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.194 -0.457 . . . . 74.099999999999994 111.17 179.774 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . . . . . . . . . 2.0 m-85 -112.35 141.59 45.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 74.439999999999998 110.851 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 0.565 ' HE1' HG22 ' G' ' 31' ' ' ILE . 17.9 m-85 60.53 28.42 18.09 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 74.200000000000003 110.901 -179.924 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.18 135.86 33.4 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 70.450000000000003 111.164 179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 60.91 73.17 0.49 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.272 -0.422 . . . . 73.040000000000006 110.882 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 p -140.61 144.63 26.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 34.409999999999997 111.121 -179.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.41 -58.45 5.98 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.734 -0.746 . . . . 44.32 112.516 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 35.2 m -159.31 140.38 12.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.918 0.389 . . . . 72.010000000000005 110.84 -179.727 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -108.11 107.11 17.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.131 -0.486 . . . . 71.340000000000003 110.922 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 4.7 tptm -114.08 164.13 14.25 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 63.140000000000001 110.914 179.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.72 -141.37 39.37 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.692 -0.766 . . . . 73.530000000000001 112.499 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.667 ' HB2' ' CD2' ' B' ' 4' ' ' PHE . . . -89.16 114.09 25.35 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.726 0.298 . . . . 71.049999999999997 111.112 179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.565 HG22 ' HE1' ' G' ' 20' ' ' PHE . 0.3 OUTLIER -127.81 129.43 69.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.222 -0.445 . . . . 74.099999999999994 111.138 179.978 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 12.9 mt -132.41 122.44 47.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 70.239999999999995 111.115 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.85 -58.71 8.93 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.761 -0.733 . . . . 54.310000000000002 112.452 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.843 ' O ' HD22 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -156.53 153.96 29.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.79 0.328 . . . . 73.510000000000005 110.88 -179.88 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 2.5 mtp -132.94 123.01 25.15 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 73.200000000000003 110.927 179.773 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.881 HG11 HG11 ' B' ' 36' ' ' VAL . 26.1 t -121.61 112.19 34.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 70.340000000000003 111.119 -179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 54.01 37.23 57.85 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.754 -0.736 . . . . 62.350000000000001 112.53 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.99 -167.28 14.44 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 64.120000000000005 112.481 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.916 HG23 HG13 ' F' ' 39' ' ' VAL . 12.9 p -160.69 148.58 5.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-O 120.884 0.373 . . . . 54.420000000000002 111.155 179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.518 HG22 HG12 ' F' ' 40' ' ' VAL . 34.9 m . . . . . 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 62.450000000000003 111.166 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 51.1 m-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.88 0.371 . . . . 54.340000000000003 110.855 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' H' H ' 2' ' ' ALA . . . . . 0.429 ' HB3' ' HA ' ' G' ' 2' ' ' ALA . . . -115.5 75.71 0.96 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 71.230000000000004 111.084 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.33 -30.85 19.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 74.140000000000001 110.899 -179.952 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 4' ' ' PHE . . . . . 0.522 ' CD2' ' HB2' ' C' ' 30' ' ' ALA . 1.4 t80 -162.92 115.85 1.61 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.129 -0.487 . . . . 72.0 110.907 -179.929 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -125.64 111.4 14.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.147 -0.478 . . . . 72.129999999999995 110.83 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 86.5 t60 -107.91 108.78 20.09 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 75.319999999999993 110.853 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -114.69 100.51 8.31 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.232 -0.44 . . . . 75.409999999999997 110.901 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 16.9 p -152.63 174.55 13.84 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.202 -0.454 . . . . 62.140000000000001 110.827 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -79.44 -28.17 53.07 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.794 -0.717 . . . . 70.219999999999999 112.468 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . 0.578 ' HD1' HG23 ' H' ' 12' ' ' VAL . 25.7 p90 -174.69 147.74 1.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.86 0.362 . . . . 70.239999999999995 110.929 -179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 32.0 tt0 -103.18 120.77 41.33 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.168 -0.469 . . . . 72.319999999999993 110.907 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.578 HG23 ' HD1' ' H' ' 10' ' ' TYR . 92.4 t -133.24 113.57 19.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 53.43 111.118 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 26.4 m170 -130.32 123.82 30.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 71.430000000000007 110.883 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -128.31 131.52 48.65 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 74.530000000000001 110.838 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.74 136.49 50.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 75.209999999999994 110.897 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -124.17 128.52 49.37 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 73.450000000000003 110.932 179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.58 HD13 HD21 ' I' ' 17' ' ' LEU . 8.1 mt -135.73 106.32 6.5 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.267 -0.424 . . . . 74.010000000000005 110.923 179.905 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.701 ' CG2' HG12 ' G' ' 18' ' ' VAL . 25.9 m -117.74 120.98 66.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.175 -0.466 . . . . 75.140000000000001 111.083 179.839 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.425 ' N ' ' CD1' ' H' ' 19' ' ' PHE . 1.2 m-85 -112.8 141.11 46.99 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.101 -0.5 . . . . 60.200000000000003 110.88 -179.999 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . 0.509 ' HE1' HG22 ' H' ' 31' ' ' ILE . 17.5 m-85 59.37 27.81 17.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 72.430000000000007 110.846 -179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -89.87 137.99 31.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 71.140000000000001 111.14 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 57.64 73.78 0.45 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 74.209999999999994 110.897 -179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 p -140.21 144.4 27.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.206 -0.452 . . . . 64.319999999999993 111.195 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -70.61 -58.13 6.09 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.733 -0.746 . . . . 65.420000000000002 112.514 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 35.3 m -159.82 139.82 11.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.9 0.381 . . . . 63.229999999999997 110.87 -179.761 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 92.6 m-20 -107.95 107.42 18.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 64.420000000000002 110.907 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 tptm -114.02 164.51 13.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 51.340000000000003 110.877 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.08 -142.14 39.3 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.748 -0.739 . . . . 44.32 112.446 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . 0.61 ' HB2' ' CD2' ' C' ' 4' ' ' PHE . . . -89.93 114.22 25.99 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.795 0.331 . . . . 74.019999999999996 111.057 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.509 HG22 ' HE1' ' H' ' 20' ' ' PHE . 0.3 OUTLIER -127.92 129.43 69.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 72.430000000000007 111.14 179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 12.2 mt -130.79 122.16 51.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.46 . . . . 64.230000000000004 111.137 179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.63 -59.07 8.26 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.734 -0.746 . . . . 54.0 112.499 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.855 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -155.38 150.98 27.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.744 0.307 . . . . 72.530000000000001 110.936 -179.928 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -129.8 122.37 28.63 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 73.239999999999995 110.861 179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.95 HG11 HG11 ' C' ' 36' ' ' VAL . 28.3 t -122.85 111.38 29.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.252 -0.431 . . . . 70.340000000000003 111.137 179.956 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.02 37.83 46.0 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.722 -0.751 . . . . 73.120000000000005 112.505 179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.33 -167.09 14.69 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.756 -0.735 . . . . 64.450000000000003 112.499 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.904 HG13 HG23 ' I' ' 39' ' ' VAL . 12.4 p -159.52 147.72 6.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.89 0.376 . . . . 71.299999999999997 111.157 -179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . 0.476 HG22 HG12 ' G' ' 40' ' ' VAL . 35.2 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.182 -0.463 . . . . 72.25 111.154 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 51.2 m-20 . . . . . 0 N--CA 1.458 -0.063 0 CA-C-O 120.807 0.337 . . . . 73.329999999999998 110.871 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.11 75.57 0.94 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.461 . . . . 62.130000000000003 111.123 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.79 -30.29 22.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.249 -0.432 . . . . 64.409999999999997 110.867 -179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 4' ' ' PHE . . . . . 0.471 ' CD2' ' HB2' ' D' ' 30' ' ' ALA . 1.4 t80 -163.12 115.8 1.56 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 74.450000000000003 110.866 -179.957 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -126.73 111.35 14.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.182 -0.463 . . . . 73.129999999999995 110.918 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 86.0 t60 -108.0 108.56 19.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.238 -0.437 . . . . 74.010000000000005 110.849 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -112.51 100.93 9.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.214 -0.448 . . . . 60.039999999999999 110.886 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 16.7 p -153.52 173.69 15.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 64.340000000000003 110.852 -179.75 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.88 -27.7 49.22 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.72 -0.753 . . . . 65.219999999999999 112.493 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . 0.561 ' HD1' HG23 ' I' ' 12' ' ' VAL . 26.7 p90 -173.75 148.17 1.45 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.866 0.365 . . . . 75.209999999999994 110.932 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -103.94 121.93 44.15 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.135 -0.484 . . . . 74.319999999999993 110.885 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . 0.561 HG23 ' HD1' ' I' ' 10' ' ' TYR . 94.8 t -133.29 113.69 19.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 45.219999999999999 111.074 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 26.6 m170 -130.73 122.51 27.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 72.140000000000001 110.895 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -126.93 131.92 50.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 64.129999999999995 110.902 179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.35 138.06 52.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.224 -0.444 . . . . 55.340000000000003 110.892 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 4.4 tttp -123.73 127.47 48.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.2 -0.454 . . . . 65.010000000000005 110.85 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.661 HD13 HD21 ' J' ' 17' ' ' LEU . 7.3 mt -139.28 106.91 5.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 75.200000000000003 110.881 179.931 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . 0.686 ' CG2' HG12 ' H' ' 18' ' ' VAL . 20.0 m -118.05 121.65 67.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.157 -0.474 . . . . 70.530000000000001 111.151 179.833 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . 0.433 ' N ' ' CD1' ' I' ' 19' ' ' PHE . 1.1 m-85 -111.95 139.24 47.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 64.510000000000005 110.885 -179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . 0.414 ' HE1' HG22 ' I' ' 31' ' ' ILE . 15.4 m-85 58.54 27.95 16.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.127 -0.488 . . . . 75.510000000000005 110.931 -179.903 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -90.93 139.94 30.28 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.126 -0.488 . . . . 73.25 111.103 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 55.38 73.82 0.4 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.249 -0.432 . . . . 74.230000000000004 110.819 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 6.5 p -139.75 143.09 31.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 72.230000000000004 111.144 -179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.7 -58.47 6.35 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.775 -0.726 . . . . 44.310000000000002 112.504 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 36.4 m -159.5 138.6 11.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.889 0.376 . . . . 72.340000000000003 110.833 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 91.3 m-20 -107.1 106.78 17.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.127 -0.488 . . . . 63.020000000000003 110.872 -179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 tptm -114.32 165.25 12.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 75.540000000000006 110.852 179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.57 -142.86 39.87 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.749 -0.739 . . . . 64.329999999999998 112.473 179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.574 ' HB2' ' CD2' ' D' ' 4' ' ' PHE . . . -90.91 113.94 26.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.794 0.331 . . . . 70.019999999999996 111.102 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.444 HG23 ' HB ' ' H' ' 31' ' ' ILE . 0.4 OUTLIER -128.36 130.53 69.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.221 -0.445 . . . . 64.030000000000001 111.109 179.991 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 12.2 mt -129.94 122.48 54.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.161 -0.472 . . . . 72.549999999999997 111.112 179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.83 -61.29 6.2 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.751 -0.738 . . . . 64.239999999999995 112.507 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.854 ' O ' HD22 ' I' ' 34' ' ' LEU . 0.0 OUTLIER -153.37 148.55 26.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.34 . . . . 71.340000000000003 110.913 -179.937 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -129.13 122.3 29.56 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.215 -0.448 . . . . 75.219999999999999 110.885 179.832 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.97 HG11 HG11 ' D' ' 36' ' ' VAL . 31.4 t -125.28 110.67 25.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.19 -0.459 . . . . 45.450000000000003 111.111 179.969 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.71 37.88 52.11 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.742 -0.742 . . . . 64.200000000000003 112.49 179.985 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.39 -166.08 14.34 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.752 -0.737 . . . . 65.219999999999999 112.455 -179.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 0.904 HG23 HG13 ' H' ' 39' ' ' VAL . 11.9 p -159.2 148.22 7.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.836 0.351 . . . . 64.549999999999997 111.14 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . 0.423 ' HA ' HG22 ' J' ' 40' ' ' VAL . 35.2 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 73.040000000000006 111.122 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 51.0 m-20 . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.796 0.331 . . . . 62.25 110.901 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.52 76.11 0.99 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 62.229999999999997 111.054 179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -51.6 -30.52 21.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.215 -0.448 . . . . 54.119999999999997 110.863 -179.925 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 4' ' ' PHE . . . . . 0.43 ' CD2' ' HB2' ' E' ' 30' ' ' ALA . 1.4 t80 -162.86 115.97 1.63 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.131 -0.486 . . . . 73.400000000000006 110.857 -179.944 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 11.8 mmt85 -126.24 110.78 13.82 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 73.019999999999996 110.836 -179.918 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 85.6 t60 -106.87 108.87 20.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.184 -0.462 . . . . 73.040000000000006 110.835 179.993 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 1.6 t70 -110.6 100.64 9.4 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.224 -0.444 . . . . 73.099999999999994 110.873 179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 16.2 p -155.87 168.74 26.25 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 62.25 110.844 -179.759 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -77.87 -28.37 56.87 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.778 -0.725 . . . . 72.420000000000002 112.475 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . 0.576 ' HD1' HG23 ' J' ' 12' ' ' VAL . 28.4 p90 -172.47 146.81 1.81 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.869 0.366 . . . . 71.450000000000003 110.927 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 31.7 tt0 -103.72 122.38 44.95 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.099 -0.5 . . . . 72.299999999999997 110.874 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.576 HG23 ' HD1' ' J' ' 10' ' ' TYR . 93.1 t -131.14 113.75 24.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 72.400000000000006 111.149 179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 29.0 m170 -130.27 121.17 25.61 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 72.439999999999998 110.894 179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 12.5 m-70 -127.14 130.55 50.01 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 74.329999999999998 110.833 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.62 140.37 52.48 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.153 -0.476 . . . . 74.409999999999997 110.91 -179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 4.3 tttp -123.68 124.51 42.92 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 71.200000000000003 110.88 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.661 HD21 HD13 ' I' ' 17' ' ' LEU . 6.9 mt -141.15 105.17 4.78 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 72.420000000000002 110.922 179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.639 ' CG2' HG12 ' I' ' 18' ' ' VAL . 15.8 m -113.77 125.39 71.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.248 -0.433 . . . . 74.019999999999996 111.114 179.883 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.441 ' CD1' ' N ' ' J' ' 19' ' ' PHE . 1.0 OUTLIER -112.1 140.71 46.56 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.156 -0.475 . . . . 74.349999999999994 110.933 179.958 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 20.3 m-85 52.88 27.7 5.74 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.167 -0.47 . . . . 74.400000000000006 110.842 -179.951 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -91.89 140.65 29.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 73.340000000000003 111.109 179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 55.38 76.16 0.28 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.272 -0.422 . . . . 75.010000000000005 110.848 179.941 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 6.6 p -141.72 142.2 28.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.204 -0.453 . . . . 51.439999999999998 111.126 -180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -69.88 -57.38 7.15 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.721 -0.752 . . . . 63.210000000000001 112.481 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 36.4 m -159.34 137.59 10.51 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.866 0.365 . . . . 64.400000000000006 110.839 -179.72 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -106.7 104.48 14.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.076 -0.511 . . . . 72.219999999999999 110.873 -179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 5.0 tptm -114.81 164.18 14.45 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.157 -0.474 . . . . 73.299999999999997 110.887 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.8 -143.84 44.8 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.72 -0.752 . . . . 54.32 112.497 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 0.553 ' HB2' ' CD2' ' E' ' 4' ' ' PHE . . . -91.33 113.83 26.2 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.782 0.325 . . . . 62.439999999999998 111.108 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -127.87 131.73 69.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.198 -0.455 . . . . 72.420000000000002 111.139 179.947 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 13.3 mt -128.39 120.84 54.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 61.240000000000002 111.125 179.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . 0.513 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -51.72 -59.03 9.06 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 73.540000000000006 112.467 179.91 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.797 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -153.42 151.16 29.58 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.786 0.327 . . . . 61.310000000000002 110.955 -179.947 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . 0.403 ' H ' HD22 ' I' ' 34' ' ' LEU . 3.2 mtp -132.01 120.53 22.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.18 -0.464 . . . . 52.5 110.867 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.793 HG11 HG11 ' E' ' 36' ' ' VAL . 25.5 t -128.66 109.95 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.222 -0.445 . . . . 74.510000000000005 111.158 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.4 37.79 40.65 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.766 -0.73 . . . . 54.310000000000002 112.512 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.97 -165.17 13.41 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.71 -0.757 . . . . 50.149999999999999 112.443 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.856 HG23 HG13 ' I' ' 39' ' ' VAL . 10.7 p -158.13 147.82 9.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.926 0.393 . . . . 74.019999999999996 111.138 179.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.423 HG22 ' HA ' ' I' ' 40' ' ' VAL . 34.9 m . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.151 -0.477 . . . . 62.109999999999999 111.151 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.846 0.355 . . . . 62.450000000000003 110.88 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.66 91.46 0.08 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.454 . . . . 72.439999999999998 111.078 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 38.8 mm-40 -76.33 -25.81 55.13 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 62.310000000000002 110.905 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.526 ' CE1' ' HB2' ' F' ' 30' ' ' ALA . 0.4 OUTLIER -162.86 115.1 1.57 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.167 -0.469 . . . . 72.049999999999997 110.858 -179.974 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -110.2 107.83 17.76 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.106 -0.497 . . . . 70.420000000000002 110.896 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -106.61 109.01 20.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.164 -0.471 . . . . 45.329999999999998 110.874 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -122.2 101.14 7.35 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.186 -0.461 . . . . 70.439999999999998 110.872 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 9.0 t -148.73 175.27 11.36 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.214 -0.448 . . . . 51.409999999999997 110.864 -179.804 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.7 -12.13 33.35 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.775 -0.726 . . . . 73.140000000000001 112.497 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -171.64 119.06 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.892 0.377 . . . . 74.519999999999996 110.948 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -101.4 119.92 39.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.112 -0.495 . . . . 72.319999999999993 110.876 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 95.9 t -124.08 114.34 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.182 -0.463 . . . . 64.310000000000002 111.112 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 64.0 m170 -118.44 113.36 21.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 55.310000000000002 110.846 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -130.24 115.75 17.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.243 -0.435 . . . . 71.049999999999997 110.907 179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.45 133.35 52.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.284 -0.416 . . . . 73.239999999999995 110.942 -179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -128.5 115.91 18.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.433 . . . . 74.209999999999994 110.895 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.463 HD12 ' HE1' ' A' ' 19' ' ' PHE . 3.9 mm? -115.55 111.49 20.78 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.236 -0.438 . . . . 54.119999999999997 110.896 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.719 HG12 ' CG2' ' B' ' 18' ' ' VAL . 27.4 m -115.75 120.08 63.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.207 -0.451 . . . . 70.040000000000006 111.145 179.792 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.463 ' HE1' HD12 ' A' ' 17' ' ' LEU . 7.7 m-85 -103.48 111.56 24.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 74.129999999999995 110.854 -179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 57.17 77.59 0.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.19 -0.459 . . . . 70.040000000000006 110.877 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.01 125.08 50.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.152 -0.476 . . . . 73.099999999999994 111.084 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.4 83.63 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.244 -0.435 . . . . 64.25 110.905 -179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.689 ' CG1' HG23 ' B' ' 24' ' ' VAL . 4.3 p -123.83 141.44 44.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 75.0 111.151 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.02 -56.39 25.46 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.777 -0.725 . . . . 15.32 112.515 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 73.4 m -159.93 130.61 5.68 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.893 0.378 . . . . 72.450000000000003 110.859 -179.727 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.432 ' OD1' HG11 ' A' ' 24' ' ' VAL . 2.1 m120 -101.61 109.95 21.85 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 71.349999999999994 110.875 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.45 163.25 14.67 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 61.399999999999999 110.922 179.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . 0.419 ' H ' ' HB3' ' F' ' 3' ' ' GLU . . . 61.75 -140.67 47.22 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.757 -0.735 . . . . 32.130000000000003 112.45 179.914 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.12 113.26 20.5 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.751 0.31 . . . . 74.109999999999999 111.06 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.416 HG23 ' ND2' ' A' ' 27' ' ' ASN . 1.8 mm -98.85 107.76 21.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 73.450000000000003 111.133 179.946 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 9.2 mt -136.78 108.8 7.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 72.010000000000005 111.136 179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.413 ' HA3' ' HB3' ' A' ' 19' ' ' PHE . . . -46.42 -51.01 12.66 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.706 -0.759 . . . . 51.130000000000003 112.516 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.811 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -158.8 155.62 28.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.783 0.325 . . . . 64.230000000000004 110.91 -179.965 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -129.76 122.85 29.65 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 73.530000000000001 110.893 179.801 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 98.6 t -130.36 114.56 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 73.140000000000001 111.159 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.93 19.65 56.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 73.319999999999993 112.441 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.39 172.46 15.03 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.736 -0.745 . . . . 43.539999999999999 112.499 -179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.788 HG13 HG23 ' B' ' 39' ' ' VAL . 7.8 p -142.96 144.83 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.897 0.38 . . . . 51.530000000000001 111.115 -179.952 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.413 ' HA ' HG22 ' B' ' 40' ' ' VAL . 35.1 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 65.129999999999995 111.171 179.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.849 0.357 . . . . 72.239999999999995 110.882 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.43 92.73 0.06 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.174 -0.466 . . . . 65.219999999999999 111.121 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -76.86 -21.78 54.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.24 -0.436 . . . . 75.200000000000003 110.886 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.53 ' CE1' ' HB2' ' G' ' 30' ' ' ALA . 0.4 OUTLIER -162.96 114.79 1.53 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.169 -0.468 . . . . 72.450000000000003 110.893 -179.939 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 5.6 mmt180 -111.39 107.2 16.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.452 . . . . 73.230000000000004 110.918 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -106.55 109.29 21.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 74.219999999999999 110.837 -179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -120.38 100.51 7.2 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.222 -0.444 . . . . 74.310000000000002 110.849 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 9.1 t -147.53 175.01 11.18 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.17 -0.468 . . . . 74.239999999999995 110.811 -179.773 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.92 -11.94 33.3 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.708 -0.758 . . . . 52.119999999999997 112.524 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.13 119.11 0.41 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.833 0.349 . . . . 63.109999999999999 110.907 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -101.3 120.18 39.87 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 65.109999999999999 110.914 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 94.8 t -124.19 115.08 43.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.172 -0.467 . . . . 73.109999999999999 111.175 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -118.74 113.53 21.29 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.168 -0.469 . . . . 74.430000000000007 110.818 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -128.97 116.96 20.16 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 65.420000000000002 110.859 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.45 133.12 51.31 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 72.439999999999998 110.876 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -127.86 116.79 20.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.166 -0.47 . . . . 61.32 110.937 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.528 HD12 ' HE1' ' B' ' 19' ' ' PHE . 3.5 mm? -119.07 110.92 17.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.452 . . . . 70.349999999999994 110.935 179.922 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.733 HG12 ' CG2' ' C' ' 18' ' ' VAL . 26.9 m -117.01 120.8 66.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.447 . . . . 73.329999999999998 111.086 179.876 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.528 ' HE1' HD12 ' B' ' 17' ' ' LEU . 4.0 m-30 -102.31 114.52 28.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 75.129999999999995 110.835 -179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 11.0 m-30 56.95 76.19 0.32 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.128 -0.487 . . . . 74.099999999999994 110.884 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.82 124.89 49.75 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.131 -0.486 . . . . 52.299999999999997 111.128 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.42 83.4 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.203 -0.453 . . . . 62.520000000000003 110.855 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.69 ' CG1' HG23 ' C' ' 24' ' ' VAL . 3.3 p -123.82 139.1 51.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 63.43 111.091 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.12 -55.59 29.37 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.718 -0.754 . . . . 52.409999999999997 112.494 179.976 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 74.1 m -159.18 129.73 5.9 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.898 0.38 . . . . 73.329999999999998 110.865 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.406 ' ND2' HG23 ' B' ' 31' ' ' ILE . 2.0 m120 -101.92 108.94 20.55 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.148 -0.478 . . . . 74.430000000000007 110.9 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -110.98 162.97 14.3 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.47 . . . . 73.099999999999994 110.913 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.09 -140.65 45.59 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.747 -0.74 . . . . 64.420000000000002 112.454 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.43 113.35 20.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.737 0.303 . . . . 60.32 111.097 -179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.406 HG23 ' ND2' ' B' ' 27' ' ' ASN . 2.0 mm -100.35 108.02 22.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.199 -0.455 . . . . 73.239999999999995 111.125 179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 mt -134.74 110.08 12.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.132 -0.486 . . . . 75.340000000000003 111.156 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.405 ' HA3' ' HB3' ' B' ' 19' ' ' PHE . . . -44.42 -52.42 7.34 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.747 -0.739 . . . . 70.0 112.478 179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.809 ' N ' HD13 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -157.74 154.44 28.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.791 0.329 . . . . 53.100000000000001 110.942 -179.981 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -125.99 121.09 32.05 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 70.400000000000006 110.864 179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 94.4 t -132.52 114.99 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.175 -0.466 . . . . 73.430000000000007 111.125 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.77 21.08 42.54 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 61.520000000000003 112.479 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.81 172.82 15.54 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.729 -0.748 . . . . 33.210000000000001 112.481 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.788 HG23 HG13 ' A' ' 39' ' ' VAL . 7.1 p -142.67 143.63 25.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.844 0.354 . . . . 73.010000000000005 111.132 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.413 HG22 ' HA ' ' A' ' 40' ' ' VAL . 34.4 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.21 -0.45 . . . . 62.409999999999997 111.098 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 51.5 m-20 . . . . . 0 C--O 1.23 0.052 0 CA-C-O 120.856 0.36 . . . . 54.409999999999997 110.857 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.57 93.04 0.07 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.185 -0.462 . . . . 54.25 111.133 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 37.3 mm-40 -75.29 -19.67 59.55 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.254 -0.43 . . . . 74.329999999999998 110.868 -179.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . 0.539 ' CE1' ' HB2' ' H' ' 30' ' ' ALA . 0.4 OUTLIER -163.26 114.65 1.45 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.139 -0.482 . . . . 75.129999999999995 110.836 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 5.3 mmt180 -112.04 107.0 15.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 74.340000000000003 110.834 -179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -106.23 110.01 22.12 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 65.510000000000005 110.847 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -120.21 100.44 7.19 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.184 -0.462 . . . . 75.019999999999996 110.866 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 9.2 t -147.54 174.84 11.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.154 -0.476 . . . . 72.5 110.88 -179.759 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.14 -11.99 32.68 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 73.140000000000001 112.477 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.38 119.08 0.38 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.861 0.362 . . . . 72.040000000000006 110.941 -179.763 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -101.08 120.09 39.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.157 -0.474 . . . . 75.129999999999995 110.89 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 93.8 t -124.94 114.84 42.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.484 . . . . 61.43 111.132 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -119.34 113.48 20.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.159 -0.473 . . . . 63.030000000000001 110.882 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -127.58 117.73 22.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.44 . . . . 74.420000000000002 110.865 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.29 132.75 51.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.221 -0.445 . . . . 45.409999999999997 110.905 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -126.32 115.87 20.35 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 70.25 110.901 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.426 HD12 ' HE1' ' C' ' 19' ' ' PHE . 3.8 mm? -119.86 111.06 17.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.264 -0.426 . . . . 63.240000000000002 110.932 179.907 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.733 ' CG2' HG12 ' B' ' 18' ' ' VAL . 29.5 m -118.24 121.3 66.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 72.019999999999996 111.098 179.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.426 ' HE1' HD12 ' C' ' 17' ' ' LEU . 2.9 m-30 -101.91 113.94 27.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 72.319999999999993 110.871 179.994 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 11.1 m-30 56.68 75.93 0.33 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.114 -0.494 . . . . 75.439999999999998 110.924 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.93 124.43 48.43 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.128 -0.487 . . . . 61.109999999999999 111.094 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.87 83.12 0.13 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.21 -0.45 . . . . 75.329999999999998 110.928 -179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.69 HG23 ' CG1' ' B' ' 24' ' ' VAL . 3.2 p -122.66 138.86 51.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 71.109999999999999 111.091 -179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.04 -55.98 27.24 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.763 -0.732 . . . . 63.509999999999998 112.448 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 73.9 m -159.08 128.95 5.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.912 0.387 . . . . 62.509999999999998 110.869 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -102.65 109.14 20.65 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 65.219999999999999 110.889 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -110.56 162.81 14.34 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 73.519999999999996 110.911 179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.9 -140.61 44.14 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.695 -0.764 . . . . 63.399999999999999 112.509 179.934 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.45 113.63 20.9 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.759 0.314 . . . . 63.140000000000001 111.084 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . . . . . . . . . 1.8 mm -101.2 107.98 22.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.22 -0.445 . . . . 63.130000000000003 111.159 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 7.1 mt -133.44 111.0 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.143 -0.48 . . . . 75.209999999999994 111.154 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.403 ' HA3' ' HB3' ' C' ' 19' ' ' PHE . . . -44.5 -52.84 7.25 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.763 -0.732 . . . . 71.430000000000007 112.49 179.908 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.81 HD13 ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -156.34 154.06 29.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.794 0.33 . . . . 72.549999999999997 110.924 -179.924 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -126.6 119.59 27.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.46 . . . . 73.450000000000003 110.853 179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 93.8 t -133.31 115.33 22.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.151 -0.477 . . . . 64.329999999999998 111.123 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.19 21.65 40.29 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 61.329999999999998 112.471 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.08 172.87 16.06 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.759 -0.734 . . . . 64.219999999999999 112.471 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.747 HG23 HG13 ' B' ' 39' ' ' VAL . 7.3 p -142.49 143.39 25.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.936 0.398 . . . . 64.329999999999998 111.137 179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.453 ' HA ' HG22 ' D' ' 40' ' ' VAL . 34.9 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.157 -0.474 . . . . 60.149999999999999 111.11 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.83 0.348 . . . . 74.420000000000002 110.871 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -64.48 91.69 0.08 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 72.030000000000001 111.052 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 23.9 mm-40 -77.93 -17.94 56.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 73.010000000000005 110.893 -179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . 0.573 ' CE1' ' HB2' ' I' ' 30' ' ' ALA . 0.5 OUTLIER -162.86 114.69 1.54 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 61.240000000000002 110.889 -179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 5.4 mmt180 -112.6 107.18 15.79 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 73.319999999999993 110.85 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -106.41 110.12 22.25 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.167 -0.469 . . . . 71.510000000000005 110.847 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -119.19 100.36 7.28 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 73.430000000000007 110.87 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 8.9 t -147.82 174.58 11.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 72.310000000000002 110.882 -179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.23 -12.28 31.75 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.743 -0.742 . . . . 74.319999999999993 112.479 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -172.26 119.93 0.41 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.874 0.368 . . . . 74.209999999999994 110.936 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -101.65 120.18 39.94 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.114 -0.494 . . . . 72.219999999999999 110.89 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 88.7 t -124.22 114.92 43.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.144 -0.48 . . . . 74.329999999999998 111.138 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 63.8 m170 -118.98 113.43 20.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.172 -0.467 . . . . 75.540000000000006 110.872 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -127.19 116.95 21.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.183 -0.462 . . . . 73.019999999999996 110.85 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.39 132.79 51.46 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.22 -0.445 . . . . 71.420000000000002 110.909 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.431 ' O ' HD22 ' D' ' 17' ' ' LEU . 2.8 tptm -125.77 115.88 20.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.244 -0.435 . . . . 75.230000000000004 110.911 179.981 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.448 ' CB ' HD13 ' E' ' 17' ' ' LEU . 3.8 mm? -121.32 110.69 16.43 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.229 -0.441 . . . . 73.340000000000003 110.901 179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.705 ' CG2' HG12 ' C' ' 18' ' ' VAL . 26.8 m -118.32 122.58 69.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 43.219999999999999 111.131 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.422 ' N ' ' CD1' ' D' ' 19' ' ' PHE . 2.0 m-30 -101.97 113.61 26.99 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 64.120000000000005 110.91 179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 11.9 m-30 56.04 76.07 0.3 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 75.349999999999994 110.88 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.96 124.53 48.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.132 -0.486 . . . . 75.299999999999997 111.148 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.9 83.44 0.12 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.261 -0.427 . . . . 65.310000000000002 110.871 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.686 ' CG1' HG23 ' E' ' 24' ' ' VAL . 3.4 p -122.56 138.14 53.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 73.109999999999999 111.139 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.53 -55.26 30.97 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.714 -0.755 . . . . 70.030000000000001 112.527 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 73.5 m -159.79 127.16 4.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 62.350000000000001 110.864 -179.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.434 ' OD1' HG11 ' D' ' 24' ' ' VAL . 1.9 m120 -102.61 110.31 22.21 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 73.319999999999993 110.882 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -111.08 162.54 14.79 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.163 -0.471 . . . . 74.530000000000001 110.905 179.921 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.01 -140.51 42.06 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.751 -0.738 . . . . 75.230000000000004 112.547 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.78 113.9 21.23 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.731 0.301 . . . . 71.030000000000001 111.106 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.406 HD12 ' HB3' ' D' ' 27' ' ' ASN . 1.7 mm -102.37 108.75 24.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 73.319999999999993 111.196 179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 mt -132.68 112.99 19.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.193 -0.458 . . . . 62.130000000000003 111.129 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . 0.471 ' C ' HD13 ' D' ' 34' ' ' LEU . . . -44.92 -53.75 7.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.729 -0.748 . . . . 71.400000000000006 112.477 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.782 ' N ' HD13 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -154.89 152.95 30.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.827 0.346 . . . . 72.420000000000002 110.908 -179.871 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 2.8 mtp -126.93 119.14 26.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 44.219999999999999 110.882 179.805 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 87.1 t -134.76 114.77 18.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.197 -0.456 . . . . 72.540000000000006 111.121 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.53 22.03 44.17 Favored Glycine 0 N--CA 1.452 -0.24 0 C-N-CA 120.709 -0.758 . . . . 63.25 112.458 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.66 173.59 17.05 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.727 -0.749 . . . . 60.240000000000002 112.496 -179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.704 HG23 HG13 ' C' ' 39' ' ' VAL . 7.2 p -142.21 143.85 25.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.882 0.372 . . . . 60.450000000000003 111.132 -179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.453 HG22 ' HA ' ' C' ' 40' ' ' VAL . 34.9 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 71.340000000000003 111.162 179.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 51.8 m-20 . . . . . 0 C--O 1.231 0.105 0 CA-C-O 120.846 0.355 . . . . 51.32 110.875 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -63.83 95.41 0.11 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.176 -0.465 . . . . 63.229999999999997 111.124 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 32.9 mm-40 -75.41 -20.2 59.06 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.226 -0.443 . . . . 71.420000000000002 110.852 -179.899 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . 0.475 ' CD1' ' HB2' ' J' ' 30' ' ' ALA . 0.4 OUTLIER -161.47 116.77 2.07 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.169 -0.469 . . . . 70.540000000000006 110.886 -179.9 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -110.02 107.73 17.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.128 -0.487 . . . . 74.420000000000002 110.88 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -106.0 111.96 24.81 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.474 . . . . 72.420000000000002 110.882 179.982 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -118.99 100.81 7.6 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.22 -0.446 . . . . 70.150000000000006 110.866 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 9.1 t -148.99 173.54 13.24 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.169 -0.469 . . . . 72.030000000000001 110.862 -179.753 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.25 -12.68 33.01 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.766 -0.73 . . . . 41.240000000000002 112.468 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.11 120.07 0.43 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.883 0.373 . . . . 73.540000000000006 110.923 -179.792 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -101.91 120.42 40.36 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.098 -0.501 . . . . 72.010000000000005 110.925 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 98.0 t -123.31 114.76 43.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 73.109999999999999 111.135 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 63.6 m170 -119.19 113.8 21.45 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.145 -0.48 . . . . 74.230000000000004 110.875 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -127.7 117.21 21.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.213 -0.449 . . . . 71.439999999999998 110.844 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.01 133.34 50.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 74.219999999999999 110.879 -179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . 0.444 ' O ' HD22 ' E' ' 17' ' ' LEU . 3.0 tptm -124.96 115.06 19.98 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.48 . . . . 64.349999999999994 110.907 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.448 HD13 ' CB ' ' D' ' 17' ' ' LEU . 3.9 mm? -121.72 107.93 12.93 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.229 -0.441 . . . . 64.140000000000001 110.916 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.694 ' CG2' HG12 ' D' ' 18' ' ' VAL . 30.2 m -115.27 123.71 71.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 63.299999999999997 111.127 179.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.422 ' CD1' ' N ' ' E' ' 19' ' ' PHE . 1.3 m-85 -102.12 111.06 23.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.18 -0.464 . . . . 73.329999999999998 110.878 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.436 ' CE2' HG22 ' E' ' 31' ' ' ILE . 13.0 m-30 57.99 75.59 0.37 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 74.329999999999998 110.86 -179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.5 125.12 49.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 74.239999999999995 111.066 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.94 83.42 0.13 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.146 -0.479 . . . . 75.329999999999998 110.858 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.686 HG23 ' CG1' ' D' ' 24' ' ' VAL . 3.4 p -122.48 137.34 56.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 52.409999999999997 111.158 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.76 -55.2 29.89 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.737 -0.744 . . . . 34.030000000000001 112.494 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 73.4 m -159.54 125.18 4.22 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.835 0.35 . . . . 72.299999999999997 110.859 -179.729 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.441 ' HB3' HD12 ' E' ' 31' ' ' ILE . 2.2 m120 -102.18 112.54 25.25 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 64.120000000000005 110.89 -179.982 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -112.53 164.08 13.73 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.184 -0.462 . . . . 72.109999999999999 110.928 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.86 -141.19 43.3 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.748 -0.739 . . . . 61.439999999999998 112.503 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -83.85 114.02 21.35 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.712 0.291 . . . . 62.100000000000001 111.142 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.441 HD12 ' HB3' ' E' ' 27' ' ' ASN . 1.8 mm -101.24 108.33 23.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.216 -0.447 . . . . 63.310000000000002 111.133 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 5.7 mt -129.38 112.88 26.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 52.229999999999997 111.136 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . 0.599 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -46.04 -51.29 11.29 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.738 -0.744 . . . . 61.399999999999999 112.468 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.738 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -154.91 154.42 32.62 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.823 0.344 . . . . 64.400000000000006 110.899 -179.91 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.404 ' H ' HD22 ' D' ' 34' ' ' LEU . 3.2 mtp -130.96 118.43 20.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.144 -0.48 . . . . 73.140000000000001 110.859 179.865 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 94.1 t -138.43 114.96 10.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.244 -0.435 . . . . 75.530000000000001 111.129 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.78 21.93 38.61 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.716 -0.754 . . . . 70.030000000000001 112.478 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.14 173.99 17.81 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.713 -0.756 . . . . 74.319999999999993 112.532 -179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.697 HG23 HG13 ' D' ' 39' ' ' VAL . 7.1 p -142.12 143.52 26.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.877 0.37 . . . . 61.100000000000001 111.125 -179.962 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.416 HG22 ' HA ' ' D' ' 40' ' ' VAL . 35.7 m . . . . . 0 C--N 1.33 -0.283 0 CA-C-N 116.172 -0.467 . . . . 74.329999999999998 111.136 179.908 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 . . . . . 0 C--O 1.23 0.072 0 CA-C-O 120.811 0.339 . . . . 71.140000000000001 110.863 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.59 92.53 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 64.340000000000003 111.128 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . 0.419 ' HB3' ' H ' ' A' ' 29' ' ' GLY . 25.4 mm-40 -76.26 -23.99 54.47 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.249 -0.432 . . . . 74.319999999999993 110.903 -179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.49 115.3 4.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.128 -0.487 . . . . 75.430000000000007 110.847 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 5.7 mmt180 -108.35 108.96 20.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 74.439999999999998 110.878 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -106.84 108.35 19.81 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 70.530000000000001 110.874 179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -118.92 106.31 12.34 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.44 . . . . 75.510000000000005 110.869 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 9.2 t -145.99 174.08 11.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.218 -0.446 . . . . 71.329999999999998 110.871 -179.785 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.41 -13.52 32.73 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.716 -0.754 . . . . 60.439999999999998 112.493 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.46 119.92 0.4 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.853 0.359 . . . . 74.219999999999999 110.912 -179.744 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -102.84 120.0 39.84 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 73.040000000000006 110.9 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 94.2 t -122.86 114.1 40.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.135 -0.484 . . . . 52.229999999999997 111.121 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 64.2 m170 -118.03 113.65 21.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.483 . . . . 71.310000000000002 110.911 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -131.18 114.3 14.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 74.430000000000007 110.795 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -124.96 133.69 52.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.196 -0.456 . . . . 74.230000000000004 110.887 -179.938 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 2.7 tptm -129.3 115.52 17.71 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 63.109999999999999 110.892 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.42 HD12 ' HE1' ' F' ' 19' ' ' PHE . 3.9 mm? -114.58 111.3 21.14 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 74.519999999999996 110.957 179.901 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.719 HG12 ' CG2' ' G' ' 18' ' ' VAL . 26.9 m -115.78 120.57 65.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.176 -0.465 . . . . 72.329999999999998 111.116 179.89 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.42 ' HE1' HD12 ' F' ' 17' ' ' LEU . 7.8 m-85 -102.8 112.56 25.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.195 -0.457 . . . . 73.230000000000004 110.86 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 12.1 m-30 56.84 75.56 0.35 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.151 -0.477 . . . . 75.540000000000006 110.823 -179.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -104.64 126.08 51.38 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.171 -0.468 . . . . 71.099999999999994 111.1 179.915 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.53 82.13 0.16 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.221 -0.445 . . . . 74.0 110.861 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.674 ' CG1' HG23 ' G' ' 24' ' ' VAL . 5.0 p -122.82 140.57 46.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 73.120000000000005 111.109 -179.995 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.4 -55.81 27.67 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.791 -0.718 . . . . 74.439999999999998 112.455 179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 75.6 m -161.73 129.43 4.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.887 0.375 . . . . 72.109999999999999 110.836 -179.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . 0.437 ' OD1' HG11 ' F' ' 24' ' ' VAL . 1.9 m120 -100.39 107.35 19.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.128 -0.487 . . . . 74.299999999999997 110.882 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -112.69 162.15 16.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 74.319999999999993 110.878 179.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.83 -140.11 43.72 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.724 -0.751 . . . . 32.549999999999997 112.478 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.526 ' HB2' ' CE1' ' A' ' 4' ' ' PHE . . . -83.22 113.69 20.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.768 0.318 . . . . 54.100000000000001 111.099 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.428 HG23 ' ND2' ' F' ' 27' ' ' ASN . 2.3 mm -101.62 111.82 32.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.248 -0.433 . . . . 61.100000000000001 111.153 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 13.2 mt -138.71 108.68 4.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.145 -0.479 . . . . 73.430000000000007 111.144 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.27 -52.17 10.81 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.716 -0.754 . . . . 70.099999999999994 112.467 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.797 HD13 ' N ' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -160.4 156.31 25.93 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.762 0.315 . . . . 62.399999999999999 110.913 -179.888 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.8 mtp -130.38 122.65 28.23 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 54.509999999999998 110.897 179.777 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 94.4 t -130.49 116.12 34.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 71.109999999999999 111.146 179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.21 19.67 52.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 71.219999999999999 112.485 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.91 173.14 15.33 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.73 -0.747 . . . . 74.109999999999999 112.488 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.779 HG13 HG23 ' G' ' 39' ' ' VAL . 7.8 p -142.97 145.35 23.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.853 0.359 . . . . 55.140000000000001 111.144 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.414 ' HA ' HG22 ' G' ' 40' ' ' VAL . 34.9 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.169 -0.469 . . . . 75.329999999999998 111.128 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 52.2 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.802 0.334 . . . . 63.549999999999997 110.9 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.96 93.82 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 41.030000000000001 111.094 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 3' ' ' GLU . . . . . 0.428 ' HG2' ' HA ' ' H' ' 3' ' ' GLU . 28.2 mm-40 -73.94 -23.7 59.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 75.030000000000001 110.91 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.77 115.21 4.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.099 -0.5 . . . . 71.400000000000006 110.866 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -107.54 109.11 20.69 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 74.439999999999998 110.88 -179.945 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -105.39 108.85 20.58 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.172 -0.467 . . . . 72.540000000000006 110.868 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -117.9 105.01 11.47 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 73.439999999999998 110.893 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 9.0 t -145.92 173.89 11.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.143 -0.48 . . . . 50.32 110.861 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.08 -13.2 32.03 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.699 -0.762 . . . . 45.229999999999997 112.488 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.6 119.28 0.37 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.824 0.345 . . . . 75.430000000000007 110.895 -179.809 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -101.47 119.62 39.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.107 -0.497 . . . . 64.140000000000001 110.921 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 90.5 t -122.7 114.32 41.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 73.049999999999997 111.142 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -118.24 113.84 22.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 74.109999999999999 110.878 179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -130.06 115.89 17.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 73.319999999999993 110.838 -179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.5 132.79 51.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 71.239999999999995 110.957 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -127.64 116.27 20.03 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.246 -0.434 . . . . 63.219999999999999 110.93 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.518 HD12 ' HE1' ' G' ' 19' ' ' PHE . 3.4 mm? -117.67 111.52 19.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.223 -0.444 . . . . 41.530000000000001 110.927 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.728 HG12 ' CG2' ' H' ' 18' ' ' VAL . 33.8 m -117.7 121.47 67.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.197 -0.456 . . . . 70.200000000000003 111.132 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.518 ' HE1' HD12 ' G' ' 17' ' ' LEU . 4.0 m-30 -102.13 114.17 28.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.156 -0.475 . . . . 62.200000000000003 110.839 -179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 11.1 m-30 57.16 75.49 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.124 -0.489 . . . . 71.239999999999995 110.874 -179.94 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.88 126.21 50.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 62.420000000000002 111.118 179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.49 82.11 0.16 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 64.129999999999995 110.854 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.684 ' CG1' HG23 ' H' ' 24' ' ' VAL . 3.1 p -123.1 138.63 52.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.465 . . . . 64.200000000000003 111.138 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.99 -54.9 33.8 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.728 -0.748 . . . . 62.119999999999997 112.491 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 75.4 m -161.63 128.71 3.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.909 0.385 . . . . 70.340000000000003 110.845 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . 0.41 ' OD1' HG11 ' G' ' 24' ' ' VAL . 2.0 m120 -100.78 106.96 18.42 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.096 -0.502 . . . . 72.400000000000006 110.901 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -111.34 161.14 16.37 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.466 . . . . 72.439999999999998 110.925 179.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.24 -140.78 42.01 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.757 -0.735 . . . . 73.439999999999998 112.517 179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.53 ' HB2' ' CE1' ' B' ' 4' ' ' PHE . . . -83.28 114.02 21.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.731 0.301 . . . . 64.540000000000006 111.082 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.403 HG23 ' ND2' ' G' ' 27' ' ' ASN . 2.3 mm -102.88 112.56 36.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 61.439999999999998 111.105 179.986 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 11.1 mt -136.43 110.22 9.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.142 -0.481 . . . . 74.120000000000005 111.134 179.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.04 -53.35 9.12 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.684 -0.77 . . . . 63.520000000000003 112.48 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.811 ' N ' HD13 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -158.05 154.89 28.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.785 0.326 . . . . 70.420000000000002 110.902 -179.903 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -127.5 120.95 29.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 63.549999999999997 110.894 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 92.3 t -132.41 115.6 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 71.409999999999997 111.175 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.16 20.47 43.11 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.724 -0.75 . . . . 73.510000000000005 112.551 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.73 172.77 15.55 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.737 -0.744 . . . . 63.100000000000001 112.505 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.779 HG23 HG13 ' F' ' 39' ' ' VAL . 7.2 p -142.63 144.5 24.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.859 0.362 . . . . 61.210000000000001 111.119 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.423 ' HA ' HG22 ' H' ' 40' ' ' VAL . 35.3 m . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 72.349999999999994 111.121 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.814 0.34 . . . . 73.109999999999999 110.886 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.45 94.15 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 73.400000000000006 111.081 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 3' ' ' GLU . . . . . 0.428 ' HA ' ' HG2' ' G' ' 3' ' ' GLU . 31.2 mm-40 -75.87 -22.99 55.62 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.17 -0.468 . . . . 53.439999999999998 110.839 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -151.28 115.71 5.1 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.181 -0.463 . . . . 61.530000000000001 110.928 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -107.53 109.14 20.74 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.125 -0.489 . . . . 70.239999999999995 110.903 -179.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -105.0 109.13 21.0 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.464 . . . . 61.340000000000003 110.867 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -117.33 103.88 10.58 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 65.140000000000001 110.848 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 9.0 t -145.62 173.77 11.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.444 . . . . 62.240000000000002 110.868 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.58 -12.92 31.57 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.733 -0.746 . . . . 62.5 112.501 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.44 119.88 0.4 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.879 0.371 . . . . 70.409999999999997 110.918 -179.818 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -101.29 119.99 39.58 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.113 -0.494 . . . . 55.310000000000002 110.898 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 92.2 t -123.51 114.33 41.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.176 -0.465 . . . . 61.130000000000003 111.131 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 63.0 m170 -119.12 113.45 20.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 74.019999999999996 110.879 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 4.3 m-70 -128.9 116.11 18.9 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.145 -0.48 . . . . 74.129999999999995 110.845 -179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.42 132.57 51.46 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.255 -0.43 . . . . 74.230000000000004 110.923 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -126.3 116.6 21.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 64.439999999999998 110.937 179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.418 HD13 ' CB ' ' G' ' 17' ' ' LEU . 3.8 mm? -119.56 111.48 18.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.214 -0.448 . . . . 74.439999999999998 110.932 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.728 ' CG2' HG12 ' G' ' 18' ' ' VAL . 33.0 m -118.76 121.82 67.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 71.400000000000006 111.132 179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.415 ' CD2' HD12 ' I' ' 34' ' ' LEU . 3.0 m-30 -101.76 113.4 26.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 75.019999999999996 110.867 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 11.3 m-30 56.56 74.85 0.38 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 70.349999999999994 110.893 -179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -102.99 125.89 49.94 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.132 -0.485 . . . . 70.150000000000006 111.131 179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 58.92 82.34 0.14 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.201 -0.454 . . . . 44.240000000000002 110.92 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.684 HG23 ' CG1' ' G' ' 24' ' ' VAL . 3.1 p -122.67 138.56 52.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 73.200000000000003 111.15 179.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.2 -55.58 29.62 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.749 -0.739 . . . . 41.399999999999999 112.482 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 74.5 m -161.8 127.29 3.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.915 0.388 . . . . 54.140000000000001 110.867 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . 0.434 ' OD1' HG11 ' H' ' 24' ' ' VAL . 1.8 m120 -100.49 107.56 19.3 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.079 -0.51 . . . . 72.319999999999993 110.856 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -111.31 161.14 16.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 64.230000000000004 110.913 179.872 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.87 -141.41 41.79 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.723 -0.751 . . . . 63.32 112.539 179.997 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . 0.539 ' HB2' ' CE1' ' C' ' 4' ' ' PHE . . . -82.87 113.97 20.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.735 0.302 . . . . 54.420000000000002 111.099 179.965 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . . . . . . . . . 2.4 mm -103.46 113.21 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 55.439999999999998 111.136 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 9.5 mt -135.21 110.96 12.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 72.400000000000006 111.107 179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . 0.402 ' C ' HD13 ' H' ' 34' ' ' LEU . . . -46.25 -54.06 8.83 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.707 -0.759 . . . . 71.109999999999999 112.498 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.801 HD13 ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -156.34 153.89 29.71 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.783 0.325 . . . . 63.219999999999999 110.939 -179.921 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -127.05 119.5 26.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.163 -0.471 . . . . 75.239999999999995 110.852 179.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 93.4 t -133.27 115.6 23.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.255 -0.429 . . . . 73.310000000000002 111.15 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.35 21.36 40.34 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.722 -0.752 . . . . 72.099999999999994 112.499 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.52 173.3 16.16 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.744 -0.741 . . . . 70.299999999999997 112.452 -179.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.736 HG23 HG13 ' G' ' 39' ' ' VAL . 7.5 p -142.91 144.11 24.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.852 0.358 . . . . 73.129999999999995 111.14 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . 0.463 ' HA ' HG22 ' I' ' 40' ' ' VAL . 35.1 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 71.239999999999995 111.135 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 52.5 m-20 . . . . . 0 C--O 1.23 0.063 0 CA-C-O 120.803 0.335 . . . . 72.299999999999997 110.867 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -62.39 93.1 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 61.409999999999997 111.134 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 28.8 mm-40 -77.15 -20.15 55.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.439 . . . . 74.099999999999994 110.949 -179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -150.93 116.31 5.39 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.117 -0.492 . . . . 63.229999999999997 110.938 -179.97 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mmt180 -107.19 108.91 20.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 73.439999999999998 110.872 -179.889 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -105.68 108.98 20.78 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.183 -0.462 . . . . 74.420000000000002 110.891 179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -117.25 104.5 11.23 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.203 -0.453 . . . . 70.349999999999994 110.893 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 8.9 t -146.35 173.51 12.19 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.476 . . . . 71.319999999999993 110.885 -179.775 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.48 -13.36 30.63 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.758 -0.734 . . . . 72.299999999999997 112.499 179.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -172.48 119.79 0.39 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.829 0.347 . . . . 75.109999999999999 110.926 -179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -100.58 119.98 39.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.119 -0.491 . . . . 72.409999999999997 110.869 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 90.3 t -123.44 114.21 40.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.192 -0.458 . . . . 73.540000000000006 111.142 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -119.1 113.51 21.03 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.191 -0.459 . . . . 74.219999999999999 110.895 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 4.2 m-70 -128.88 116.12 18.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.273 -0.421 . . . . 75.219999999999999 110.831 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.74 132.75 51.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 74.439999999999998 110.949 -179.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . 0.436 ' HD2' HG13 ' I' ' 18' ' ' VAL . 2.7 tptm -125.08 116.4 22.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.205 -0.452 . . . . 73.239999999999995 110.914 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.448 ' CB ' HD13 ' J' ' 17' ' ' LEU . 3.8 mm? -120.78 110.83 16.83 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.276 -0.42 . . . . 55.020000000000003 110.937 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . 0.702 ' CG2' HG12 ' H' ' 18' ' ' VAL . 28.8 m -118.4 122.9 70.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.183 -0.462 . . . . 72.140000000000001 111.167 179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . 0.415 ' N ' ' CD1' ' I' ' 19' ' ' PHE . 2.2 m-30 -101.88 112.38 24.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.158 -0.473 . . . . 65.519999999999996 110.879 -179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 12.0 m-30 56.45 74.07 0.41 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 70.0 110.917 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.02 126.1 50.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 63.399999999999999 111.084 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.37 81.2 0.17 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.215 -0.448 . . . . 74.010000000000005 110.904 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.681 HG23 ' CG1' ' H' ' 24' ' ' VAL . 2.8 p -121.85 138.21 52.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.171 -0.468 . . . . 65.239999999999995 111.079 -179.935 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.55 -55.65 29.31 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 73.239999999999995 112.457 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 74.4 m -161.82 125.47 3.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.88 0.371 . . . . 65.129999999999995 110.828 -179.713 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . 0.454 ' OD1' HG11 ' I' ' 24' ' ' VAL . 1.8 m120 -100.65 107.24 18.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.089 -0.505 . . . . 72.310000000000002 110.89 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -111.87 161.54 16.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.15 -0.477 . . . . 74.140000000000001 110.883 179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.41 -140.83 37.9 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.796 -0.716 . . . . 63.240000000000002 112.49 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.573 ' HB2' ' CE1' ' D' ' 4' ' ' PHE . . . -83.08 113.68 20.78 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.747 0.308 . . . . 61.450000000000003 111.126 179.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . . . . . . . . . 2.3 mm -104.89 113.22 41.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.221 -0.445 . . . . 74.329999999999998 111.128 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 8.2 mt -133.99 112.3 16.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.211 -0.45 . . . . 62.399999999999999 111.105 179.852 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . 0.485 ' C ' HD13 ' I' ' 34' ' ' LEU . . . -46.39 -55.16 8.05 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 51.439999999999998 112.489 179.891 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.782 ' N ' HD13 ' I' ' 34' ' ' LEU . 0.0 OUTLIER -155.36 152.97 29.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.787 0.327 . . . . 63.539999999999999 110.936 -179.988 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.8 mtp -127.44 118.91 24.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.194 -0.457 . . . . 53.310000000000002 110.917 179.85 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 88.2 t -134.24 114.74 19.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.252 -0.431 . . . . 73.340000000000003 111.147 179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.25 22.27 43.2 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.735 -0.745 . . . . 70.019999999999996 112.524 -179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.24 173.84 16.89 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.745 -0.741 . . . . 44.240000000000002 112.455 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 0.705 HG23 HG13 ' H' ' 39' ' ' VAL . 7.4 p -142.51 143.89 25.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 72.120000000000005 111.125 -179.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . 0.463 HG22 ' HA ' ' H' ' 40' ' ' VAL . 34.7 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.149 -0.478 . . . . 65.230000000000004 111.165 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 52.6 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.834 0.349 . . . . 74.319999999999993 110.877 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -61.44 94.43 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.465 . . . . 70.129999999999995 111.125 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 31.9 mm-40 -73.34 -21.36 60.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.222 -0.445 . . . . 73.25 110.848 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -147.97 116.68 6.69 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 71.340000000000003 110.867 -179.944 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 5.9 mmt180 -107.23 108.93 20.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 73.129999999999995 110.903 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 1.8 t60 -104.78 110.2 22.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 74.209999999999994 110.898 180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -117.17 103.3 10.06 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 53.439999999999998 110.873 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 8.8 t -146.39 172.4 13.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.449 . . . . 75.120000000000005 110.901 -179.769 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.06 -13.4 33.91 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.726 -0.75 . . . . 54.509999999999998 112.494 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.35 119.8 0.4 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.795 0.331 . . . . 54.549999999999997 110.972 -179.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 43.8 tt0 -99.8 120.01 39.07 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 63.009999999999998 110.887 -179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 97.4 t -123.96 114.49 41.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 75.230000000000004 111.059 -179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 63.1 m170 -119.31 114.33 22.21 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 73.129999999999995 110.851 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 4.1 m-70 -128.31 115.65 18.61 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.453 . . . . 52.25 110.813 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.22 133.26 50.26 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.21 -0.45 . . . . 63.340000000000003 110.862 -179.913 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . 0.432 ' O ' HD22 ' J' ' 17' ' ' LEU . 3.0 tptm -125.34 115.75 20.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.182 -0.463 . . . . 72.420000000000002 110.873 179.974 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.448 HD13 ' CB ' ' I' ' 17' ' ' LEU . 3.9 mm? -121.59 107.8 12.82 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.216 -0.447 . . . . 63.200000000000003 110.942 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.691 ' CG2' HG12 ' I' ' 18' ' ' VAL . 28.8 m -115.12 123.96 71.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.456 . . . . 52.009999999999998 111.161 179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.432 ' CD1' ' N ' ' J' ' 19' ' ' PHE . 1.3 m-85 -102.21 110.33 22.25 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.18 -0.464 . . . . 72.349999999999994 110.909 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . 0.439 ' CE2' HG22 ' J' ' 31' ' ' ILE . 13.2 m-30 57.59 74.55 0.41 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.164 -0.471 . . . . 65.430000000000007 110.89 -179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.85 125.89 50.59 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.161 -0.472 . . . . 73.239999999999995 111.106 179.92 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 59.01 81.8 0.16 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 62.420000000000002 110.862 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.679 HG23 ' CG1' ' I' ' 24' ' ' VAL . 3.0 p -121.09 138.08 52.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.186 -0.461 . . . . 75.319999999999993 111.101 -179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.62 -56.06 27.36 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.795 -0.717 . . . . 71.099999999999994 112.44 179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 74.8 m -162.0 121.63 2.44 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.896 0.379 . . . . 53.219999999999999 110.883 -179.771 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . 0.482 ' OD1' HG11 ' J' ' 24' ' ' VAL . 2.2 m120 -100.98 108.42 20.14 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.115 -0.493 . . . . 74.230000000000004 110.926 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -112.37 163.88 13.9 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.162 -0.472 . . . . 74.540000000000006 110.921 179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.72 -141.32 38.19 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.739 -0.743 . . . . 55.240000000000002 112.544 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 0.475 ' HB2' ' CD1' ' E' ' 4' ' ' PHE . . . -83.24 113.83 20.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.802 0.334 . . . . 63.240000000000002 111.081 179.949 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.439 HG22 ' CE2' ' J' ' 20' ' ' PHE . 2.1 mm -104.53 113.76 42.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.191 -0.459 . . . . 64.200000000000003 111.136 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 6.9 mt -130.71 111.61 20.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.476 . . . . 70.25 111.124 179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . 0.577 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -47.35 -53.14 12.37 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.756 -0.735 . . . . 62.109999999999999 112.448 179.927 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.746 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -154.8 153.62 31.49 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.779 0.323 . . . . 63.200000000000003 110.927 -179.96 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . 0.404 ' H ' HD22 ' I' ' 34' ' ' LEU . 3.1 mtp -131.24 118.25 20.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.471 . . . . 73.340000000000003 110.88 179.879 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 84.1 t -138.25 114.73 10.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.26 -0.427 . . . . 73.439999999999998 111.104 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.33 21.72 41.57 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.807 -0.711 . . . . 55.420000000000002 112.444 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.97 174.18 18.13 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 74.0 112.514 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.634 HG23 HG13 ' I' ' 39' ' ' VAL . 7.1 p -141.61 142.93 28.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 75.230000000000004 111.14 -179.988 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.455 HG22 ' HA ' ' I' ' 40' ' ' VAL . 35.7 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 70.040000000000006 111.157 179.898 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.23 0.077 0 CA-C-O 120.822 0.344 . . . . 50.520000000000003 110.875 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.62 98.34 1.15 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 63.43 111.107 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 42.8 mp0 -52.29 -29.69 24.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 71.450000000000003 110.903 -179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.56 ' CE2' ' HB2' ' F' ' 30' ' ' ALA . 2.1 m-85 -150.58 112.66 4.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.144 -0.48 . . . . 72.299999999999997 110.939 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.9 108.41 6.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 74.450000000000003 110.897 -179.901 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -114.69 129.22 56.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 64.319999999999993 110.846 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -133.42 101.7 5.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.226 -0.443 . . . . 62.539999999999999 110.841 -179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 90.3 p -152.87 128.34 9.97 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 73.450000000000003 110.8 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.03 -27.47 10.48 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.69 -0.766 . . . . 64.120000000000005 112.524 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.47 114.91 5.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.872 0.368 . . . . 71.200000000000003 110.881 -179.799 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -114.25 119.67 37.8 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.105 -0.498 . . . . 64.040000000000006 110.835 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.7 t -136.16 119.54 23.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.157 -0.474 . . . . 52.329999999999998 111.103 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 9.7 m170 -121.54 112.38 18.42 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.163 -0.471 . . . . 65.510000000000005 110.858 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -119.19 123.94 45.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 74.329999999999998 110.871 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 21.3 mm100 -126.17 135.92 52.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.227 -0.442 . . . . 64.450000000000003 110.925 -179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 8.8 tttp -132.32 121.83 24.15 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.18 -0.464 . . . . 74.329999999999998 110.921 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.735 HD21 ' O ' ' F' ' 37' ' ' GLY . 4.2 mm? -113.52 107.01 15.24 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.206 -0.452 . . . . 74.209999999999994 110.882 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.468 ' CG1' ' HB2' ' A' ' 21' ' ' ALA . 18.6 t -105.81 109.54 28.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.176 -0.466 . . . . 74.200000000000003 111.127 179.824 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.451 ' HE1' HD12 ' A' ' 17' ' ' LEU . 11.7 m-30 -102.26 111.45 23.74 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 74.310000000000002 110.912 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 7.4 m-30 54.29 90.86 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.106 -0.497 . . . . 75.450000000000003 110.924 -179.884 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.468 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . . . -118.46 147.77 43.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.173 -0.467 . . . . 51.109999999999999 111.097 179.933 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 53.11 82.13 0.08 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 73.439999999999998 110.867 179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.624 HG11 ' OD1' ' A' ' 27' ' ' ASN . 6.8 p -132.14 128.3 58.85 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.196 -0.456 . . . . 62.420000000000002 111.12 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.33 -47.0 63.12 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.755 -0.736 . . . . 51.009999999999998 112.467 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 32.2 m -164.29 135.79 4.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.829 0.347 . . . . 72.030000000000001 110.846 -179.707 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.624 ' OD1' HG11 ' A' ' 24' ' ' VAL . 13.6 m120 -107.18 103.31 12.66 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.136 -0.483 . . . . 51.329999999999998 110.886 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 2.4 tptp -114.06 154.26 28.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.154 -0.475 . . . . 62.409999999999997 110.92 179.885 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.82 -139.79 26.85 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.741 -0.743 . . . . 60.329999999999998 112.521 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.567 ' HB2' ' CE2' ' F' ' 4' ' ' PHE . . . -87.77 114.16 24.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.768 0.318 . . . . 74.409999999999997 111.122 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.455 HD13 ' C ' ' A' ' 30' ' ' ALA . 0.6 OUTLIER -112.83 109.01 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 72.510000000000005 111.132 180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 6.0 mt -131.77 108.9 14.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 61.340000000000003 111.124 179.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.31 -49.23 20.06 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.741 -0.743 . . . . 71.409999999999997 112.504 179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.823 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -158.36 153.72 25.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.779 0.323 . . . . 71.129999999999995 110.91 -179.906 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -126.01 121.93 34.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.205 -0.452 . . . . 52.119999999999997 110.867 179.807 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.41 HG11 HG21 ' F' ' 36' ' ' VAL . 89.9 t -125.45 112.04 29.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.235 -0.439 . . . . 71.019999999999996 111.144 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . 0.713 ' O ' HD21 ' F' ' 17' ' ' LEU . . . 61.92 15.51 49.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.786 -0.721 . . . . 61.140000000000001 112.453 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -139.01 154.43 23.3 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.767 -0.73 . . . . 74.409999999999997 112.48 -179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.633 ' H ' HG12 ' B' ' 39' ' ' VAL . 15.8 m -128.57 -176.49 1.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.867 0.365 . . . . 52.119999999999997 111.124 -179.973 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 73.510000000000005 111.15 179.888 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.814 0.34 . . . . 75.129999999999995 110.921 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.25 98.92 1.09 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.451 . . . . 73.409999999999997 111.056 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 39.9 mp0 -53.06 -28.25 23.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 72.409999999999997 110.862 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.583 ' CE2' ' HB2' ' G' ' 30' ' ' ALA . 2.3 m-85 -151.72 112.16 4.15 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.474 . . . . 74.319999999999993 110.86 -179.905 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.4 108.55 8.23 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.207 -0.451 . . . . 71.25 110.885 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 4.4 t60 -115.01 129.05 56.62 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 63.310000000000002 110.877 -179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -133.8 102.31 5.41 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.235 -0.439 . . . . 71.099999999999994 110.884 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' C' ' 8' ' ' SER . 88.8 p -154.49 127.67 8.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 75.299999999999997 110.847 -179.735 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.85 -26.3 10.83 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.757 -0.735 . . . . 32.539999999999999 112.491 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.31 112.83 5.02 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.826 0.346 . . . . 75.129999999999995 110.961 -179.809 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -111.31 119.95 40.58 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.49 . . . . 71.230000000000004 110.859 -179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 31.3 t -134.36 121.42 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 62.020000000000003 111.141 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -121.46 112.54 18.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 74.219999999999999 110.838 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -116.04 123.79 48.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 74.299999999999997 110.861 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -125.2 132.07 53.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 72.540000000000006 110.874 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 9.5 tttp -128.97 122.28 29.79 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 62.329999999999998 110.895 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.758 ' HB2' HD13 ' C' ' 17' ' ' LEU . 4.3 mm? -116.75 102.12 9.15 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.225 -0.443 . . . . 65.219999999999999 110.933 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' B' ' 21' ' ' ALA . 18.2 t -102.66 108.86 25.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 73.040000000000006 111.135 179.859 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.587 ' HE1' HD12 ' B' ' 17' ' ' LEU . 9.8 m-30 -102.79 108.85 20.22 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.188 -0.46 . . . . 73.409999999999997 110.849 -179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.424 ' CD2' HG22 ' B' ' 31' ' ' ILE . 8.5 m-30 56.01 90.26 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 63.130000000000003 110.889 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.481 ' HB2' ' CG1' ' B' ' 18' ' ' VAL . . . -117.72 148.15 42.28 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 70.530000000000001 111.093 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 53.06 82.89 0.07 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 71.25 110.882 179.992 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.613 HG11 ' OD1' ' B' ' 27' ' ' ASN . 6.3 p -133.41 127.4 53.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 75.530000000000001 111.119 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.9 -45.05 87.33 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.763 -0.732 . . . . 32.229999999999997 112.511 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 34.2 m -164.07 135.54 4.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.887 0.375 . . . . 65.400000000000006 110.867 -179.774 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.613 ' OD1' HG11 ' B' ' 24' ' ' VAL . 11.6 m120 -107.57 103.55 12.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.086 -0.506 . . . . 62.039999999999999 110.899 -179.977 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 tptp -114.08 155.66 25.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 63.32 110.921 179.899 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.38 -139.03 26.07 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.739 -0.743 . . . . 64.450000000000003 112.498 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.576 ' HB2' ' CE2' ' G' ' 4' ' ' PHE . . . -88.55 114.04 24.75 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-O 120.76 0.314 . . . . 52.340000000000003 111.109 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.424 HG22 ' CD2' ' B' ' 20' ' ' PHE . 0.7 OUTLIER -111.3 108.21 24.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.439 . . . . 72.409999999999997 111.147 179.978 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 5.4 mt -131.14 109.42 16.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.168 -0.469 . . . . 71.420000000000002 111.157 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.58 -49.85 20.24 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.759 -0.734 . . . . 55.049999999999997 112.513 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.826 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -156.2 151.87 27.13 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.84 0.352 . . . . 61.520000000000003 110.902 -179.943 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -124.07 119.84 30.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 74.319999999999993 110.906 179.825 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.439 HG21 HG11 ' G' ' 36' ' ' VAL . 86.3 t -127.55 112.12 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.245 -0.434 . . . . 52.450000000000003 111.143 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . 0.635 ' O ' HD21 ' G' ' 17' ' ' LEU . . . 59.53 17.86 42.17 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.727 -0.749 . . . . 62.32 112.524 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.35 154.68 22.54 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.798 -0.715 . . . . 70.129999999999995 112.523 -179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.633 HG12 ' H ' ' A' ' 39' ' ' VAL . 11.4 m -126.83 -176.45 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.886 0.374 . . . . 74.200000000000003 111.105 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.139 -0.482 . . . . 74.120000000000005 111.161 179.892 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.853 0.359 . . . . 72.409999999999997 110.901 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.32 98.67 1.09 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.163 -0.471 . . . . 74.140000000000001 111.088 179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 37.8 mp0 -52.41 -28.32 19.39 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.228 -0.442 . . . . 73.409999999999997 110.922 -179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . 0.588 ' CE2' ' HB2' ' H' ' 30' ' ' ALA . 2.4 m-85 -151.54 112.21 4.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.119 -0.491 . . . . 63.130000000000003 110.868 -179.954 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -132.94 108.35 8.86 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.133 -0.485 . . . . 75.140000000000001 110.833 -179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -116.04 127.36 54.83 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 75.200000000000003 110.892 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -131.81 102.27 5.8 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 53.119999999999997 110.887 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' B' ' 8' ' ' SER . 89.3 p -154.3 127.28 8.28 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.47 . . . . 73.450000000000003 110.879 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.12 -25.99 11.66 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.735 -0.745 . . . . 72.420000000000002 112.489 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.37 112.9 5.01 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.856 0.36 . . . . 75.129999999999995 110.928 -179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -109.9 119.7 40.16 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.122 -0.49 . . . . 73.450000000000003 110.873 179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 33.2 t -133.46 121.31 41.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.136 -0.484 . . . . 71.230000000000004 111.103 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -121.62 112.76 18.85 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.167 -0.47 . . . . 75.120000000000005 110.836 179.958 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -115.6 123.03 47.39 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.192 -0.458 . . . . 72.25 110.84 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 22.0 mm100 -124.13 131.54 53.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 72.540000000000006 110.936 -179.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -127.79 123.21 34.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 71.219999999999999 110.861 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.762 ' HB2' HD13 ' D' ' 17' ' ' LEU . 4.3 mm? -119.79 100.81 7.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 65.530000000000001 110.927 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.484 ' CG1' ' HB2' ' C' ' 21' ' ' ALA . 17.6 t -101.78 109.31 25.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.454 . . . . 74.109999999999999 111.139 179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.569 ' HE1' HD12 ' C' ' 17' ' ' LEU . 8.4 m-30 -102.77 106.77 17.44 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.151 -0.477 . . . . 60.140000000000001 110.886 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.435 ' CD2' HG22 ' C' ' 31' ' ' ILE . 8.7 m-30 56.81 90.77 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.478 . . . . 74.439999999999998 110.855 -179.892 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.484 ' HB2' ' CG1' ' C' ' 18' ' ' VAL . . . -118.31 148.04 42.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.111 -0.495 . . . . 73.209999999999994 111.051 179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 52.8 82.81 0.07 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.198 -0.455 . . . . 74.420000000000002 110.835 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.605 HG11 ' OD1' ' C' ' 27' ' ' ASN . 6.2 p -133.39 126.33 52.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.253 -0.43 . . . . 73.209999999999994 111.101 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.19 -44.79 84.03 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.745 -0.741 . . . . 73.420000000000002 112.469 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 33.8 m -164.05 135.84 4.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.826 0.346 . . . . 71.209999999999994 110.866 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.605 ' OD1' HG11 ' C' ' 24' ' ' VAL . 11.5 m120 -107.51 103.85 13.26 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.104 -0.498 . . . . 74.510000000000005 110.887 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 tptp -114.51 155.76 25.84 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.47 . . . . 52.219999999999999 110.904 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.43 -139.1 26.13 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.755 -0.736 . . . . 60.210000000000001 112.471 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.575 ' HB2' ' CZ ' ' H' ' 4' ' ' PHE . . . -88.34 113.8 24.31 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.725 0.298 . . . . 62.229999999999997 111.144 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.435 HG22 ' CD2' ' C' ' 20' ' ' PHE . 0.7 OUTLIER -110.98 107.87 24.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 74.400000000000006 111.157 -179.997 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -130.62 109.94 17.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.209 -0.45 . . . . 63.450000000000003 111.087 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.49 -50.21 18.92 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.765 -0.731 . . . . 64.109999999999999 112.452 179.905 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.823 ' N ' HD13 ' C' ' 34' ' ' LEU . 0.0 OUTLIER -154.88 151.95 29.19 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.842 0.353 . . . . 74.230000000000004 110.884 -179.913 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -124.83 118.49 26.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.158 -0.474 . . . . 64.409999999999997 110.85 179.893 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.417 HG21 HG11 ' H' ' 36' ' ' VAL . 85.8 t -129.41 111.5 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.23 -0.441 . . . . 71.540000000000006 111.142 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . 0.632 ' O ' HD21 ' H' ' 17' ' ' LEU . . . 58.18 18.59 35.54 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.744 -0.741 . . . . 73.540000000000006 112.483 179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.4 154.42 22.44 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.752 -0.737 . . . . 71.25 112.506 -179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.58 HG12 ' H ' ' B' ' 39' ' ' VAL . 10.8 m -129.87 -175.81 1.5 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.887 0.375 . . . . 72.349999999999994 111.109 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . . . . . . . . . 18.7 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.151 -0.477 . . . . 72.439999999999998 111.103 179.89 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.861 0.363 . . . . 62.100000000000001 110.891 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.65 98.5 1.18 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.176 -0.466 . . . . 62.109999999999999 111.067 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 38.9 mp0 -52.79 -28.26 21.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.202 -0.453 . . . . 62.539999999999999 110.898 -179.934 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . 0.572 ' CE2' ' HB2' ' I' ' 30' ' ' ALA . 2.5 m-85 -150.87 112.06 4.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 74.25 110.861 -179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.95 108.05 9.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.085 -0.507 . . . . 74.430000000000007 110.842 -179.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -117.11 125.52 51.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 52.329999999999998 110.84 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -129.64 102.22 6.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 64.519999999999996 110.88 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . 0.402 ' HA ' ' O ' ' C' ' 8' ' ' SER . 90.2 p -154.61 127.38 8.12 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 72.140000000000001 110.867 -179.758 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.99 -25.66 17.42 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.747 -0.739 . . . . 74.409999999999997 112.486 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.26 113.71 5.28 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.833 0.349 . . . . 73.420000000000002 110.961 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -109.37 120.04 41.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.153 -0.476 . . . . 73.420000000000002 110.863 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 31.8 t -132.79 121.43 44.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.103 -0.499 . . . . 71.329999999999998 111.109 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -122.1 112.49 18.29 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 74.340000000000003 110.868 179.955 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 9.5 m-70 -115.2 124.39 51.29 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.225 -0.443 . . . . 72.129999999999995 110.861 -179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 24.0 mm100 -125.16 131.28 53.25 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.451 . . . . 75.439999999999998 110.914 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 9.8 tttp -126.3 122.25 34.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 75.540000000000006 110.878 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.762 HD13 ' HB2' ' C' ' 17' ' ' LEU . 4.2 mm? -121.49 100.72 7.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.202 -0.454 . . . . 74.209999999999994 110.937 179.909 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.511 ' CG1' ' HB2' ' D' ' 21' ' ' ALA . 21.1 t -102.23 109.7 27.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 71.239999999999995 111.163 179.833 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.578 ' HE1' HD12 ' D' ' 17' ' ' LEU . 7.8 m-30 -101.96 105.07 15.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.197 -0.456 . . . . 74.450000000000003 110.863 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.435 ' CD2' HG22 ' D' ' 31' ' ' ILE . 8.6 m-30 57.09 90.21 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 74.040000000000006 110.887 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . 0.511 ' HB2' ' CG1' ' D' ' 18' ' ' VAL . . . -118.24 147.95 42.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.179 -0.464 . . . . 43.439999999999998 111.107 179.928 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 53.17 82.64 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.45 . . . . 53.030000000000001 110.865 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.592 HG11 ' OD1' ' D' ' 27' ' ' ASN . 6.2 p -133.57 126.13 51.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 52.32 111.155 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.28 -44.29 84.45 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.677 -0.773 . . . . 72.230000000000004 112.532 179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 34.7 m -164.21 135.73 4.57 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.884 0.374 . . . . 70.109999999999999 110.912 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.592 ' OD1' HG11 ' D' ' 24' ' ' VAL . 11.0 m120 -107.07 103.29 12.66 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 72.430000000000007 110.887 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 2.7 tptp -114.26 156.47 24.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 63.140000000000001 110.861 179.938 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 73.13 -138.43 25.42 Favored Glycine 0 N--CA 1.451 -0.364 0 C-N-CA 120.731 -0.747 . . . . 51.140000000000001 112.52 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.585 ' HB2' ' CZ ' ' I' ' 4' ' ' PHE . . . -89.13 113.96 25.19 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.814 0.34 . . . . 74.219999999999999 111.092 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.435 HG22 ' CD2' ' D' ' 20' ' ' PHE . 0.7 OUTLIER -110.61 107.91 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 62.520000000000003 111.145 -179.989 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 5.0 mt -130.32 110.35 18.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.153 -0.476 . . . . 72.349999999999994 111.119 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . 0.469 ' C ' HD13 ' D' ' 34' ' ' LEU . . . -47.76 -51.54 17.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 44.399999999999999 112.464 179.907 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.818 ' N ' HD13 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -152.81 150.76 29.69 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.759 0.314 . . . . 75.239999999999995 110.967 -179.883 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -124.97 117.57 24.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 74.450000000000003 110.87 179.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 93.3 t -132.68 111.09 16.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.26 -0.427 . . . . 75.219999999999999 111.181 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . 0.663 ' O ' HD21 ' I' ' 17' ' ' LEU . . . 59.67 17.36 41.34 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.722 -0.752 . . . . 64.420000000000002 112.447 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.84 156.81 23.03 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.735 -0.745 . . . . 74.329999999999998 112.488 -179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.575 HG12 ' H ' ' C' ' 39' ' ' VAL . 5.7 m -131.51 -176.01 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.886 0.375 . . . . 73.329999999999998 111.161 -180.0 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 18.0 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.137 -0.483 . . . . 75.319999999999993 111.122 179.912 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.797 0.332 . . . . 61.140000000000001 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.51 98.47 1.13 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 70.019999999999996 111.063 -179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 39.3 mp0 -52.83 -28.24 21.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.206 -0.452 . . . . 73.150000000000006 110.869 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . 0.57 ' CZ ' ' HB2' ' J' ' 30' ' ' ALA . 2.5 m-85 -150.46 113.84 4.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 61.219999999999999 110.888 -179.898 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.05 107.55 9.42 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.122 -0.49 . . . . 73.439999999999998 110.841 -179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -118.16 123.83 46.5 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.187 -0.46 . . . . 70.120000000000005 110.889 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -127.35 101.34 6.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 63.409999999999997 110.882 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 90.3 p -155.51 128.1 7.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.207 -0.451 . . . . 73.230000000000004 110.895 -179.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.78 -23.45 37.34 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.71 -0.757 . . . . 74.409999999999997 112.485 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.87 113.24 5.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.824 0.345 . . . . 73.219999999999999 110.884 -179.818 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -109.41 120.22 41.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.125 -0.489 . . . . 70.530000000000001 110.874 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 34.5 t -132.54 122.52 47.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.112 -0.495 . . . . 75.030000000000001 111.131 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 9.2 m170 -122.32 112.82 18.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 71.340000000000003 110.856 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -113.33 127.7 56.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 63.109999999999999 110.845 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 26.4 mm100 -128.56 132.68 48.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.455 . . . . 75.140000000000001 110.923 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . . . . . . . . . 10.2 tttp -127.62 120.44 28.13 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 74.040000000000006 110.905 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.76 HD13 ' HB2' ' D' ' 17' ' ' LEU . 4.1 mm? -122.69 100.97 7.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.226 -0.443 . . . . 75.540000000000006 110.887 179.979 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.502 ' CG1' ' HB2' ' E' ' 21' ' ' ALA . 17.2 t -100.93 111.52 30.86 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.193 -0.458 . . . . 44.140000000000001 111.099 179.853 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.508 ' HE1' HD12 ' E' ' 17' ' ' LEU . 8.9 m-30 -102.13 100.71 10.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 75.129999999999995 110.889 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.431 ' CD2' HG22 ' E' ' 31' ' ' ILE . 8.8 m-30 57.66 90.37 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.122 -0.49 . . . . 71.420000000000002 110.865 -179.929 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . 0.502 ' HB2' ' CG1' ' E' ' 18' ' ' VAL . . . -118.16 149.97 40.16 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.103 -0.499 . . . . 51.420000000000002 111.105 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 51.57 82.02 0.07 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.254 -0.43 . . . . 75.549999999999997 110.892 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.596 HG11 ' OD1' ' E' ' 27' ' ' ASN . 7.0 p -132.92 124.92 51.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 75.349999999999994 111.166 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.22 -44.29 84.15 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.776 -0.726 . . . . 64.0 112.449 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 30.6 m -163.89 134.48 4.37 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.873 0.368 . . . . 65.329999999999998 110.819 -179.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.596 ' OD1' HG11 ' E' ' 24' ' ' VAL . 10.1 m120 -105.58 102.95 12.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 74.310000000000002 110.897 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 tptp -114.2 157.57 22.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 74.129999999999995 110.889 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.52 -138.49 26.26 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.733 -0.746 . . . . 44.240000000000002 112.473 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.592 ' HB2' ' CZ ' ' J' ' 4' ' ' PHE . . . -89.51 113.76 25.2 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.765 0.317 . . . . 75.209999999999994 111.104 179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.431 HG22 ' CD2' ' E' ' 20' ' ' PHE . 0.8 OUTLIER -109.05 107.31 22.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 64.150000000000006 111.188 179.966 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 mt -127.59 109.87 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 64.030000000000001 111.119 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . 0.567 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -48.76 -49.33 28.37 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.759 -0.734 . . . . 71.109999999999999 112.519 179.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.774 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -153.11 151.0 29.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.841 0.353 . . . . 75.409999999999997 110.903 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -128.94 117.7 21.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.183 -0.462 . . . . 64.040000000000006 110.936 179.797 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 94.4 t -135.74 110.5 11.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.257 -0.429 . . . . 63.210000000000001 111.13 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . 0.673 ' O ' HD21 ' J' ' 17' ' ' LEU . . . 58.17 18.16 33.72 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.674 -0.774 . . . . 70.299999999999997 112.52 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.14 159.75 24.44 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.752 -0.737 . . . . 74.450000000000003 112.533 -179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.562 HG12 ' O ' ' D' ' 39' ' ' VAL . 12.4 m -130.46 -175.66 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.823 0.344 . . . . 55.140000000000001 111.113 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 19.2 m . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.164 -0.471 . . . . 74.409999999999997 111.105 179.936 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.781 0.324 . . . . 75.329999999999998 110.861 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.2 97.76 0.95 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 70.5 111.112 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 39.7 mp0 -52.51 -29.89 27.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.24 -0.436 . . . . 72.439999999999998 110.865 -179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . 0.567 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 2.3 m-85 -151.73 113.2 4.36 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.187 -0.46 . . . . 73.310000000000002 110.881 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -137.57 108.52 6.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.463 . . . . 74.049999999999997 110.907 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -114.47 128.68 56.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 64.219999999999999 110.814 -179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -132.86 101.79 5.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 74.530000000000001 110.886 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' G' ' 8' ' ' SER . 91.0 p -152.68 128.15 9.98 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.443 . . . . 34.100000000000001 110.862 -179.745 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.5 -27.26 11.56 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.714 -0.755 . . . . 53.240000000000002 112.517 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.29 114.83 5.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.877 0.37 . . . . 53.219999999999999 110.907 -179.812 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 4.7 tp10 -113.66 119.65 38.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.132 -0.485 . . . . 72.450000000000003 110.921 179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 31.0 t -133.73 120.7 37.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 71.450000000000003 111.099 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 9.8 m170 -121.2 112.62 18.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 73.109999999999999 110.87 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -121.15 122.09 39.24 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.253 -0.43 . . . . 72.340000000000003 110.887 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 24.1 mm100 -125.85 134.54 51.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 75.219999999999999 110.947 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 9.2 tttp -131.62 122.38 25.91 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 75.299999999999997 110.898 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.761 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.2 mm? -115.17 106.3 13.91 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.223 -0.444 . . . . 75.140000000000001 110.905 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' F' ' 21' ' ' ALA . 19.0 t -105.26 109.89 29.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.44 . . . . 74.409999999999997 111.103 179.84 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.448 ' HE1' HD12 ' F' ' 17' ' ' LEU . 11.7 m-30 -102.67 110.92 23.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 65.219999999999999 110.839 -179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 7.5 m-30 54.89 90.99 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 75.25 110.938 -179.914 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . 0.476 ' HB2' ' CG1' ' F' ' 18' ' ' VAL . . . -118.51 147.84 43.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.134 -0.485 . . . . 75.239999999999995 111.094 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 53.12 82.45 0.08 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 71.120000000000005 110.863 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.567 HG11 ' OD1' ' F' ' 27' ' ' ASN . 7.0 p -132.57 127.69 56.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.153 -0.476 . . . . 51.109999999999999 111.141 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.93 -46.94 67.63 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.671 -0.776 . . . . 74.439999999999998 112.546 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 34.0 m -164.0 134.7 4.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.89 0.376 . . . . 74.439999999999998 110.872 -179.794 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . 0.567 ' OD1' HG11 ' F' ' 24' ' ' VAL . 13.2 m120 -104.82 104.01 13.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.12 -0.491 . . . . 75.430000000000007 110.842 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 4.2 tptp -113.25 155.0 25.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 70.439999999999998 110.935 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.7 -140.4 29.04 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.726 -0.75 . . . . 71.239999999999995 112.458 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.56 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . . . -87.91 113.97 24.07 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.779 0.324 . . . . 43.200000000000003 111.067 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.428 HD13 ' C ' ' F' ' 30' ' ' ALA . 0.6 OUTLIER -110.8 109.26 27.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 73.420000000000002 111.137 179.951 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 6.1 mt -132.31 108.58 13.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.152 -0.476 . . . . 74.200000000000003 111.122 179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.89 -49.8 16.54 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.688 -0.767 . . . . 54.140000000000001 112.468 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.824 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -158.51 153.57 25.33 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.798 0.332 . . . . 72.120000000000005 110.965 -179.97 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -125.74 121.27 32.93 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 73.319999999999993 110.839 179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.41 HG21 HG11 ' A' ' 36' ' ' VAL . 87.8 t -124.53 111.74 29.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.245 -0.434 . . . . 70.400000000000006 111.076 179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . 0.735 ' O ' HD21 ' A' ' 17' ' ' LEU . . . 61.16 15.9 46.22 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.729 -0.748 . . . . 75.5 112.48 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -137.87 153.45 22.21 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.79 -0.719 . . . . 21.120000000000001 112.489 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.625 ' H ' HG12 ' G' ' 39' ' ' VAL . 15.5 m -128.87 -174.58 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.836 0.35 . . . . 73.200000000000003 111.108 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . . . . . . . . . 18.5 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 72.200000000000003 111.142 179.918 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.79 0.329 . . . . 73.420000000000002 110.852 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.37 97.98 1.03 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.259 -0.428 . . . . 73.430000000000007 111.106 179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 39.5 mp0 -52.56 -30.19 29.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.241 -0.436 . . . . 64.25 110.846 -179.862 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 4' ' ' PHE . . . . . 0.576 ' CE2' ' HB2' ' B' ' 30' ' ' ALA . 2.6 m-85 -152.15 112.96 4.18 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 72.140000000000001 110.886 -179.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -134.45 108.7 8.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 64.349999999999994 110.86 -179.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -114.48 128.32 56.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 74.409999999999997 110.851 179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -132.91 102.53 5.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 63.409999999999997 110.855 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' H' ' 8' ' ' SER . 89.8 p -154.68 127.37 8.06 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.215 -0.448 . . . . 62.539999999999999 110.861 -179.724 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.76 -26.63 11.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.711 -0.757 . . . . 73.530000000000001 112.481 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.09 112.86 5.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.813 0.339 . . . . 74.040000000000006 110.959 -179.789 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -110.71 119.62 39.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.161 -0.472 . . . . 75.230000000000004 110.894 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 31.6 t -133.58 121.2 40.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 74.150000000000006 111.101 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -121.43 113.17 19.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 75.010000000000005 110.868 179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -116.66 123.01 46.22 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.439 . . . . 72.409999999999997 110.904 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 21.9 mm100 -124.64 131.87 53.45 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.252 -0.431 . . . . 75.329999999999998 110.942 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -129.48 122.75 29.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.259 -0.428 . . . . 75.239999999999995 110.911 179.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.79 ' HB2' HD13 ' H' ' 17' ' ' LEU . 4.3 mm? -117.67 101.87 8.69 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 72.519999999999996 110.896 179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.471 ' CG1' ' HB2' ' G' ' 21' ' ' ALA . 18.0 t -102.16 108.84 24.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.164 -0.471 . . . . 73.010000000000005 111.144 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.584 ' HE1' HD12 ' G' ' 17' ' ' LEU . 9.7 m-30 -102.74 108.52 19.79 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.18 -0.464 . . . . 73.510000000000005 110.939 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 0.407 ' CD2' HG22 ' G' ' 31' ' ' ILE . 8.3 m-30 56.5 90.7 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.153 -0.476 . . . . 74.299999999999997 110.886 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . 0.471 ' HB2' ' CG1' ' G' ' 18' ' ' VAL . . . -118.29 148.65 42.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 53.009999999999998 111.063 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 53.01 82.81 0.07 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.214 -0.448 . . . . 75.430000000000007 110.831 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.585 HG11 ' OD1' ' G' ' 27' ' ' ASN . 6.5 p -133.61 126.85 52.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 71.230000000000004 111.178 179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.73 -44.76 91.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.748 -0.739 . . . . 62.219999999999999 112.492 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 34.9 m -163.18 134.94 5.05 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.882 0.372 . . . . 75.219999999999999 110.868 -179.765 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . 0.585 ' OD1' HG11 ' G' ' 24' ' ' VAL . 11.0 m120 -106.52 103.46 12.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 74.140000000000001 110.909 -179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 4.0 tptp -113.46 156.85 22.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 71.430000000000007 110.887 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.24 -140.05 29.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.705 -0.759 . . . . 61.539999999999999 112.463 179.906 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.583 ' HB2' ' CE2' ' B' ' 4' ' ' PHE . . . -88.43 113.85 24.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.781 0.324 . . . . 63.340000000000003 111.083 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.407 HG22 ' CD2' ' G' ' 20' ' ' PHE . 0.7 OUTLIER -109.41 108.07 24.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.226 -0.443 . . . . 71.439999999999998 111.123 179.952 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 mt -131.0 108.94 15.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 73.510000000000005 111.151 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.42 -49.99 19.03 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.751 -0.737 . . . . 65.219999999999999 112.455 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.818 ' N ' HD13 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -156.69 152.44 27.07 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.784 0.326 . . . . 62.43 110.93 -179.929 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -124.39 119.4 29.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 71.420000000000002 110.846 179.895 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.439 HG11 HG21 ' B' ' 36' ' ' VAL . 86.5 t -126.51 111.72 27.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.249 -0.432 . . . . 74.239999999999995 111.105 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . 0.672 ' O ' HD21 ' B' ' 17' ' ' LEU . . . 58.44 18.36 36.41 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.685 -0.769 . . . . 54.109999999999999 112.492 179.986 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.33 153.5 21.58 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.755 -0.736 . . . . 51.520000000000003 112.479 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.625 HG12 ' H ' ' F' ' 39' ' ' VAL . 11.1 m -127.18 -174.74 1.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.885 0.374 . . . . 72.140000000000001 111.09 -179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . . . . . . . . . 17.9 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.481 . . . . 75.230000000000004 111.143 179.943 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.23 0.065 0 CA-C-O 120.82 0.343 . . . . 60.119999999999997 110.868 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.54 98.14 1.1 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 64.310000000000002 111.083 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 39.8 mp0 -52.47 -29.55 25.34 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 75.209999999999994 110.923 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 4' ' ' PHE . . . . . 0.575 ' CZ ' ' HB2' ' C' ' 30' ' ' ALA . 2.6 m-85 -151.84 112.73 4.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.133 -0.485 . . . . 74.340000000000003 110.828 -179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -133.13 108.44 8.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.478 . . . . 74.129999999999995 110.852 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 4.0 t60 -115.76 126.9 54.64 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 62.229999999999997 110.857 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -131.35 102.63 6.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 74.150000000000006 110.849 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' G' ' 8' ' ' SER . 90.4 p -154.45 127.32 8.2 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 61.100000000000001 110.866 -179.785 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.91 -26.42 11.17 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.757 -0.735 . . . . 74.519999999999996 112.478 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.34 112.57 4.94 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.825 0.345 . . . . 61.520000000000003 110.94 -179.801 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -109.09 119.83 40.71 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 72.340000000000003 110.922 179.971 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 32.0 t -133.51 121.38 41.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.131 -0.486 . . . . 72.439999999999998 111.157 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -121.63 113.17 19.38 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.207 -0.451 . . . . 72.319999999999993 110.867 179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -115.98 123.03 46.99 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 74.25 110.911 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 21.8 mm100 -124.37 131.48 53.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.216 -0.447 . . . . 75.109999999999999 110.927 -179.874 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 9.6 tttp -127.96 122.55 32.66 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.244 -0.435 . . . . 63.310000000000002 110.907 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.79 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.3 mm? -119.52 100.65 7.41 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.186 -0.461 . . . . 73.120000000000005 110.877 179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.476 ' CG1' ' HB2' ' H' ' 21' ' ' ALA . 18.5 t -101.57 109.19 25.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.469 . . . . 64.549999999999997 111.144 179.838 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.573 ' HE1' HD12 ' H' ' 17' ' ' LEU . 8.4 m-30 -102.5 106.57 17.32 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.177 -0.465 . . . . 74.230000000000004 110.889 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . 0.418 ' CD2' HG22 ' H' ' 31' ' ' ILE . 8.5 m-30 57.24 90.76 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.166 -0.47 . . . . 74.329999999999998 110.861 -179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . 0.476 ' HB2' ' CG1' ' H' ' 18' ' ' VAL . . . -118.54 148.24 42.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.172 -0.467 . . . . 63.5 111.096 179.961 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 53.05 82.7 0.07 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.193 -0.458 . . . . 72.239999999999995 110.839 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.576 HG11 ' OD1' ' H' ' 27' ' ' ASN . 6.4 p -133.53 126.0 51.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.194 -0.457 . . . . 71.329999999999998 111.134 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.92 -44.71 87.61 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.718 -0.753 . . . . 62.219999999999999 112.479 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 34.0 m -163.16 135.04 5.11 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.944 0.402 . . . . 63.409999999999997 110.829 -179.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . 0.576 ' OD1' HG11 ' H' ' 24' ' ' VAL . 10.9 m120 -106.17 103.21 12.63 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 73.109999999999999 110.92 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 tptp -113.63 156.93 22.81 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.179 -0.464 . . . . 74.209999999999994 110.901 179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.28 -139.46 28.06 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.696 -0.764 . . . . 62.119999999999997 112.521 179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . 0.588 ' HB2' ' CE2' ' C' ' 4' ' ' PHE . . . -88.76 113.8 24.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.765 0.317 . . . . 74.329999999999998 111.061 -179.991 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.418 HG22 ' CD2' ' H' ' 20' ' ' PHE . 0.7 OUTLIER -109.34 107.9 24.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.245 -0.434 . . . . 72.420000000000002 111.18 179.935 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -130.93 109.64 16.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.468 . . . . 72.349999999999994 111.132 179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . 0.417 ' C ' HD13 ' H' ' 34' ' ' LEU . . . -47.58 -50.59 18.68 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.732 -0.747 . . . . 73.140000000000001 112.46 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.813 ' N ' HD13 ' H' ' 34' ' ' LEU . 0.0 OUTLIER -154.69 151.78 29.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.831 0.348 . . . . 70.439999999999998 110.924 -179.944 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -124.36 118.03 25.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.167 -0.47 . . . . 75.409999999999997 110.86 179.831 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.417 HG11 HG21 ' C' ' 36' ' ' VAL . 86.7 t -129.61 111.33 21.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.178 -0.465 . . . . 53.420000000000002 111.115 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . 0.666 ' O ' HD21 ' C' ' 17' ' ' LEU . . . 59.05 18.11 39.73 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.826 -0.702 . . . . 75.540000000000006 112.457 179.95 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -136.74 153.98 21.94 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.759 -0.734 . . . . 51.329999999999998 112.475 -179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.63 ' H ' HG12 ' I' ' 39' ' ' VAL . 5.3 m -130.49 -174.53 1.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.875 0.369 . . . . 73.209999999999994 111.113 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . . . . . . . . . 18.8 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 74.439999999999998 111.137 179.912 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.869 0.366 . . . . 71.129999999999995 110.866 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.4 98.22 1.07 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.179 -0.464 . . . . 64.519999999999996 111.089 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 40.4 mp0 -52.34 -29.93 26.12 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 65.409999999999997 110.854 -179.9 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 4' ' ' PHE . . . . . 0.585 ' CZ ' ' HB2' ' D' ' 30' ' ' ALA . 2.7 m-85 -150.84 112.68 4.5 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.178 -0.464 . . . . 73.420000000000002 110.899 -179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -131.44 108.52 9.66 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 72.340000000000003 110.882 -179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 4.2 t60 -117.0 125.12 50.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.263 -0.426 . . . . 65.129999999999995 110.834 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -129.37 102.61 6.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.178 -0.464 . . . . 72.420000000000002 110.847 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' H' ' 8' ' ' SER . 89.0 p -154.91 127.19 7.8 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.172 -0.467 . . . . 73.340000000000003 110.853 -179.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.97 -25.7 17.35 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.749 -0.739 . . . . 62.149999999999999 112.486 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -149.08 113.76 5.35 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.873 0.368 . . . . 73.420000000000002 110.881 -179.774 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -109.24 119.84 40.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.116 -0.493 . . . . 75.319999999999993 110.885 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 32.1 t -133.39 120.86 40.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.112 -0.495 . . . . 74.120000000000005 111.105 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 9.3 m170 -121.9 113.15 19.22 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 73.340000000000003 110.875 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 9.4 m-70 -115.27 124.06 50.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.255 -0.43 . . . . 73.25 110.858 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 22.1 mm100 -124.95 131.41 53.43 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.235 -0.439 . . . . 72.420000000000002 110.929 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 9.7 tttp -126.53 122.43 35.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 71.349999999999994 110.875 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.764 HD13 ' HB2' ' H' ' 17' ' ' LEU . 4.2 mm? -121.56 100.61 7.11 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 73.5 110.889 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . 0.507 ' CG1' ' HB2' ' I' ' 21' ' ' ALA . 20.9 t -102.29 109.86 27.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.161 -0.472 . . . . 72.349999999999994 111.113 179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . 0.565 ' HE1' HD12 ' I' ' 17' ' ' LEU . 7.8 m-30 -102.06 104.96 15.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.111 -0.495 . . . . 75.420000000000002 110.878 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . 0.424 ' CD2' HG22 ' I' ' 31' ' ' ILE . 8.5 m-30 57.34 90.56 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.159 -0.473 . . . . 64.099999999999994 110.881 -179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . 0.507 ' HB2' ' CG1' ' I' ' 18' ' ' VAL . . . -118.74 148.84 42.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 43.219999999999999 111.112 179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 2.2 m-20 52.78 82.24 0.08 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.236 -0.438 . . . . 73.409999999999997 110.856 179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.557 HG11 ' OD1' ' I' ' 27' ' ' ASN . 6.3 p -133.41 125.87 51.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 63.039999999999999 111.166 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.98 -44.27 87.89 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.743 -0.741 . . . . 51.439999999999998 112.504 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 34.6 m -163.16 135.3 5.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.852 0.358 . . . . 64.450000000000003 110.872 -179.715 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . 0.557 ' OD1' HG11 ' I' ' 24' ' ' VAL . 10.3 m120 -106.17 102.88 12.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 63.200000000000003 110.91 -179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 3.9 tptp -113.94 157.17 22.77 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 73.430000000000007 110.867 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 72.47 -139.59 28.02 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.707 -0.759 . . . . 72.519999999999996 112.512 179.94 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.572 ' HB2' ' CE2' ' D' ' 4' ' ' PHE . . . -88.78 113.65 24.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.75 0.309 . . . . 74.409999999999997 111.082 179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.424 HG22 ' CD2' ' I' ' 20' ' ' PHE . 0.7 OUTLIER -109.13 107.97 24.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.226 -0.443 . . . . 63.130000000000003 111.157 179.954 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 5.2 mt -130.52 110.09 18.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 72.049999999999997 111.148 179.879 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . 0.484 ' C ' HD13 ' I' ' 34' ' ' LEU . . . -47.66 -51.9 16.3 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.701 -0.761 . . . . 62.329999999999998 112.491 179.932 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.806 ' N ' HD13 ' I' ' 34' ' ' LEU . 0.0 OUTLIER -152.86 150.53 29.42 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.781 0.324 . . . . 63.530000000000001 110.937 -179.922 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 0.4 OUTLIER -124.55 117.74 25.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.195 -0.457 . . . . 73.209999999999994 110.891 179.829 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 92.5 t -132.02 111.14 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.268 -0.424 . . . . 51.539999999999999 111.103 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . 0.675 ' O ' HD21 ' D' ' 17' ' ' LEU . . . 58.71 17.6 35.23 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.726 -0.75 . . . . 71.109999999999999 112.443 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.0 155.72 22.16 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.727 -0.749 . . . . 42.350000000000001 112.467 -179.926 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 0.63 HG12 ' H ' ' H' ' 39' ' ' VAL . 5.3 m -132.35 -174.13 1.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.888 0.375 . . . . 75.5 111.129 -179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . . . . . . . . . 18.5 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 65.530000000000001 111.069 179.943 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.786 0.327 . . . . 75.349999999999994 110.846 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -69.96 98.12 1.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 74.450000000000003 111.05 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 39.4 mp0 -52.0 -29.66 21.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.183 -0.462 . . . . 75.540000000000006 110.916 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 4' ' ' PHE . . . . . 0.592 ' CZ ' ' HB2' ' E' ' 30' ' ' ALA . 2.6 m-85 -150.37 114.31 5.06 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 61.420000000000002 110.867 -179.921 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -130.62 107.96 9.57 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 75.439999999999998 110.88 -179.936 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -117.59 123.81 47.11 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 74.219999999999999 110.86 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -127.55 101.6 6.49 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.207 -0.452 . . . . 73.129999999999995 110.839 179.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 87.7 p -155.8 127.99 7.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.208 -0.451 . . . . 54.439999999999998 110.812 -179.777 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.48 -23.81 36.36 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 70.319999999999993 112.478 -179.989 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 0.3 OUTLIER -148.86 113.55 5.36 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.833 0.349 . . . . 73.219999999999999 110.945 -179.798 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 4.6 tp10 -108.83 119.94 41.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.481 . . . . 73.510000000000005 110.889 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 32.1 t -133.26 120.62 40.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.162 -0.472 . . . . 54.520000000000003 111.13 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 9.4 m170 -122.54 113.24 19.03 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 73.340000000000003 110.842 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 9.3 m-70 -114.1 127.08 55.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.227 -0.442 . . . . 62.329999999999998 110.832 -179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 22.7 mm100 -127.45 132.77 49.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.225 -0.443 . . . . 63.509999999999998 110.946 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 10.4 tttp -126.65 122.35 34.73 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.172 -0.467 . . . . 72.319999999999993 110.867 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.738 HD13 ' HB2' ' I' ' 17' ' ' LEU . 4.1 mm? -123.78 100.7 6.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.188 -0.46 . . . . 64.510000000000005 110.954 179.897 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.503 ' CG1' ' HB2' ' J' ' 21' ' ' ALA . 17.5 t -100.59 111.67 30.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.19 -0.459 . . . . 74.439999999999998 111.1 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.559 ' HE1' HD12 ' J' ' 17' ' ' LEU . 8.7 m-30 -102.33 100.72 10.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 74.109999999999999 110.885 179.994 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . 0.426 ' CD2' HG22 ' J' ' 31' ' ' ILE . 8.6 m-30 57.87 90.4 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 72.219999999999999 110.894 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . 0.503 ' HB2' ' CG1' ' J' ' 18' ' ' VAL . . . -118.35 150.2 39.91 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.127 -0.488 . . . . 64.099999999999994 111.101 179.956 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 51.69 82.13 0.07 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 72.010000000000005 110.904 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.602 HG11 ' OD1' ' J' ' 27' ' ' ASN . 6.8 p -132.95 123.97 49.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.472 . . . . 73.310000000000002 111.122 -179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.29 -43.21 84.37 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.765 -0.731 . . . . 70.420000000000002 112.5 180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 34.2 m -163.91 134.02 4.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.894 0.378 . . . . 75.430000000000007 110.876 -179.799 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . 0.602 ' OD1' HG11 ' J' ' 24' ' ' VAL . 9.7 m120 -105.06 102.26 11.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.134 -0.484 . . . . 74.209999999999994 110.93 179.976 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 4.1 tptp -113.95 158.22 21.41 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.162 -0.472 . . . . 44.240000000000002 110.882 179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.93 -140.15 29.62 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.762 -0.732 . . . . 71.209999999999994 112.498 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 0.57 ' HB2' ' CZ ' ' E' ' 4' ' ' PHE . . . -88.49 113.84 24.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.829 0.347 . . . . 72.239999999999995 111.124 179.964 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.426 HG22 ' CD2' ' J' ' 20' ' ' PHE . 0.7 OUTLIER -108.25 107.77 23.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.153 -0.476 . . . . 74.150000000000006 111.139 179.985 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mt -128.03 109.39 19.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.181 -0.463 . . . . 71.409999999999997 111.115 179.841 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . 0.569 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -48.81 -49.73 27.8 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.789 -0.72 . . . . 64.140000000000001 112.465 179.903 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.776 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -153.21 150.8 29.39 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.82 0.343 . . . . 71.510000000000005 110.928 -179.904 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -128.93 117.4 20.92 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 72.450000000000003 110.888 179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 90.5 t -134.82 110.08 12.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 74.109999999999999 111.143 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . 0.718 ' O ' HD21 ' E' ' 17' ' ' LEU . . . 57.37 18.31 28.68 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 35.299999999999997 112.521 -179.987 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.88 156.68 22.45 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.76 -0.734 . . . . 44.32 112.455 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.605 HG12 ' O ' ' I' ' 39' ' ' VAL . 8.0 m -135.0 -175.26 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 74.129999999999995 111.135 -179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 18.4 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.158 -0.473 . . . . 72.239999999999995 111.143 179.909 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 73.3 m-20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.835 0.35 . . . . 72.120000000000005 110.869 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.77 88.17 5.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 63.240000000000002 111.07 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.2 mm-40 -51.81 -33.25 34.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 75.319999999999993 110.907 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.543 ' CD1' ' HB2' ' F' ' 30' ' ' ALA . 2.1 t80 -168.59 124.27 0.96 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.157 -0.474 . . . . 73.400000000000006 110.867 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 8.0 mmm-85 -128.82 109.14 11.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.143 -0.48 . . . . 75.519999999999996 110.916 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -105.74 111.17 23.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 71.329999999999998 110.861 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -114.12 102.34 10.07 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.232 -0.44 . . . . 72.099999999999994 110.901 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 83.4 p -147.19 174.67 11.39 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 65.439999999999998 110.862 -179.768 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.92 -22.65 5.58 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.7 -0.762 . . . . 50.420000000000002 112.449 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 18.8 m-85 -151.29 101.95 2.88 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.841 0.353 . . . . 75.340000000000003 110.889 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.65 120.01 39.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.083 -0.508 . . . . 71.319999999999993 110.918 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 90.9 t -138.16 113.63 9.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.177 -0.465 . . . . 70.239999999999995 111.174 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -119.49 116.32 25.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.26 -0.427 . . . . 64.109999999999999 110.875 179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 6.3 m-70 -118.77 133.87 55.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.214 -0.448 . . . . 71.030000000000001 110.913 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.91 132.73 54.3 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.223 -0.444 . . . . 62.119999999999997 110.909 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.526 ' C ' HD22 ' A' ' 17' ' ' LEU . 4.5 tttp -131.74 115.23 15.73 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 45.240000000000002 110.891 179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.677 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.5 mm? -124.71 102.23 7.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.239 -0.437 . . . . 71.239999999999995 110.881 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.711 HG12 ' HB2' ' A' ' 21' ' ' ALA . 2.1 t -108.67 111.06 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 60.030000000000001 111.123 179.801 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.452 ' HD2' HD12 ' B' ' 34' ' ' LEU . 6.9 m-85 -103.07 140.41 37.35 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 64.129999999999995 110.943 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.599 ' HE1' HG22 ' A' ' 31' ' ' ILE . 16.7 m-85 61.99 36.61 15.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.159 -0.473 . . . . 73.120000000000005 110.891 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.711 ' HB2' HG12 ' A' ' 18' ' ' VAL . . . -89.48 128.29 35.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.12 -0.491 . . . . 70.219999999999999 111.097 179.931 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.81 76.38 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.198 -0.456 . . . . 72.409999999999997 110.892 179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 5.9 p -138.61 140.31 39.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 64.319999999999993 111.105 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.31 -46.21 94.21 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.733 -0.746 . . . . 61.329999999999998 112.511 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.07 147.58 0.35 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.901 0.382 . . . . 64.200000000000003 110.847 -179.734 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.468 ' HB3' HD13 ' A' ' 31' ' ' ILE . 40.1 m-20 -100.64 104.55 15.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.103 -0.498 . . . . 64.420000000000002 110.914 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tptm -114.15 158.9 20.7 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.133 -0.485 . . . . 75.540000000000006 110.873 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.38 -136.19 35.87 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.757 -0.735 . . . . 71.120000000000005 112.485 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.456 ' HB2' ' CD1' ' F' ' 4' ' ' PHE . . . -91.59 113.05 25.21 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.722 0.296 . . . . 62.130000000000003 111.094 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.599 HG22 ' HE1' ' A' ' 20' ' ' PHE . 0.3 OUTLIER -130.01 127.76 63.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.235 -0.439 . . . . 75.450000000000003 111.114 179.965 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 8.9 mt -133.39 119.42 34.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 73.340000000000003 111.12 179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.56 -56.39 8.41 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 64.420000000000002 112.498 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.847 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -158.44 151.67 22.87 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.812 0.339 . . . . 65.310000000000002 110.939 -179.92 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 7.4 mtp -128.72 124.89 36.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 73.239999999999995 110.871 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.932 HG11 HG11 ' F' ' 36' ' ' VAL . 26.8 t -123.01 111.99 32.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.182 -0.463 . . . . 62.420000000000002 111.148 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.61 28.48 37.73 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.765 -0.731 . . . . 33.43 112.496 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.69 -163.87 26.1 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.745 -0.74 . . . . 62.240000000000002 112.477 -179.938 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.782 HG13 HG23 ' B' ' 39' ' ' VAL . 9.7 p -163.94 146.0 2.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-O 120.88 0.371 . . . . 64.230000000000004 111.103 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.595 HG12 HG22 ' B' ' 40' ' ' VAL . 28.5 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 73.319999999999993 111.151 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.812 0.339 . . . . 64.349999999999994 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.24 89.55 4.91 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.224 -0.443 . . . . 44.210000000000001 111.09 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mm-40 -51.49 -29.79 17.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 71.209999999999994 110.847 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.588 ' CD1' ' HB2' ' G' ' 30' ' ' ALA . 2.0 t80 -166.89 124.66 1.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.172 -0.467 . . . . 74.540000000000006 110.845 -179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 mmm-85 -127.18 108.76 11.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.475 . . . . 74.150000000000006 110.848 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 5.1 t60 -106.73 109.36 21.24 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 73.120000000000005 110.805 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -114.32 101.59 9.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.203 -0.453 . . . . 72.450000000000003 110.866 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 83.5 p -146.31 174.43 11.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.19 -0.459 . . . . 74.310000000000002 110.921 -179.781 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.04 -22.24 5.68 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.747 -0.739 . . . . 62.210000000000001 112.471 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 16.7 m-85 -151.86 101.48 2.76 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 72.340000000000003 110.915 -179.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.56 120.0 38.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.147 -0.479 . . . . 73.439999999999998 110.906 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 89.1 t -136.97 113.77 12.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.164 -0.471 . . . . 64.209999999999994 111.099 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 17.3 m170 -121.39 115.39 22.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 74.540000000000006 110.847 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -119.26 135.7 54.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 63.520000000000003 110.839 -179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.82 132.6 54.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.204 -0.453 . . . . 74.400000000000006 110.881 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.551 ' O ' HD22 ' B' ' 17' ' ' LEU . 4.4 tttp -126.23 115.69 20.13 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 72.219999999999999 110.877 179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.677 HD13 ' HB2' ' A' ' 17' ' ' LEU . 4.5 mm? -126.55 102.27 7.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.18 -0.464 . . . . 62.299999999999997 110.923 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.855 HG12 ' HB2' ' B' ' 21' ' ' ALA . 1.5 t -109.99 113.44 44.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 71.319999999999993 111.101 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.475 ' HD2' HD12 ' C' ' 34' ' ' LEU . 4.6 m-85 -107.6 136.79 46.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.115 -0.493 . . . . 72.439999999999998 110.892 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.685 ' HE1' HG22 ' B' ' 31' ' ' ILE . 19.6 m-85 61.07 36.36 18.41 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.179 -0.464 . . . . 62.229999999999997 110.891 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.855 ' HB2' HG12 ' B' ' 18' ' ' VAL . . . -89.51 126.47 35.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.103 -0.498 . . . . 71.230000000000004 111.08 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.47 78.87 0.28 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.465 . . . . 61.420000000000002 110.899 -179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.406 HG22 ' H ' ' B' ' 26' ' ' SER . 6.0 p -139.59 140.19 37.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.161 -0.472 . . . . 65.409999999999997 111.113 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.85 -45.68 94.65 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.762 -0.732 . . . . 64.129999999999995 112.524 179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.406 ' H ' HG22 ' B' ' 24' ' ' VAL . 0.4 OUTLIER -179.91 146.3 0.24 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.929 0.395 . . . . 62.229999999999997 110.826 -179.749 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.521 ' OD1' HG21 ' B' ' 31' ' ' ILE . 59.3 m-20 -100.55 105.06 16.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.136 -0.484 . . . . 74.109999999999999 110.886 -179.957 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptm -114.61 160.0 19.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.463 . . . . 44.43 110.899 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.76 -134.44 35.09 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.754 -0.736 . . . . 43.409999999999997 112.503 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.497 ' HB2' ' CD1' ' G' ' 4' ' ' PHE . . . -91.06 112.83 24.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.776 0.322 . . . . 62.530000000000001 111.093 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.685 HG22 ' HE1' ' B' ' 20' ' ' PHE . 0.5 OUTLIER -128.28 124.2 61.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 50.549999999999997 111.125 179.967 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 8.0 mt -131.74 119.27 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 63.039999999999999 111.146 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.1 -56.97 10.74 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.798 -0.715 . . . . 73.140000000000001 112.486 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.856 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -155.38 151.16 27.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.805 0.336 . . . . 54.210000000000001 110.922 -179.924 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 7.6 mtp -129.23 122.78 30.4 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 71.109999999999999 110.89 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.994 HG11 HG11 ' G' ' 36' ' ' VAL . 39.0 t -122.97 111.88 31.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.267 -0.424 . . . . 74.230000000000004 111.143 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.15 30.0 22.93 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.706 -0.759 . . . . 73.150000000000006 112.507 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.43 -163.84 27.33 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.733 -0.746 . . . . 52.119999999999997 112.507 -179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.782 HG23 HG13 ' A' ' 39' ' ' VAL . 9.0 p -163.17 145.59 2.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-O 120.871 0.367 . . . . 63.340000000000003 111.133 -179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.599 HG12 HG22 ' C' ' 40' ' ' VAL . 27.4 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.174 -0.466 . . . . 73.109999999999999 111.111 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.845 0.355 . . . . 74.140000000000001 110.819 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -79.84 88.66 5.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.459 . . . . 50.009999999999998 111.103 179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -52.82 -30.52 33.86 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 73.349999999999994 110.922 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . 0.594 ' CD1' ' HB2' ' H' ' 30' ' ' ALA . 2.0 t80 -167.99 123.79 1.03 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.164 -0.471 . . . . 74.109999999999999 110.882 -179.963 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -126.72 108.59 11.21 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 73.450000000000003 110.863 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -106.31 109.2 21.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.124 -0.489 . . . . 74.019999999999996 110.862 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -114.83 101.47 9.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 71.109999999999999 110.893 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 83.4 p -145.48 174.63 10.98 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.197 -0.456 . . . . 55.200000000000003 110.909 -179.797 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -113.16 -22.42 5.58 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.765 -0.731 . . . . 33.509999999999998 112.497 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -151.9 100.66 2.68 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 61.43 110.967 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.93 120.17 39.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 72.099999999999994 110.915 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 90.8 t -136.5 113.85 13.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.124 -0.489 . . . . 75.010000000000005 111.074 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -121.12 114.15 21.03 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.154 -0.475 . . . . 73.140000000000001 110.869 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -118.98 136.6 54.02 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.439 . . . . 64.010000000000005 110.841 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.53 133.28 54.02 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.236 -0.438 . . . . 75.120000000000005 110.907 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.591 ' O ' HD22 ' C' ' 17' ' ' LEU . 4.4 tttp -123.76 115.61 21.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 74.150000000000006 110.904 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.664 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.5 mm? -127.93 102.73 6.89 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.236 -0.438 . . . . 71.239999999999995 110.903 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.851 HG12 ' HB2' ' C' ' 21' ' ' ALA . 1.3 t -111.97 114.46 47.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.154 -0.475 . . . . 55.210000000000001 111.088 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.479 ' HD2' HD12 ' D' ' 34' ' ' LEU . 2.9 m-85 -107.94 136.37 47.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 73.140000000000001 110.885 -180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.661 ' HE1' HG22 ' C' ' 31' ' ' ILE . 20.2 m-85 59.9 36.95 21.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 64.010000000000005 110.891 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.851 ' HB2' HG12 ' C' ' 18' ' ' VAL . . . -89.72 127.57 35.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.136 -0.484 . . . . 70.019999999999996 111.092 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.85 80.06 0.2 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.227 -0.442 . . . . 73.150000000000006 110.883 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 6.4 p -139.01 139.67 39.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.188 -0.46 . . . . 75.519999999999996 111.16 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.24 -46.34 91.78 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 65.219999999999999 112.494 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.69 146.1 0.25 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.913 0.387 . . . . 73.010000000000005 110.849 -179.694 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.487 ' OD1' HG21 ' C' ' 31' ' ' ILE . 51.4 m-20 -100.61 104.08 15.39 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.101 -0.5 . . . . 74.319999999999993 110.9 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -114.54 159.91 19.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 72.400000000000006 110.922 179.886 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.69 -135.55 38.05 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 42.509999999999998 112.427 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.502 ' HB2' ' CD1' ' H' ' 4' ' ' PHE . . . -91.71 112.53 24.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.794 0.331 . . . . 73.030000000000001 111.087 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.661 HG22 ' HE1' ' C' ' 20' ' ' PHE . 0.4 OUTLIER -128.32 124.16 61.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.182 -0.463 . . . . 62.539999999999999 111.108 -179.995 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.479 HG21 ' HG3' ' C' ' 35' ' ' MET . 7.6 mt -130.15 118.92 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.173 -0.467 . . . . 74.239999999999995 111.104 179.858 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.65 -57.23 9.79 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 62.420000000000002 112.496 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.853 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -153.89 149.9 27.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.802 0.334 . . . . 64.230000000000004 110.921 -179.892 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.479 ' HG3' HG21 ' C' ' 32' ' ' ILE . 8.2 mtp -129.14 122.52 30.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 71.129999999999995 110.825 179.836 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 1.024 HG11 HG11 ' H' ' 36' ' ' VAL . 42.0 t -124.38 112.28 31.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.199 -0.455 . . . . 63.340000000000003 111.115 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.09 30.18 16.35 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 72.549999999999997 112.489 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.74 -163.66 28.03 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.696 -0.764 . . . . 63.539999999999999 112.517 -179.946 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.767 HG23 HG13 ' B' ' 39' ' ' VAL . 7.9 p -162.62 144.95 3.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-O 120.844 0.354 . . . . 75.299999999999997 111.176 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.599 HG22 HG12 ' B' ' 40' ' ' VAL . 28.0 m . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.164 -0.471 . . . . 73.340000000000003 111.108 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.796 0.331 . . . . 72.140000000000001 110.879 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.59 88.32 5.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.221 -0.445 . . . . 74.230000000000004 111.095 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -52.82 -32.01 41.96 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 72.409999999999997 110.877 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . 0.613 ' CD1' ' HB2' ' I' ' 30' ' ' ALA . 2.1 t80 -168.01 123.0 0.98 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.188 -0.46 . . . . 73.420000000000002 110.91 -179.918 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -126.34 108.48 11.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.138 -0.483 . . . . 71.420000000000002 110.872 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -106.31 108.8 20.49 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.167 -0.469 . . . . 74.420000000000002 110.866 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -114.66 101.61 9.26 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.223 -0.444 . . . . 74.319999999999993 110.856 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 83.5 p -144.79 174.15 11.23 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.214 -0.448 . . . . 64.319999999999993 110.872 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.85 -22.26 5.74 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 54.340000000000003 112.483 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 17.7 m-85 -152.12 99.63 2.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.853 0.358 . . . . 70.129999999999995 110.897 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -100.19 120.23 39.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.127 -0.488 . . . . 62.420000000000002 110.895 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 89.8 t -136.99 114.29 13.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.16 -0.473 . . . . 70.430000000000007 111.125 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 17.5 m170 -119.99 114.66 22.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.149 -0.478 . . . . 63.340000000000003 110.82 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 6.1 m-70 -118.13 136.93 53.3 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.167 -0.47 . . . . 71.239999999999995 110.853 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -126.03 133.65 51.67 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.185 -0.461 . . . . 71.299999999999997 110.916 -179.919 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.653 ' O ' HD22 ' D' ' 17' ' ' LEU . 4.2 tttp -122.75 115.47 22.09 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 74.439999999999998 110.944 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.653 HD22 ' O ' ' D' ' 16' ' ' LYS . 4.6 mm? -130.04 101.93 6.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.236 -0.438 . . . . 74.400000000000006 110.92 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.82 HG12 ' HB2' ' D' ' 21' ' ' ALA . 0.6 OUTLIER -112.17 117.04 54.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 63.520000000000003 111.118 179.848 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.48 ' HD2' HD12 ' E' ' 34' ' ' LEU . 2.0 m-85 -108.89 136.25 48.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 71.439999999999998 110.901 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.585 ' HE1' HG22 ' D' ' 31' ' ' ILE . 18.7 m-85 58.55 35.76 24.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.445 . . . . 74.030000000000001 110.872 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . 0.82 ' HB2' HG12 ' D' ' 18' ' ' VAL . . . -90.44 127.78 36.31 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 75.129999999999995 111.074 179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.49 79.89 0.2 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 72.319999999999993 110.852 179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.406 HG22 ' H ' ' D' ' 26' ' ' SER . 6.0 p -138.82 139.6 40.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 62.32 111.118 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.82 -46.26 90.38 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.736 -0.745 . . . . 65.349999999999994 112.511 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . 0.406 ' H ' HG22 ' D' ' 24' ' ' VAL . 0.4 OUTLIER 179.99 144.5 0.19 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.86 0.362 . . . . 72.129999999999995 110.89 -179.732 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.45 ' HB3' HD13 ' D' ' 31' ' ' ILE . 54.5 m-20 -99.27 103.39 15.23 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 75.019999999999996 110.855 -179.929 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tptm -114.58 160.2 19.55 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 44.109999999999999 110.89 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.88 -135.97 38.33 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.752 -0.737 . . . . 45.420000000000002 112.463 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.512 ' HB2' ' CD1' ' I' ' 4' ' ' PHE . . . -92.36 112.87 24.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.755 0.312 . . . . 52.420000000000002 111.104 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.585 HG22 ' HE1' ' D' ' 20' ' ' PHE . 0.4 OUTLIER -128.85 125.15 62.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 63.32 111.104 -179.992 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.562 HG21 ' HG3' ' D' ' 35' ' ' MET . 7.6 mt -129.42 118.96 47.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 72.209999999999994 111.119 179.864 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.08 -58.48 8.64 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.73 -0.748 . . . . 44.329999999999998 112.435 179.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.861 HD22 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -152.1 147.49 26.53 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.866 0.365 . . . . 74.329999999999998 110.917 -179.886 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.562 ' HG3' HG21 ' D' ' 32' ' ' ILE . 9.1 mtp -128.84 122.36 30.25 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.183 -0.462 . . . . 73.040000000000006 110.854 179.834 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 1.028 HG11 HG11 ' I' ' 36' ' ' VAL . 40.2 t -126.31 111.91 28.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.249 -0.432 . . . . 73.239999999999995 111.164 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.11 28.97 19.99 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.735 -0.745 . . . . 73.540000000000006 112.505 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.55 -163.83 29.32 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 51.219999999999999 112.506 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.764 HG23 HG13 ' C' ' 39' ' ' VAL . 9.1 p -162.17 145.06 3.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.868 0.366 . . . . 72.25 111.102 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.575 HG22 HG12 ' C' ' 40' ' ' VAL . 28.8 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 71.140000000000001 111.179 179.87 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.851 0.358 . . . . 74.409999999999997 110.919 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -80.02 89.69 5.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.146 -0.479 . . . . 74.530000000000001 111.095 179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 5.2 mm-40 -51.84 -30.54 24.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.146 -0.479 . . . . 73.420000000000002 110.881 -179.91 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . 0.644 ' CD1' ' HB2' ' J' ' 30' ' ' ALA . 2.1 t80 -166.61 125.58 1.47 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 73.239999999999995 110.87 -179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 7.6 mmm-85 -126.14 108.38 11.27 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.122 -0.49 . . . . 75.400000000000006 110.862 -179.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -106.89 109.2 21.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.23 -0.441 . . . . 65.010000000000005 110.819 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -116.38 101.41 8.63 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.219 -0.446 . . . . 72.299999999999997 110.852 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 83.5 p -146.2 171.53 14.8 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 75.430000000000007 110.83 -179.771 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.99 -21.15 6.44 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.752 -0.737 . . . . 70.200000000000003 112.488 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 18.5 m-85 -151.06 98.6 2.59 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.803 0.335 . . . . 74.120000000000005 110.958 -179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -100.23 120.12 39.41 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.132 -0.486 . . . . 60.119999999999997 110.906 -179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 84.0 t -137.4 114.22 12.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.203 -0.453 . . . . 73.25 111.107 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 17.2 m170 -119.24 113.66 21.21 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.126 -0.488 . . . . 70.150000000000006 110.819 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -118.1 135.68 54.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.25 -0.432 . . . . 62.5 110.789 -179.977 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.84 137.91 52.52 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.15 -0.477 . . . . 63.520000000000003 110.908 -179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . 0.674 ' O ' HD22 ' E' ' 17' ' ' LEU . 4.2 tttp -123.93 114.81 20.29 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 75.109999999999999 110.861 179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.674 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.6 mm? -130.54 101.44 5.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.246 -0.434 . . . . 62.25 110.931 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.802 HG12 ' HB2' ' E' ' 21' ' ' ALA . 0.2 OUTLIER -110.89 120.86 62.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 72.219999999999999 111.135 179.876 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.463 ' HE1' HD12 ' E' ' 17' ' ' LEU . 1.7 m-85 -111.53 136.2 51.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.169 -0.469 . . . . 51.530000000000001 110.89 -179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.501 ' HE1' HG22 ' E' ' 31' ' ' ILE . 20.5 m-85 55.27 35.06 24.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 63.25 110.886 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . 0.802 ' HB2' HG12 ' E' ' 18' ' ' VAL . . . -92.01 129.77 37.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.474 . . . . 73.430000000000007 111.098 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 57.19 81.26 0.14 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.46 . . . . 33.43 110.832 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.427 HG22 ' H ' ' E' ' 26' ' ' SER . 5.7 p -139.54 138.43 39.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 62.409999999999997 111.126 179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.28 -45.39 88.53 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 65.219999999999999 112.519 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . 0.427 ' H ' HG22 ' E' ' 24' ' ' VAL . 0.4 OUTLIER -179.92 141.68 0.15 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.875 0.369 . . . . 71.340000000000003 110.832 -179.71 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -98.25 101.16 12.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.178 -0.465 . . . . 72.549999999999997 110.918 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.8 tptm -114.77 161.35 18.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.16 -0.473 . . . . 73.349999999999994 110.91 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.69 -137.53 39.16 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.693 -0.765 . . . . 75.129999999999995 112.484 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.542 ' HB2' ' CE1' ' J' ' 4' ' ' PHE . . . -92.92 113.03 25.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.81 0.338 . . . . 63.439999999999998 111.134 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.501 HG22 ' HE1' ' E' ' 20' ' ' PHE . 0.4 OUTLIER -128.75 125.3 63.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.263 -0.426 . . . . 60.329999999999998 111.132 179.993 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.622 HG21 ' HG3' ' E' ' 35' ' ' MET . 7.6 mt -125.84 118.16 51.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 74.530000000000001 111.131 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . 0.491 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -50.7 -55.6 16.9 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.733 -0.746 . . . . 43.310000000000002 112.443 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.828 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -152.77 150.1 29.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.815 0.34 . . . . 75.040000000000006 110.931 -179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.622 ' HG3' HG21 ' E' ' 32' ' ' ILE . 10.9 mtp -132.13 120.48 22.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 72.430000000000007 110.939 179.816 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.952 HG11 HG11 ' J' ' 36' ' ' VAL . 40.6 t -129.01 110.51 20.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 62.43 111.122 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.24 31.99 20.66 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.72 -0.752 . . . . 54.240000000000002 112.519 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.59 -162.83 25.2 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.716 -0.754 . . . . 44.409999999999997 112.491 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.754 HG23 HG13 ' D' ' 39' ' ' VAL . 12.1 p -161.59 145.79 4.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.902 0.382 . . . . 73.450000000000003 111.111 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.546 ' CG2' HG12 ' D' ' 40' ' ' VAL . 29.8 m . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 74.010000000000005 111.154 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 . . . . . 0 C--O 1.231 0.084 0 CA-C-O 120.863 0.363 . . . . 73.120000000000005 110.872 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.73 88.12 4.61 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.172 -0.467 . . . . 52.329999999999998 111.09 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 4.6 mm-40 -52.21 -33.53 41.55 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 73.239999999999995 110.905 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . 0.456 ' CD1' ' HB2' ' A' ' 30' ' ' ALA . 1.3 t80 -168.49 123.84 0.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.149 -0.478 . . . . 70.349999999999994 110.866 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -128.62 109.24 11.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.128 -0.487 . . . . 72.150000000000006 110.881 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 7.1 t60 -105.09 110.8 23.33 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 62.539999999999999 110.859 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -112.37 102.97 11.07 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.193 -0.458 . . . . 63.219999999999999 110.906 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 83.2 p -146.61 174.44 11.43 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.192 -0.458 . . . . 44.130000000000003 110.88 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.52 -22.97 5.59 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.738 -0.744 . . . . 71.420000000000002 112.473 -179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 18.2 m-85 -151.44 101.39 2.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.864 0.364 . . . . 54.299999999999997 110.903 -179.863 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -99.77 120.08 39.16 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.099 -0.501 . . . . 61.539999999999999 110.912 179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 98.7 t -138.19 113.89 10.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.151 -0.477 . . . . 64.019999999999996 111.139 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 16.6 m170 -119.09 116.56 26.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 74.319999999999993 110.878 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 6.2 m-70 -118.71 134.64 54.98 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.144 -0.48 . . . . 61.350000000000001 110.838 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.07 132.44 54.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 55.200000000000003 110.905 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . 0.544 ' C ' HD22 ' F' ' 17' ' ' LEU . 4.4 tttp -132.32 115.05 15.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 74.219999999999999 110.917 179.99 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.679 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.5 mm? -125.22 102.21 7.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.232 -0.44 . . . . 72.030000000000001 110.932 179.914 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.675 HG12 ' HB2' ' F' ' 21' ' ' ALA . 2.1 t -108.59 111.27 35.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.219 -0.446 . . . . 74.239999999999995 111.081 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.44 ' HD2' HD12 ' G' ' 34' ' ' LEU . 7.0 m-85 -103.01 140.76 36.86 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.124 -0.489 . . . . 75.239999999999995 110.882 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . 0.555 ' HE1' HG22 ' F' ' 31' ' ' ILE . 16.7 m-85 61.57 37.02 16.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 74.409999999999997 110.902 -179.898 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . 0.675 ' HB2' HG12 ' F' ' 18' ' ' VAL . . . -89.48 127.78 35.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 45.240000000000002 111.158 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 63.03 77.28 0.33 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.245 -0.434 . . . . 74.010000000000005 110.91 -179.984 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 5.8 p -139.0 140.68 38.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.195 -0.457 . . . . 74.299999999999997 111.134 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.74 -46.91 93.25 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.755 -0.735 . . . . 50.210000000000001 112.489 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -178.19 146.2 0.39 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.384 . . . . 71.040000000000006 110.84 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . 0.484 ' HB3' HD13 ' F' ' 31' ' ' ILE . 35.2 m-20 -99.35 104.14 16.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.101 -0.5 . . . . 61.119999999999997 110.878 -179.949 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -113.52 159.29 19.71 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.167 -0.469 . . . . 72.340000000000003 110.85 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.23 -138.63 31.31 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.738 -0.744 . . . . 32.420000000000002 112.497 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.543 ' HB2' ' CD1' ' A' ' 4' ' ' PHE . . . -90.49 112.81 24.6 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.774 0.321 . . . . 53.229999999999997 111.052 -179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.555 HG22 ' HE1' ' F' ' 20' ' ' PHE . 0.2 OUTLIER -129.38 129.51 67.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 74.150000000000006 111.155 179.928 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 8.6 mt -134.1 119.22 30.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.172 -0.467 . . . . 74.439999999999998 111.158 179.817 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -46.66 -56.59 7.28 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.728 -0.748 . . . . 71.219999999999999 112.523 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.841 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -158.44 151.62 22.8 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.763 0.316 . . . . 74.530000000000001 110.93 -179.935 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 7.6 mtp -129.09 123.66 32.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.238 -0.437 . . . . 74.349999999999994 110.91 179.826 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.932 HG11 HG11 ' A' ' 36' ' ' VAL . 25.6 t -123.22 113.04 36.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 45.439999999999998 111.134 -179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.94 28.67 40.87 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 72.150000000000006 112.525 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.58 -163.47 25.25 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.764 -0.732 . . . . 52.509999999999998 112.524 -179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.755 HG13 HG23 ' G' ' 39' ' ' VAL . 11.9 p -164.71 146.73 2.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.859 0.361 . . . . 73.439999999999998 111.13 -179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.581 HG12 ' CG2' ' G' ' 40' ' ' VAL . 29.7 m . . . . . 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.47 . . . . 73.5 111.138 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 72.7 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.852 0.358 . . . . 60.240000000000002 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -76.96 89.36 3.52 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 71.439999999999998 111.091 179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -50.99 -30.58 15.49 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 45.530000000000001 110.885 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 4' ' ' PHE . . . . . 0.497 ' CD1' ' HB2' ' B' ' 30' ' ' ALA . 1.4 t80 -167.44 124.85 1.2 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 71.400000000000006 110.92 -179.924 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 8.1 mmm-85 -127.0 108.5 10.99 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.474 . . . . 75.310000000000002 110.863 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -105.97 108.95 20.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 72.239999999999995 110.823 -180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -113.52 101.95 9.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.207 -0.451 . . . . 54.119999999999997 110.881 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 83.4 p -146.13 174.27 11.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.192 -0.458 . . . . 62.119999999999997 110.837 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.92 -22.55 5.62 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.731 -0.747 . . . . 73.319999999999993 112.499 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -151.77 101.25 2.75 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.916 0.389 . . . . 74.530000000000001 110.924 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.86 119.94 38.99 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.085 -0.507 . . . . 72.129999999999995 110.93 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 90.7 t -136.44 113.85 13.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 75.439999999999998 111.127 179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 17.7 m170 -120.85 114.81 22.13 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.222 -0.444 . . . . 65.219999999999999 110.872 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -119.18 135.82 54.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.181 -0.463 . . . . 74.329999999999998 110.874 -179.997 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.83 132.56 54.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 70.019999999999996 110.92 -179.94 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . 0.562 ' O ' HD22 ' G' ' 17' ' ' LEU . 4.5 tttp -126.67 115.68 19.82 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.465 . . . . 74.329999999999998 110.86 179.937 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.679 HD13 ' HB2' ' F' ' 17' ' ' LEU . 4.5 mm? -126.64 102.29 7.02 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.206 -0.452 . . . . 44.539999999999999 110.909 179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.849 HG12 ' HB2' ' G' ' 21' ' ' ALA . 1.5 t -109.78 113.45 44.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.182 -0.463 . . . . 72.109999999999999 111.096 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.475 ' CE1' HD12 ' G' ' 17' ' ' LEU . 4.6 m-85 -107.56 136.86 46.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.171 -0.468 . . . . 74.25 110.899 179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 0.657 ' HE1' HG22 ' G' ' 31' ' ' ILE . 19.5 m-85 60.95 36.36 18.76 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 42.119999999999997 110.865 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . 0.849 ' HB2' HG12 ' G' ' 18' ' ' VAL . . . -89.5 126.77 35.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.126 -0.488 . . . . 73.340000000000003 111.071 179.952 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 62.39 78.79 0.28 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.183 -0.462 . . . . 72.420000000000002 110.922 -179.973 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 p -139.24 140.25 38.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 64.340000000000003 111.152 -179.983 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.37 -45.95 94.66 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.762 -0.732 . . . . 53.399999999999999 112.452 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.1 145.29 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.882 0.372 . . . . 63.439999999999998 110.867 -179.706 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . 0.507 ' OD1' HG21 ' G' ' 31' ' ' ILE . 52.4 m-20 -100.18 104.12 15.63 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.135 -0.484 . . . . 74.030000000000001 110.888 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 2.6 tptm -113.82 160.79 18.34 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.139 -0.482 . . . . 73.140000000000001 110.911 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.45 -136.22 31.84 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.781 -0.723 . . . . 72.430000000000007 112.46 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.588 ' HB2' ' CD1' ' B' ' 4' ' ' PHE . . . -90.03 112.75 24.29 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.79 0.329 . . . . 63.409999999999997 111.094 179.975 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.657 HG22 ' HE1' ' G' ' 20' ' ' PHE . 0.5 OUTLIER -127.36 125.76 66.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.201 -0.454 . . . . 62.420000000000002 111.156 179.984 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.413 HG21 ' HG3' ' G' ' 35' ' ' MET . 9.0 mt -132.56 119.01 37.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.472 . . . . 73.120000000000005 111.097 179.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.15 -57.18 10.46 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.723 -0.751 . . . . 44.32 112.482 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.854 HD22 ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -155.36 151.36 27.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.846 0.355 . . . . 64.409999999999997 110.907 -179.951 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.413 ' HG3' HG21 ' G' ' 32' ' ' ILE . 7.5 mtp -129.55 122.54 29.39 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.169 -0.469 . . . . 74.239999999999995 110.922 179.806 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.994 HG11 HG11 ' B' ' 36' ' ' VAL . 38.4 t -123.58 112.58 33.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 73.209999999999994 111.168 179.97 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.1 29.3 20.79 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.705 -0.76 . . . . 73.230000000000004 112.513 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.24 -164.04 27.54 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.764 -0.731 . . . . 64.010000000000005 112.506 -179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.765 HG13 HG23 ' H' ' 39' ' ' VAL . 8.5 p -163.1 145.57 3.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.874 0.368 . . . . 65.209999999999994 111.149 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.582 HG12 ' CG2' ' H' ' 40' ' ' VAL . 28.8 m . . . . . 0 C--N 1.33 -0.259 0 CA-C-N 116.173 -0.467 . . . . 70.420000000000002 111.138 179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 72.9 m-20 . . . . . 0 N--CA 1.458 -0.067 0 CA-C-O 120.858 0.361 . . . . 71.209999999999994 110.863 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.71 89.35 4.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 71.519999999999996 111.114 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mm-40 -51.55 -31.02 22.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 62.219999999999999 110.872 -179.89 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 4' ' ' PHE . . . . . 0.502 ' CD1' ' HB2' ' C' ' 30' ' ' ALA . 1.3 t80 -168.42 124.66 1.01 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.12 -0.491 . . . . 75.129999999999995 110.871 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmm-85 -127.34 108.38 10.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.133 -0.485 . . . . 64.340000000000003 110.899 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -106.04 108.65 20.27 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.182 -0.463 . . . . 74.430000000000007 110.825 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 4.0 t0 -113.88 101.86 9.67 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 72.329999999999998 110.843 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 83.4 p -145.02 174.32 11.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.149 -0.478 . . . . 55.420000000000002 110.838 -179.749 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.94 -22.23 5.72 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.737 -0.744 . . . . 64.150000000000006 112.504 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 16.3 m-85 -152.16 100.62 2.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 72.219999999999999 110.947 -179.8 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.94 120.11 39.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 74.409999999999997 110.873 -179.958 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 86.7 t -136.15 114.13 14.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.176 -0.466 . . . . 72.439999999999998 111.097 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 18.3 m170 -120.94 114.07 21.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.136 -0.484 . . . . 53.409999999999997 110.865 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 5.8 m-70 -118.84 136.18 54.15 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.194 -0.457 . . . . 74.439999999999998 110.839 -179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.07 132.98 54.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 75.310000000000002 110.903 -179.904 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . 0.6 ' O ' HD22 ' H' ' 17' ' ' LEU . 4.3 tttp -123.87 115.57 21.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.226 -0.443 . . . . 62.119999999999997 110.912 179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.644 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.5 mm? -128.23 101.59 6.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.25 -0.432 . . . . 75.120000000000005 110.94 179.935 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.858 HG12 ' HB2' ' H' ' 21' ' ' ALA . 1.2 t -111.09 114.59 47.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.215 -0.448 . . . . 52.520000000000003 111.141 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.468 ' HD2' HD12 ' I' ' 34' ' ' LEU . 3.0 m-85 -108.22 136.32 48.08 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 75.109999999999999 110.906 179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . 0.644 ' HE1' HG22 ' H' ' 31' ' ' ILE . 20.0 m-85 59.76 36.84 22.23 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.139 -0.482 . . . . 72.109999999999999 110.857 -179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . 0.858 ' HB2' HG12 ' H' ' 18' ' ' VAL . . . -89.54 127.73 35.91 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.463 . . . . 73.200000000000003 111.106 179.93 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.63 80.28 0.19 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 72.400000000000006 110.889 -179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . . . . . . . . . 6.4 p -138.65 139.68 40.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 74.319999999999993 111.152 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.59 -46.36 92.18 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.763 -0.732 . . . . 44.43 112.486 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.39 144.74 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.925 0.393 . . . . 75.310000000000002 110.877 -179.687 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . 0.437 ' OD1' HG21 ' H' ' 31' ' ' ILE . 53.5 m-20 -100.26 103.22 14.65 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.127 -0.488 . . . . 74.430000000000007 110.917 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 2.5 tptm -113.81 160.81 18.31 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.489 . . . . 75.540000000000006 110.935 179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.34 -137.07 34.54 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.725 -0.75 . . . . 44.350000000000001 112.438 179.894 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . 0.594 ' HB2' ' CD1' ' C' ' 4' ' ' PHE . . . -90.68 112.73 24.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.753 0.311 . . . . 51.450000000000003 111.113 -179.994 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.644 HG22 ' HE1' ' H' ' 20' ' ' PHE . 0.4 OUTLIER -128.06 125.64 64.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.284 -0.416 . . . . 74.239999999999995 111.186 179.955 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . 0.464 HG21 ' HG3' ' H' ' 35' ' ' MET . 7.9 mt -130.7 118.64 43.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 60.439999999999998 111.12 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.6 -57.81 9.02 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.737 -0.744 . . . . 74.299999999999997 112.468 179.903 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.856 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -153.58 149.89 28.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.786 0.327 . . . . 73.310000000000002 110.913 -179.888 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . 0.464 ' HG3' HG21 ' H' ' 32' ' ' ILE . 8.3 mtp -129.08 122.02 29.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 74.109999999999999 110.872 179.785 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 1.024 HG11 HG11 ' C' ' 36' ' ' VAL . 40.1 t -123.9 111.57 29.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.186 -0.461 . . . . 53.340000000000003 111.159 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.33 30.29 18.11 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.716 -0.754 . . . . 54.140000000000001 112.464 179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.48 -163.74 28.32 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.675 -0.774 . . . . 54.030000000000001 112.484 -179.887 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.765 HG23 HG13 ' G' ' 39' ' ' VAL . 8.3 p -162.43 145.35 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 75.540000000000006 111.094 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . 0.582 ' CG2' HG12 ' G' ' 40' ' ' VAL . 29.4 m . . . . . 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 73.340000000000003 111.169 179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 72.3 m-20 . . . . . 0 N--CA 1.457 -0.091 0 CA-C-O 120.798 0.332 . . . . 61.530000000000001 110.889 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.0 88.26 4.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.456 . . . . 61.140000000000001 111.061 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -51.5 -31.74 24.87 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 73.299999999999997 110.878 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 4' ' ' PHE . . . . . 0.512 ' CD1' ' HB2' ' D' ' 30' ' ' ALA . 1.3 t80 -168.3 124.19 1.0 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 75.030000000000001 110.875 -179.884 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -127.42 108.11 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 72.310000000000002 110.873 -179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -105.98 108.59 20.18 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 71.030000000000001 110.85 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -114.15 101.92 9.66 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.262 -0.426 . . . . 72.140000000000001 110.859 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 83.7 p -144.34 173.93 11.35 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 43.32 110.851 -179.756 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -112.72 -22.24 5.79 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.706 -0.759 . . . . 70.040000000000006 112.483 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 17.2 m-85 -152.1 99.24 2.52 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.85 0.357 . . . . 72.519999999999996 110.908 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -99.72 120.28 39.47 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 54.32 110.867 179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 86.3 t -137.19 114.29 12.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.16 -0.473 . . . . 63.25 111.107 179.918 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 17.4 m170 -119.9 114.61 22.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.146 -0.479 . . . . 61.399999999999999 110.844 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 5.9 m-70 -117.81 136.81 53.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 62.509999999999998 110.903 179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -125.8 133.37 52.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.224 -0.444 . . . . 75.099999999999994 110.904 -179.948 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . 0.669 ' O ' HD22 ' I' ' 17' ' ' LEU . 4.2 tttp -122.67 115.41 22.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 62.509999999999998 110.899 179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.669 HD22 ' O ' ' I' ' 16' ' ' LYS . 4.6 mm? -130.34 101.02 5.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.248 -0.433 . . . . 70.510000000000005 110.896 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . 0.84 HG12 ' HB2' ' I' ' 21' ' ' ALA . 0.7 OUTLIER -111.89 117.23 54.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 73.150000000000006 111.14 179.825 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . 0.462 ' HD2' HD12 ' J' ' 34' ' ' LEU . 2.0 m-85 -109.23 136.54 48.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 75.519999999999996 110.885 -179.967 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . 0.565 ' HE1' HG22 ' I' ' 31' ' ' ILE . 18.6 m-85 58.46 35.68 24.85 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.142 -0.481 . . . . 74.519999999999996 110.891 -179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . 0.84 ' HB2' HG12 ' I' ' 18' ' ' VAL . . . -90.21 127.47 36.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.133 -0.485 . . . . 65.439999999999998 111.085 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 58.54 81.04 0.16 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.232 -0.44 . . . . 72.230000000000004 110.838 179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 p -138.83 139.23 41.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.18 -0.463 . . . . 40.32 111.161 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.23 -45.72 92.39 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.716 -0.754 . . . . 64.209999999999994 112.443 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.4 OUTLIER -179.4 143.24 0.19 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.905 0.383 . . . . 61.32 110.866 -179.794 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . 0.414 ' HB3' HD13 ' I' ' 31' ' ' ILE . 55.2 m-20 -100.07 101.43 12.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 74.420000000000002 110.866 -179.906 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 2.8 tptm -114.02 161.19 18.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 75.420000000000002 110.921 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.49 -138.07 37.45 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.729 -0.748 . . . . 54.530000000000001 112.512 179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.613 ' HB2' ' CD1' ' D' ' 4' ' ' PHE . . . -91.3 112.89 24.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.733 0.302 . . . . 74.200000000000003 111.126 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.565 HG22 ' HE1' ' I' ' 20' ' ' PHE . 0.4 OUTLIER -128.94 126.44 64.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 74.540000000000006 111.145 179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . 0.539 HG21 ' HG3' ' I' ' 35' ' ' MET . 7.6 mt -129.71 119.06 46.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.152 -0.476 . . . . 72.239999999999995 111.089 179.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.03 -59.12 7.81 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.74 -0.743 . . . . 72.329999999999998 112.525 179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.863 HD22 ' O ' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -151.91 147.61 26.79 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.77 0.319 . . . . 75.200000000000003 110.962 -179.968 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . 0.539 ' HG3' HG21 ' I' ' 32' ' ' ILE . 9.1 mtp -129.05 122.05 29.19 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 74.329999999999998 110.917 179.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 1.028 HG11 HG11 ' D' ' 36' ' ' VAL . 39.6 t -126.13 111.37 26.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.24 -0.437 . . . . 63.109999999999999 111.131 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.33 29.52 23.03 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.732 -0.747 . . . . 63.340000000000003 112.499 -179.987 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.83 -163.46 28.99 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.768 -0.73 . . . . 52.219999999999999 112.53 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 0.763 HG13 HG23 ' J' ' 39' ' ' VAL . 10.5 p -162.15 145.42 3.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.861 0.362 . . . . 54.520000000000003 111.143 -179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . 0.569 HG22 HG12 ' H' ' 40' ' ' VAL . 29.0 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.141 -0.481 . . . . 71.030000000000001 111.129 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 72.6 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.819 0.342 . . . . 63.009999999999998 110.874 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -78.07 88.94 4.19 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.201 -0.454 . . . . 64.049999999999997 111.098 179.994 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 mm-40 -51.53 -32.51 28.16 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.218 -0.447 . . . . 64.239999999999995 110.887 -179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 4' ' ' PHE . . . . . 0.542 ' CE1' ' HB2' ' E' ' 30' ' ' ALA . 1.1 t80 -168.03 125.12 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.483 . . . . 64.349999999999994 110.819 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmm-85 -127.88 108.5 10.75 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.122 -0.49 . . . . 72.329999999999998 110.854 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 6.5 t60 -106.87 108.75 20.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 73.140000000000001 110.858 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 3.9 t0 -115.03 102.07 9.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.208 -0.451 . . . . 72.019999999999996 110.916 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 83.7 p -145.32 170.76 15.68 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.45 . . . . 71.109999999999999 110.888 -179.734 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -111.12 -21.35 6.68 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.705 -0.76 . . . . 75.120000000000005 112.51 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 18.0 m-85 -151.36 97.64 2.44 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.859 0.361 . . . . 62.409999999999997 110.918 -179.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -99.98 119.96 39.07 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.088 -0.506 . . . . 65.540000000000006 110.853 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 87.2 t -137.65 114.29 11.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 75.239999999999995 111.121 179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 16.8 m170 -118.79 113.71 21.53 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.206 -0.452 . . . . 64.239999999999995 110.848 179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 6.0 m-70 -117.99 135.35 54.21 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.235 -0.439 . . . . 63.140000000000001 110.844 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.51 138.13 52.84 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.172 -0.467 . . . . 74.510000000000005 110.883 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . 0.681 ' O ' HD22 ' J' ' 17' ' ' LEU . 4.2 tttp -124.02 114.84 20.28 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.187 -0.46 . . . . 61.32 110.916 179.959 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.681 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.6 mm? -130.37 100.9 5.53 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.201 -0.454 . . . . 74.510000000000005 110.904 179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.758 HG12 ' HB2' ' J' ' 21' ' ' ALA . 0.2 OUTLIER -110.79 121.17 63.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.25 -0.432 . . . . 61.229999999999997 111.121 179.836 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.442 ' HE1' HD12 ' J' ' 17' ' ' LEU . 1.6 m-85 -111.94 136.03 51.8 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.164 -0.471 . . . . 73.219999999999999 110.905 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . 0.478 ' HE1' HG22 ' J' ' 31' ' ' ILE . 20.3 m-85 55.57 35.23 24.75 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.12 -0.491 . . . . 73.209999999999994 110.89 -179.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . 0.758 ' HB2' HG12 ' J' ' 18' ' ' VAL . . . -92.02 129.99 37.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.159 -0.473 . . . . 74.310000000000002 111.072 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 57.21 81.76 0.13 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.252 -0.431 . . . . 73.340000000000003 110.842 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.434 HG22 ' H ' ' J' ' 26' ' ' SER . 5.6 p -139.03 137.63 42.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.195 -0.457 . . . . 62.439999999999998 111.143 179.987 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.89 -44.45 92.36 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.791 -0.718 . . . . 71.049999999999997 112.486 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . 0.434 ' H ' HG22 ' J' ' 24' ' ' VAL . 0.4 OUTLIER -179.2 139.14 0.15 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.883 0.373 . . . . 72.030000000000001 110.885 -179.753 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 57.0 m-20 -98.94 99.36 10.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.095 -0.502 . . . . 70.430000000000007 110.901 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 3.0 tptm -114.86 163.54 15.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.158 -0.474 . . . . 74.409999999999997 110.861 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 54.22 -140.02 36.7 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.786 -0.721 . . . . 72.319999999999993 112.435 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 0.644 ' HB2' ' CD1' ' E' ' 4' ' ' PHE . . . -91.73 112.81 24.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.748 0.309 . . . . 73.030000000000001 111.08 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.478 HG22 ' HE1' ' J' ' 20' ' ' PHE . 0.4 OUTLIER -128.63 127.21 66.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.212 -0.449 . . . . 73.049999999999997 111.114 179.994 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . 0.625 HG21 ' HG3' ' J' ' 35' ' ' MET . 7.9 mt -126.87 117.87 49.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.177 -0.465 . . . . 75.099999999999994 111.153 179.827 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . 0.48 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -50.48 -56.71 12.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.732 -0.747 . . . . 63.210000000000001 112.452 179.938 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.828 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -152.36 149.68 28.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.839 0.352 . . . . 62.399999999999999 110.886 -179.913 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . 0.625 ' HG3' HG21 ' J' ' 32' ' ' ILE . 10.6 mtp -132.55 120.37 21.76 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 73.310000000000002 110.839 179.863 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.952 HG11 HG11 ' E' ' 36' ' ' VAL . 35.2 t -129.35 110.38 20.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.453 . . . . 74.200000000000003 111.175 179.902 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.23 31.21 26.5 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.76 -0.733 . . . . 65.439999999999998 112.502 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.52 -162.9 25.28 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.719 -0.753 . . . . 73.420000000000002 112.474 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.763 HG23 HG13 ' I' ' 39' ' ' VAL . 13.9 p -161.54 147.08 4.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-O 120.842 0.353 . . . . 60.350000000000001 111.168 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.449 HG22 HG12 ' I' ' 40' ' ' VAL . 29.1 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 72.439999999999998 111.114 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.782 0.325 . . . . 72.150000000000006 110.866 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.24 82.89 2.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 75.519999999999996 111.116 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -53.14 -48.17 68.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.187 -0.46 . . . . 64.530000000000001 110.924 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -147.9 115.45 6.32 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.133 -0.485 . . . . 71.109999999999999 110.883 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -133.33 109.01 9.07 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 70.450000000000003 110.872 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 83.3 t60 -104.61 109.96 22.07 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.455 . . . . 72.420000000000002 110.825 179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -111.13 102.24 10.7 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.206 -0.452 . . . . 74.230000000000004 110.9 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.6 t -148.91 174.53 12.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 74.310000000000002 110.821 -179.76 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.42 -7.4 30.27 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.702 -0.761 . . . . 74.230000000000004 112.496 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . 0.434 ' HD1' HG23 ' A' ' 12' ' ' VAL . 1.3 t80 -171.54 112.1 0.33 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.807 0.337 . . . . 73.439999999999998 110.929 -179.805 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 20.4 tt0 -104.84 119.66 39.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.123 -0.49 . . . . 64.519999999999996 110.872 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.434 HG23 ' HD1' ' A' ' 10' ' ' TYR . 62.0 t -133.36 113.57 19.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 61.310000000000002 111.123 179.944 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.1 m170 -120.24 113.76 20.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.163 -0.472 . . . . 64.319999999999993 110.846 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -124.75 133.14 53.27 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 63.310000000000002 110.852 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.05 132.98 55.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 74.140000000000001 110.944 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.566 ' C ' HD22 ' A' ' 17' ' ' LEU . 5.3 tttp -130.04 115.91 17.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.199 -0.455 . . . . 70.510000000000005 110.899 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.729 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.5 mm? -126.71 101.05 6.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 63.009999999999998 110.938 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.1 t -108.88 114.54 47.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.182 -0.463 . . . . 74.25 111.146 179.872 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.64 ' CZ ' HD12 ' A' ' 17' ' ' LEU . 8.5 m-85 -117.75 109.87 17.13 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 73.329999999999998 110.869 -179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 60.38 78.59 0.27 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 72.200000000000003 110.938 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.52 118.55 32.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.136 -0.484 . . . . 74.450000000000003 111.141 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 64.09 107.46 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.248 -0.433 . . . . 74.310000000000002 110.892 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.736 HG11 ' OD1' ' A' ' 27' ' ' ASN . 92.9 t -124.38 126.19 71.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.231 -0.44 . . . . 63.149999999999999 111.12 179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.22 -51.85 56.3 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.748 -0.739 . . . . 54.420000000000002 112.493 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -149.61 121.42 8.13 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.839 0.352 . . . . 73.439999999999998 110.871 -179.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.736 ' OD1' HG11 ' A' ' 24' ' ' VAL . 16.6 m-20 -94.94 101.82 13.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.143 -0.481 . . . . 74.049999999999997 110.853 -179.942 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . 0.597 ' O ' HD11 ' A' ' 31' ' ' ILE . 4.0 tptp -115.88 133.97 55.48 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 73.25 110.875 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.2 -143.18 28.23 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.731 -0.747 . . . . 61.200000000000003 112.505 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.613 ' C ' HD13 ' A' ' 31' ' ' ILE . . . -84.11 115.28 22.31 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.758 0.313 . . . . 74.109999999999999 111.128 179.988 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.625 HG21 ' OD1' ' A' ' 27' ' ' ASN . 2.7 mm -120.56 110.54 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 71.5 111.103 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 37.8 mt -130.05 118.85 45.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 73.450000000000003 111.136 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.11 -44.39 42.4 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.776 -0.726 . . . . 43.409999999999997 112.509 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 1.041 HD13 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -171.95 151.81 2.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.784 0.326 . . . . 73.200000000000003 110.895 -179.931 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.886 ' N ' HD22 ' A' ' 34' ' ' LEU . 0.0 OUTLIER -114.34 119.86 38.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 74.430000000000007 110.91 179.787 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.419 ' O ' HG13 ' A' ' 36' ' ' VAL . 4.2 p -136.31 117.76 19.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 71.120000000000005 111.138 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.53 15.8 47.92 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.735 -0.745 . . . . 40.210000000000001 112.477 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.72 -168.17 15.83 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.77 -0.729 . . . . 73.219999999999999 112.536 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.652 ' O ' HG23 ' B' ' 39' ' ' VAL . 4.0 p -168.86 130.83 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.887 0.375 . . . . 74.109999999999999 111.152 -179.991 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.678 ' HA ' HG22 ' B' ' 40' ' ' VAL . 36.0 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 65.310000000000002 111.141 179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.849 0.357 . . . . 73.040000000000006 110.88 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.72 82.51 2.44 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 54.119999999999997 111.131 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -52.79 -47.42 67.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.232 -0.44 . . . . 73.409999999999997 110.853 -179.877 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.24 115.1 6.47 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.132 -0.485 . . . . 71.239999999999995 110.884 -179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -131.27 109.03 10.09 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.489 . . . . 74.049999999999997 110.917 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 79.7 t60 -103.75 109.1 20.68 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 72.420000000000002 110.891 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -111.6 102.05 10.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.17 -0.468 . . . . 72.129999999999995 110.831 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 7.0 t -148.35 174.52 11.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 75.129999999999995 110.851 -179.79 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.31 -8.49 30.98 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.788 -0.72 . . . . 50.200000000000003 112.489 179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.409 ' HD1' HG23 ' B' ' 12' ' ' VAL . 1.5 t80 -172.39 112.35 0.27 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.885 0.374 . . . . 72.019999999999996 110.927 -179.789 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -104.32 119.65 39.44 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.065 -0.516 . . . . 64.450000000000003 110.894 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.409 HG23 ' HD1' ' B' ' 10' ' ' TYR . 61.2 t -130.57 113.66 25.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.166 -0.47 . . . . 53.219999999999999 111.148 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 49.8 m170 -120.83 113.94 20.88 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.177 -0.465 . . . . 71.120000000000005 110.894 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -125.89 134.15 51.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 72.209999999999994 110.846 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.88 133.03 55.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 75.519999999999996 110.921 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.627 ' C ' HD22 ' B' ' 17' ' ' LEU . 5.4 tttp -125.54 117.16 22.99 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.201 -0.454 . . . . 61.350000000000001 110.886 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.799 ' HB2' HD13 ' C' ' 17' ' ' LEU . 4.4 mm? -126.63 102.06 6.92 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.244 -0.434 . . . . 74.420000000000002 110.935 179.908 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 89.3 t -108.63 112.95 42.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 64.219999999999999 111.115 179.839 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.621 ' CZ ' HD12 ' B' ' 17' ' ' LEU . 6.9 m-85 -118.25 105.97 12.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.168 -0.469 . . . . 72.230000000000004 110.858 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.569 ' CZ ' HG22 ' A' ' 31' ' ' ILE . 3.9 m-30 60.12 80.65 0.2 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.123 -0.49 . . . . 74.209999999999994 110.89 -179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.67 116.92 29.93 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.145 -0.48 . . . . 65.109999999999999 111.092 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 64.4 108.2 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 60.119999999999997 110.87 179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.72 HG11 ' OD1' ' B' ' 27' ' ' ASN . 87.8 t -125.19 125.58 69.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.25 -0.432 . . . . 63.119999999999997 111.167 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.55 -51.26 58.89 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.75 . . . . 64.349999999999994 112.487 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -148.93 122.72 9.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.91 0.385 . . . . 51.340000000000003 110.845 -179.742 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.72 ' OD1' HG11 ' B' ' 24' ' ' VAL . 14.8 m-20 -94.79 100.68 12.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.124 -0.489 . . . . 75.25 110.879 -179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . 0.563 ' O ' HD11 ' B' ' 31' ' ' ILE . 4.4 tptp -117.94 135.76 53.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.156 -0.475 . . . . 72.030000000000001 110.859 179.917 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.05 -142.15 27.07 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.778 -0.725 . . . . 70.109999999999999 112.484 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.582 ' C ' HD13 ' B' ' 31' ' ' ILE . . . -83.67 114.48 21.59 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.742 0.306 . . . . 34.200000000000003 111.131 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.626 HG21 ' OD1' ' B' ' 27' ' ' ASN . 2.8 mm -119.08 107.67 22.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 74.349999999999994 111.187 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 32.4 mt -127.9 119.7 52.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.198 -0.456 . . . . 64.340000000000003 111.107 179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.52 -43.84 53.04 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.698 -0.763 . . . . 41.020000000000003 112.512 179.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 1.008 HD13 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -171.85 150.28 2.6 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.845 0.355 . . . . 74.040000000000006 110.892 -179.906 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.85 ' N ' HD22 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -114.06 116.16 28.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.454 . . . . 74.019999999999996 110.894 179.798 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.45 HG13 ' HA ' ' C' ' 36' ' ' VAL . 4.0 p -136.57 117.8 18.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.239 -0.437 . . . . 53.439999999999998 111.112 -179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.06 17.0 43.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.721 -0.752 . . . . 62.399999999999999 112.525 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -115.24 -170.03 16.1 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.715 -0.755 . . . . 64.120000000000005 112.491 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.694 ' O ' HG23 ' C' ' 39' ' ' VAL . 3.8 p -169.14 131.17 0.27 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.283 0 CA-C-O 120.892 0.377 . . . . 71.129999999999995 111.103 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.704 ' HA ' HG22 ' C' ' 40' ' ' VAL . 30.1 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.143 -0.48 . . . . 73.420000000000002 111.137 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.837 0.351 . . . . 64.310000000000002 110.855 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.01 82.06 2.51 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.195 -0.457 . . . . 63.539999999999999 111.088 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -53.1 -46.75 68.82 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 73.129999999999995 110.857 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.58 114.73 6.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.144 -0.48 . . . . 72.319999999999993 110.912 -179.891 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 12.2 mmt85 -131.73 109.03 9.87 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 73.140000000000001 110.875 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -103.89 108.9 20.43 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 64.019999999999996 110.816 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -111.96 102.05 10.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 64.010000000000005 110.837 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 6.9 t -146.91 174.35 11.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.246 -0.434 . . . . 72.530000000000001 110.897 -179.822 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.65 -8.99 31.64 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.718 -0.754 . . . . 63.210000000000001 112.496 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.61 112.53 0.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.846 0.355 . . . . 75.439999999999998 110.895 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 22.0 tt0 -104.84 119.83 39.95 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.112 -0.494 . . . . 75.129999999999995 110.858 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 55.4 t -129.98 113.53 26.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.153 -0.476 . . . . 63.439999999999998 111.113 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -120.46 113.39 20.24 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.142 -0.481 . . . . 72.120000000000005 110.846 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 6.8 m170 -125.63 134.01 52.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.188 -0.46 . . . . 45.43 110.844 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.83 133.59 54.89 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 73.200000000000003 110.887 -179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.618 ' C ' HD22 ' C' ' 17' ' ' LEU . 5.5 tttp -123.51 116.63 23.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.184 -0.462 . . . . 70.420000000000002 110.941 179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.799 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.4 mm? -126.94 101.1 6.42 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 64.310000000000002 110.909 179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 86.9 t -108.89 112.44 40.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.192 -0.458 . . . . 74.140000000000001 111.139 179.838 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.632 ' CZ ' HD12 ' C' ' 17' ' ' LEU . 5.7 m-85 -116.68 106.3 13.37 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 73.329999999999998 110.907 -179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.608 ' CZ ' HG22 ' B' ' 31' ' ' ILE . 4.0 m-30 59.82 81.43 0.17 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 74.109999999999999 110.865 -179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.04 115.77 28.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.183 -0.462 . . . . 51.32 111.111 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.29 108.52 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.258 -0.428 . . . . 64.219999999999999 110.881 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.717 HG11 ' OD1' ' C' ' 27' ' ' ASN . 94.3 t -125.02 125.4 69.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 71.109999999999999 111.11 -179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.73 -50.57 62.87 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.776 -0.726 . . . . 74.230000000000004 112.495 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -149.2 122.7 9.11 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.886 0.374 . . . . 71.030000000000001 110.867 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.717 ' OD1' HG11 ' C' ' 24' ' ' VAL . 15.0 m-20 -94.39 100.49 12.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.145 -0.48 . . . . 62.140000000000001 110.91 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . 0.528 ' O ' HD11 ' C' ' 31' ' ' ILE . 4.6 tptp -119.23 136.76 54.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 74.209999999999994 110.869 179.938 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.32 -142.01 26.61 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.766 -0.731 . . . . 55.109999999999999 112.505 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.556 ' C ' HD13 ' C' ' 31' ' ' ILE . . . -82.95 113.74 20.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.795 0.331 . . . . 71.129999999999995 111.082 179.951 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.609 HG22 ' CZ ' ' D' ' 20' ' ' PHE . 3.0 mm -118.06 106.98 20.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 62.420000000000002 111.194 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 25.7 mt -127.64 119.74 52.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 74.140000000000001 111.128 179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.85 -44.72 55.71 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 34.43 112.485 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.946 HD13 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -170.76 149.17 3.05 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.853 0.358 . . . . 72.400000000000006 110.899 -179.924 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.801 ' N ' HD22 ' C' ' 34' ' ' LEU . 0.0 OUTLIER -115.17 114.1 24.83 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.169 -0.468 . . . . 72.400000000000006 110.895 179.851 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.589 HG12 HD21 ' C' ' 34' ' ' LEU . 4.6 p -135.64 117.32 20.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.438 . . . . 74.439999999999998 111.119 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.76 17.7 43.29 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.765 -0.731 . . . . 54.409999999999997 112.468 179.943 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.08 -170.57 17.06 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.737 -0.744 . . . . 50.130000000000003 112.483 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.694 HG23 ' O ' ' B' ' 39' ' ' VAL . 3.4 p -169.58 131.06 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.856 0.36 . . . . 62.219999999999999 111.113 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.704 HG22 ' HA ' ' B' ' 40' ' ' VAL . 27.3 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 73.540000000000006 111.159 179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 N--CA 1.458 -0.073 0 CA-C-O 120.875 0.369 . . . . 74.549999999999997 110.855 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.86 81.73 2.49 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.187 -0.46 . . . . 75.340000000000003 111.143 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -52.63 -45.21 66.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.25 -0.432 . . . . 53.530000000000001 110.865 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.11 114.84 6.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 72.450000000000003 110.865 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 12.3 mmt85 -131.62 109.09 9.97 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.107 -0.497 . . . . 75.310000000000002 110.852 -179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -104.28 108.71 20.24 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.172 -0.467 . . . . 75.340000000000003 110.839 -179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -112.55 102.22 10.32 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.202 -0.453 . . . . 74.549999999999997 110.906 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t -146.24 173.66 12.03 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 75.340000000000003 110.848 -179.756 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.81 -8.66 31.78 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.755 -0.735 . . . . 72.230000000000004 112.488 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.3 111.26 0.26 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.851 0.358 . . . . 73.439999999999998 110.951 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 -104.61 119.85 39.94 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 74.099999999999994 110.87 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 56.3 t -130.43 113.3 25.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 60.5 111.134 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 39.8 m170 -120.88 113.04 19.56 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.118 -0.492 . . . . 73.129999999999995 110.881 179.896 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -126.36 132.82 51.49 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.205 -0.452 . . . . 75.439999999999998 110.876 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.95 135.0 54.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.222 -0.445 . . . . 75.349999999999994 110.927 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.603 ' C ' HD22 ' D' ' 17' ' ' LEU . 5.4 tttp -122.39 117.29 25.67 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.242 -0.436 . . . . 42.039999999999999 110.9 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.719 HD13 ' HB2' ' C' ' 17' ' ' LEU . 4.6 mm? -127.99 100.71 6.0 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 70.019999999999996 110.913 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 87.8 t -108.59 113.58 44.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 73.0 111.117 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.616 ' CZ ' HD12 ' D' ' 17' ' ' LEU . 5.2 m-85 -115.52 106.94 14.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 64.040000000000006 110.882 -179.971 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.609 ' CZ ' HG22 ' C' ' 31' ' ' ILE . 4.0 m-30 59.69 81.38 0.17 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 74.010000000000005 110.852 -179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.11 115.45 27.53 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.153 -0.476 . . . . 72.510000000000005 111.08 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.42 108.01 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 74.200000000000003 110.867 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.699 HG11 ' OD1' ' D' ' 27' ' ' ASN . 92.5 t -125.28 124.43 67.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 53.439999999999998 111.105 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.38 -50.35 63.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.694 -0.765 . . . . 50.039999999999999 112.528 179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -149.71 123.12 9.04 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.879 0.371 . . . . 50.240000000000002 110.875 -179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.699 ' OD1' HG11 ' D' ' 24' ' ' VAL . 14.0 m-20 -93.67 100.0 12.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.48 . . . . 53.450000000000003 110.91 -179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . 0.487 ' O ' HD11 ' D' ' 31' ' ' ILE . 4.3 tptp -120.1 138.2 53.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 74.450000000000003 110.939 179.905 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.62 -141.31 25.41 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.732 -0.747 . . . . 43.229999999999997 112.469 179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.505 ' HA ' ' HB3' ' E' ' 30' ' ' ALA . . . -82.79 113.34 20.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.753 0.311 . . . . 63.119999999999997 111.117 179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.615 HG22 ' CZ ' ' E' ' 20' ' ' PHE . 4.9 mm -117.19 107.62 22.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.239 -0.437 . . . . 73.310000000000002 111.148 179.976 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 25.6 mt -127.84 118.17 48.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.158 -0.473 . . . . 61.140000000000001 111.152 179.869 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.09 -45.29 51.49 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.745 -0.74 . . . . 61.399999999999999 112.488 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.887 HD13 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -170.83 146.26 2.54 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.772 0.32 . . . . 75.140000000000001 110.921 -179.846 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.722 ' N ' HD22 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -116.36 113.83 23.46 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.46 . . . . 72.530000000000001 110.873 179.816 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.745 HG12 HD21 ' D' ' 34' ' ' LEU . 3.4 p -135.24 115.64 18.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.25 -0.432 . . . . 73.340000000000003 111.161 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.61 18.15 43.84 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.784 -0.722 . . . . 72.310000000000002 112.504 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.33 -169.54 18.85 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.788 -0.72 . . . . 75.409999999999997 112.543 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.686 HG23 ' O ' ' C' ' 39' ' ' VAL . 3.4 p -168.87 131.03 0.28 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.817 0.341 . . . . 74.430000000000007 111.121 -179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.697 HG22 ' HA ' ' C' ' 40' ' ' VAL . 32.9 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 72.349999999999994 111.155 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.836 0.35 . . . . 73.540000000000006 110.842 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.16 82.67 2.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 62.039999999999999 111.075 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -51.67 -45.75 63.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 73.310000000000002 110.861 -179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -146.21 115.75 7.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.174 -0.466 . . . . 74.400000000000006 110.871 -179.919 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 12.0 mmt85 -128.95 109.1 10.95 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.47 . . . . 74.409999999999997 110.876 -179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 82.0 t60 -103.83 108.74 20.19 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 72.450000000000003 110.887 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -113.03 102.18 10.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 72.540000000000006 110.839 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 7.0 t -147.32 171.13 15.92 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 53.310000000000002 110.867 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.09 -8.19 34.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.736 -0.745 . . . . 75.400000000000006 112.517 -179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -171.85 109.25 0.25 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.845 0.355 . . . . 73.310000000000002 110.932 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 22.3 tt0 -105.46 120.13 40.85 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.109 -0.496 . . . . 74.239999999999995 110.843 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 55.4 t -130.16 113.64 26.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 62.039999999999999 111.137 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 43.4 m170 -120.45 112.86 19.5 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 62.43 110.816 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 6.9 m170 -127.1 134.09 50.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 70.150000000000006 110.833 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.42 139.0 54.35 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 64.510000000000005 110.931 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . 0.539 ' C ' HD22 ' E' ' 17' ' ' LEU . 5.5 tttp -122.39 115.72 22.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.223 -0.444 . . . . 65.5 110.902 179.948 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.573 HD13 ' HB2' ' D' ' 17' ' ' LEU . 4.5 mm? -127.61 101.87 6.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.221 -0.445 . . . . 70.310000000000002 110.921 179.899 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 86.3 t -108.3 114.43 46.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.144 -0.48 . . . . 62.130000000000003 111.117 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.511 ' CE1' HD12 ' E' ' 17' ' ' LEU . 5.5 m-85 -114.36 105.63 13.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 71.319999999999993 110.882 179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.615 ' CZ ' HG22 ' D' ' 31' ' ' ILE . 4.3 m-30 59.02 81.87 0.16 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.137 -0.483 . . . . 74.049999999999997 110.856 -179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -95.07 113.95 25.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 41.409999999999997 111.101 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 63.93 108.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 75.040000000000006 110.887 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.71 HG11 ' OD1' ' E' ' 27' ' ' ASN . 92.5 t -124.65 122.33 63.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 53.420000000000002 111.096 -179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.87 -49.63 66.67 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.712 -0.756 . . . . 73.430000000000007 112.502 179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -151.8 121.55 7.0 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.858 0.361 . . . . 41.329999999999998 110.85 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.71 ' OD1' HG11 ' E' ' 24' ' ' VAL . 12.1 m-20 -91.37 99.7 12.61 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 62.130000000000003 110.902 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 4.6 tptp -121.96 138.98 54.21 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.452 . . . . 72.239999999999995 110.904 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.91 -139.18 21.07 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.745 -0.741 . . . . 72.239999999999995 112.445 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.505 ' HB3' ' HA ' ' D' ' 30' ' ' ALA . . . -83.34 114.44 21.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.783 0.325 . . . . 72.340000000000003 111.093 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.442 HG21 ' ND2' ' E' ' 27' ' ' ASN . 10.7 mm -114.73 107.76 23.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.21 -0.45 . . . . 74.040000000000006 111.127 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 31.7 mt -125.58 114.94 41.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.157 -0.474 . . . . 75.400000000000006 111.102 179.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.52 -40.21 77.14 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.748 -0.739 . . . . 52.210000000000001 112.515 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.828 ' C ' HD22 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -171.47 149.47 2.69 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.825 0.345 . . . . 71.25 110.92 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.62 ' N ' HD22 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -125.41 115.08 19.72 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 53.240000000000002 110.888 179.832 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.662 HG12 HD21 ' E' ' 34' ' ' LEU . 4.4 p -141.26 114.39 4.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.234 -0.439 . . . . 75.340000000000003 111.161 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.74 18.91 33.72 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.708 -0.758 . . . . 71.420000000000002 112.506 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.98 -168.71 18.15 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 73.109999999999999 112.475 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.618 HG23 ' O ' ' D' ' 39' ' ' VAL . 3.2 p -169.06 131.95 0.3 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-O 120.879 0.371 . . . . 73.019999999999996 111.097 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.48 HG13 ' CE ' ' E' ' 35' ' ' MET . 34.5 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 72.310000000000002 111.093 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 94.8 m-20 . . . . . 0 C--O 1.23 0.038 0 CA-C-O 120.825 0.345 . . . . 71.519999999999996 110.866 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.58 81.62 2.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.169 -0.469 . . . . 42.32 111.065 179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -52.74 -47.79 67.15 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.217 -0.447 . . . . 74.209999999999994 110.859 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.99 115.53 6.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 74.239999999999995 110.838 -179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -133.02 109.26 9.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.14 -0.482 . . . . 73.340000000000003 110.876 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -104.44 110.03 22.13 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.184 -0.462 . . . . 75.430000000000007 110.871 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -110.71 102.48 11.03 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 74.439999999999998 110.809 -179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 6.6 t -148.76 174.14 12.51 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.185 -0.461 . . . . 71.219999999999999 110.868 -179.815 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.38 -7.66 29.99 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.748 -0.739 . . . . 62.310000000000002 112.469 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . 0.439 ' HD1' HG23 ' F' ' 12' ' ' VAL . 1.4 t80 -171.56 112.45 0.34 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.815 0.34 . . . . 74.219999999999999 110.912 -179.804 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -104.05 119.53 39.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.096 -0.502 . . . . 75.219999999999999 110.917 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.439 HG23 ' HD1' ' F' ' 10' ' ' TYR . 58.6 t -132.42 113.39 21.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.128 -0.487 . . . . 72.040000000000006 111.105 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 42.7 m170 -120.88 114.63 21.86 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.163 -0.471 . . . . 55.409999999999997 110.837 179.961 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -125.95 132.98 51.98 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.164 -0.471 . . . . 75.299999999999997 110.855 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.97 132.91 55.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 71.299999999999997 110.891 -179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . 0.565 ' C ' HD22 ' F' ' 17' ' ' LEU . 5.3 tttp -130.46 115.94 17.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.232 -0.44 . . . . 61.310000000000002 110.932 179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.708 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.5 mm? -126.71 101.0 6.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 75.239999999999995 110.898 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.421 ' CG1' ' HB2' ' F' ' 21' ' ' ALA . 91.8 t -108.99 114.74 47.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 61.340000000000003 111.132 179.831 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.628 ' CZ ' HD12 ' F' ' 17' ' ' LEU . 8.6 m-85 -117.66 109.29 16.47 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.173 -0.467 . . . . 73.129999999999995 110.918 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 4.0 m-30 60.87 78.25 0.29 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 75.310000000000002 110.895 -179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . 0.421 ' HB2' ' CG1' ' F' ' 18' ' ' VAL . . . -95.28 119.32 33.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.14 -0.482 . . . . 64.5 111.117 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 64.07 107.45 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.247 -0.433 . . . . 73.099999999999994 110.895 179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.743 HG11 ' OD1' ' F' ' 27' ' ' ASN . 99.6 t -125.0 125.47 69.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.449 . . . . 53.229999999999997 111.135 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.9 -52.15 54.62 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.763 -0.732 . . . . 71.310000000000002 112.475 179.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -149.29 121.09 8.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.932 0.396 . . . . 71.349999999999994 110.87 -179.758 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . 0.743 ' OD1' HG11 ' F' ' 24' ' ' VAL . 16.1 m-20 -94.54 100.68 12.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.113 -0.494 . . . . 75.200000000000003 110.897 -179.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . 0.611 ' O ' HD11 ' F' ' 31' ' ' ILE . 5.4 tptp -114.69 134.55 54.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.134 -0.484 . . . . 70.120000000000005 110.92 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.08 -144.89 30.29 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.775 -0.726 . . . . 72.310000000000002 112.446 179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.594 ' C ' HD13 ' F' ' 31' ' ' ILE . . . -83.54 114.73 21.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.732 0.301 . . . . 61.520000000000003 111.071 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.613 HG21 ' OD1' ' F' ' 27' ' ' ASN . 2.7 mm -119.55 112.21 36.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 73.239999999999995 111.108 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 38.1 mt -130.32 118.41 43.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 74.140000000000001 111.159 179.845 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.94 -44.81 41.22 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.731 -0.747 . . . . 55.439999999999998 112.469 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 1.022 HD13 ' O ' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -172.05 151.74 2.76 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.821 0.343 . . . . 73.230000000000004 110.962 -179.958 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . 0.87 ' N ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -114.46 119.68 37.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.44 . . . . 64.409999999999997 110.881 179.888 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.425 ' O ' HG13 ' F' ' 36' ' ' VAL . 4.0 p -135.59 117.11 20.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.262 -0.427 . . . . 73.450000000000003 111.147 179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.27 16.34 48.66 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.742 -0.742 . . . . 61.409999999999997 112.528 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.92 -171.23 16.75 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.738 -0.744 . . . . 53.140000000000001 112.51 -179.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.7 ' O ' HG23 ' G' ' 39' ' ' VAL . 4.0 p -169.38 130.48 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.871 0.367 . . . . 61.340000000000003 111.164 -179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.738 ' HA ' HG22 ' G' ' 40' ' ' VAL . 33.7 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.189 -0.459 . . . . 73.010000000000005 111.121 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 94.9 m-20 . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.779 0.323 . . . . 63.299999999999997 110.887 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.43 82.03 2.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 65.200000000000003 111.091 179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -52.31 -47.87 65.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.222 -0.444 . . . . 71.019999999999996 110.875 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.69 115.38 6.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.181 -0.463 . . . . 73.299999999999997 110.87 -179.895 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 12.4 mmt85 -131.43 109.66 10.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.14 -0.482 . . . . 72.209999999999994 110.89 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 78.8 t60 -104.43 109.21 20.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 74.510000000000005 110.816 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 10.7 t0 -111.25 102.32 10.74 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 72.209999999999994 110.859 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t -148.29 174.32 12.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 64.409999999999997 110.859 -179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -107.38 -8.56 30.74 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.71 -0.757 . . . . 61.140000000000001 112.474 -179.963 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . 0.416 ' HD1' HG23 ' G' ' 12' ' ' VAL . 1.5 t80 -172.25 112.92 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.86 0.362 . . . . 72.239999999999995 110.942 -179.857 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 22.1 tt0 -104.07 119.52 39.11 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.097 -0.501 . . . . 74.439999999999998 110.886 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . 0.416 HG23 ' HD1' ' G' ' 10' ' ' TYR . 60.2 t -129.74 113.53 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 70.239999999999995 111.13 179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 39.5 m170 -121.32 114.59 21.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.158 -0.473 . . . . 70.439999999999998 110.889 179.923 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -127.2 133.56 50.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.184 -0.462 . . . . 72.019999999999996 110.834 -179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.36 132.87 55.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.18 -0.463 . . . . 65.219999999999999 110.907 -179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . 0.622 ' C ' HD22 ' G' ' 17' ' ' LEU . 5.5 tttp -125.7 117.15 22.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.454 . . . . 73.230000000000004 110.86 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.773 ' HB2' HD13 ' H' ' 17' ' ' LEU . 4.4 mm? -126.5 101.55 6.73 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.171 -0.468 . . . . 75.219999999999999 110.962 179.886 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 89.2 t -108.05 113.16 43.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 71.430000000000007 111.144 179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.618 ' CZ ' HD12 ' G' ' 17' ' ' LEU . 7.1 m-85 -118.28 106.36 12.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 74.140000000000001 110.864 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 0.554 ' CZ ' HG22 ' F' ' 31' ' ' ILE . 3.9 m-30 60.06 80.4 0.21 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 74.519999999999996 110.84 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.59 117.58 31.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.152 -0.476 . . . . 64.340000000000003 111.138 179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.37 107.86 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 75.120000000000005 110.929 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.734 HG11 ' OD1' ' G' ' 27' ' ' ASN . 90.6 t -125.32 124.97 68.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.455 . . . . 31.300000000000001 111.134 -179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.38 -51.7 56.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.692 -0.766 . . . . 75.219999999999999 112.511 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 3.4 p -148.64 121.73 8.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.904 0.383 . . . . 74.409999999999997 110.837 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . 0.734 ' OD1' HG11 ' G' ' 24' ' ' VAL . 14.4 m-20 -94.01 99.74 12.0 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.103 -0.499 . . . . 35.229999999999997 110.88 -179.954 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . 0.551 ' O ' HD11 ' G' ' 31' ' ' ILE . 5.0 tptp -116.8 136.56 52.86 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 73.129999999999995 110.883 179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.77 -143.8 29.43 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.706 -0.759 . . . . 72.209999999999994 112.523 179.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.564 ' C ' HD13 ' G' ' 31' ' ' ILE . . . -82.9 114.25 21.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.76 0.314 . . . . 72.310000000000002 111.099 179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.589 HG22 ' CZ ' ' H' ' 20' ' ' PHE . 2.8 mm -118.08 109.55 27.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.455 . . . . 72.439999999999998 111.11 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 35.2 mt -128.42 119.17 49.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.167 -0.47 . . . . 75.519999999999996 111.09 179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.8 -44.35 55.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.714 -0.755 . . . . 54.530000000000001 112.482 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 1.02 ' O ' HD13 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -171.56 149.9 2.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.804 0.335 . . . . 60.509999999999998 110.895 -179.905 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.859 ' N ' HD22 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -114.1 115.99 28.42 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 64.420000000000002 110.861 179.822 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.439 HG13 ' HA ' ' H' ' 36' ' ' VAL . 3.8 p -135.71 116.65 18.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.271 -0.422 . . . . 72.549999999999997 111.132 179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.85 18.14 45.5 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.744 -0.741 . . . . 62.210000000000001 112.496 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -114.49 -171.08 16.96 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.793 -0.718 . . . . 53.229999999999997 112.508 -179.929 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.7 HG23 ' O ' ' F' ' 39' ' ' VAL . 3.4 p -169.27 130.35 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 73.329999999999998 111.109 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.738 HG22 ' HA ' ' F' ' 40' ' ' VAL . 27.0 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.137 -0.483 . . . . 72.430000000000007 111.127 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.805 0.336 . . . . 63.32 110.878 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.02 81.64 2.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.464 . . . . 61.049999999999997 111.111 179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -52.49 -46.98 66.82 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.196 -0.456 . . . . 74.450000000000003 110.892 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.54 115.23 6.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.134 -0.484 . . . . 73.319999999999993 110.876 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 12.5 mmt85 -131.74 108.84 9.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.123 -0.49 . . . . 73.329999999999998 110.907 -179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 82.7 t60 -104.15 108.88 20.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 65.219999999999999 110.889 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -111.91 102.16 10.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 63.119999999999997 110.879 -179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 6.9 t -147.02 174.21 11.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.189 -0.46 . . . . 54.509999999999998 110.865 -179.788 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.96 -9.04 30.85 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.725 -0.75 . . . . 73.510000000000005 112.511 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.32 112.12 0.27 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.868 0.366 . . . . 71.109999999999999 110.92 -179.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 21.9 tt0 -103.87 119.78 39.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 70.219999999999999 110.896 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 53.8 t -129.37 113.7 28.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.128 -0.487 . . . . 73.450000000000003 111.144 179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 41.4 m170 -121.34 113.72 20.31 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.126 -0.488 . . . . 71.200000000000003 110.884 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -126.88 133.73 50.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.232 -0.44 . . . . 64.140000000000001 110.867 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.14 133.3 55.2 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.217 -0.447 . . . . 73.319999999999993 110.968 -179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . 0.618 ' C ' HD22 ' H' ' 17' ' ' LEU . 5.5 tttp -123.3 116.43 23.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.244 -0.434 . . . . 75.450000000000003 110.934 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.773 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.5 mm? -126.85 100.88 6.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.251 -0.431 . . . . 71.140000000000001 110.945 179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 87.1 t -108.58 112.27 39.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 61.210000000000001 111.088 179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.628 ' CZ ' HD12 ' H' ' 17' ' ' LEU . 5.6 m-85 -116.35 105.95 13.1 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.153 -0.476 . . . . 73.230000000000004 110.865 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . 0.589 ' CZ ' HG22 ' G' ' 31' ' ' ILE . 4.0 m-30 60.28 80.85 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.177 -0.465 . . . . 64.409999999999997 110.888 -179.928 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.55 116.32 28.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.184 -0.462 . . . . 42.310000000000002 111.119 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 64.37 108.59 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.255 -0.43 . . . . 73.230000000000004 110.893 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.749 HG11 ' OD1' ' H' ' 27' ' ' ASN . 95.7 t -125.59 124.09 66.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 74.120000000000005 111.099 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.24 -51.0 59.73 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.722 -0.751 . . . . 52.039999999999999 112.492 179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 3.3 p -148.5 121.9 9.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.861 0.363 . . . . 74.219999999999999 110.888 -179.751 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . 0.749 ' OD1' HG11 ' H' ' 24' ' ' VAL . 13.0 m-20 -94.32 99.95 12.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.175 -0.466 . . . . 70.340000000000003 110.906 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . 0.521 ' O ' HD11 ' H' ' 31' ' ' ILE . 5.1 tptp -118.28 137.71 52.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.163 -0.471 . . . . 72.040000000000006 110.88 179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 76.94 -143.09 28.42 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.748 -0.739 . . . . 75.0 112.455 179.928 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . 0.531 ' C ' HD13 ' H' ' 31' ' ' ILE . . . -82.48 113.84 20.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.753 0.311 . . . . 32.509999999999998 111.09 -179.989 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.602 HG22 ' CZ ' ' I' ' 20' ' ' PHE . 3.2 mm -117.32 107.81 23.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.178 -0.464 . . . . 73.219999999999999 111.13 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 26.5 mt -127.44 118.93 50.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.47 . . . . 63.039999999999999 111.177 179.84 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.91 -45.4 55.96 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 53.119999999999997 112.467 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.931 ' O ' HD13 ' H' ' 34' ' ' LEU . 0.0 OUTLIER -170.29 148.63 3.28 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.84 0.352 . . . . 70.349999999999994 110.907 -179.934 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . 0.797 ' N ' HD22 ' H' ' 34' ' ' LEU . 0.0 OUTLIER -114.94 114.0 24.88 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 72.230000000000004 110.876 179.851 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.607 HG12 HD21 ' H' ' 34' ' ' LEU . 4.5 p -135.53 117.04 20.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.264 -0.425 . . . . 72.200000000000003 111.132 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.38 18.03 41.72 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.763 -0.732 . . . . 64.140000000000001 112.501 -179.964 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -113.21 -170.9 17.77 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.731 -0.747 . . . . 43.439999999999998 112.486 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.693 HG23 ' O ' ' G' ' 39' ' ' VAL . 3.2 p -169.54 130.48 0.22 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.841 0.353 . . . . 63.009999999999998 111.157 -179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . 0.734 HG22 ' HA ' ' G' ' 40' ' ' VAL . 23.9 m . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.456 . . . . 72.099999999999994 111.155 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 95.4 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.812 0.339 . . . . 73.420000000000002 110.857 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.32 80.94 2.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.207 -0.451 . . . . 61.509999999999998 111.118 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -52.37 -46.68 66.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.239 -0.437 . . . . 64.129999999999995 110.913 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 0.7 OUTLIER -147.1 115.12 6.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.194 -0.457 . . . . 74.319999999999993 110.875 -179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 12.1 mmt85 -131.85 109.34 10.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.45 . . . . 71.420000000000002 110.827 -179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -104.29 108.7 20.22 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.169 -0.468 . . . . 55.009999999999998 110.875 179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 10.6 t0 -112.4 102.28 10.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 71.319999999999993 110.89 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 6.8 t -146.26 173.46 12.22 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 21.109999999999999 110.851 -179.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.83 -8.59 31.87 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.766 -0.73 . . . . 73.510000000000005 112.496 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -172.24 111.29 0.27 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.875 0.369 . . . . 74.140000000000001 110.92 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -103.66 119.8 39.63 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.065 -0.516 . . . . 75.099999999999994 110.853 -179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 55.1 t -129.82 113.28 26.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.151 -0.477 . . . . 73.040000000000006 111.113 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 41.8 m170 -121.09 113.14 19.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.17 -0.468 . . . . 75.209999999999994 110.883 179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 7.0 m170 -126.06 133.26 51.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.212 -0.449 . . . . 72.430000000000007 110.888 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.88 134.15 54.87 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.235 -0.439 . . . . 74.150000000000006 110.929 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . 0.596 ' C ' HD22 ' I' ' 17' ' ' LEU . 5.5 tttp -122.43 116.48 24.05 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 71.439999999999998 110.871 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.736 HD13 ' HB2' ' H' ' 17' ' ' LEU . 4.6 mm? -128.22 100.35 5.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.21 -0.45 . . . . 73.040000000000006 110.937 179.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 88.1 t -108.75 113.46 44.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 64.200000000000003 111.122 179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . 0.637 ' CZ ' HD12 ' I' ' 17' ' ' LEU . 5.1 m-85 -115.73 106.9 14.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 74.129999999999995 110.86 -179.968 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . 0.602 ' CZ ' HG22 ' H' ' 31' ' ' ILE . 4.0 m-30 59.67 81.3 0.17 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 75.140000000000001 110.887 -179.922 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.4 115.76 28.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.136 -0.484 . . . . 73.439999999999998 111.075 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 64.3 108.13 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.167 -0.469 . . . . 64.420000000000002 110.825 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.708 HG11 ' OD1' ' I' ' 27' ' ' ASN . 93.2 t -125.41 123.82 65.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.201 -0.454 . . . . 74.299999999999997 111.126 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.9 -50.68 61.62 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.746 -0.74 . . . . 64.409999999999997 112.436 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -149.24 122.09 8.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.904 0.383 . . . . 74.530000000000001 110.846 -179.72 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . 0.708 ' OD1' HG11 ' I' ' 24' ' ' VAL . 12.1 m-20 -93.72 99.32 11.75 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.152 -0.476 . . . . 74.319999999999993 110.903 -179.997 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . 0.473 ' O ' HD11 ' I' ' 31' ' ' ILE . 4.5 tptp -119.37 138.84 52.81 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 63.409999999999997 110.915 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 77.75 -141.99 26.13 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.734 -0.746 . . . . 71.430000000000007 112.494 179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.469 ' C ' HD13 ' I' ' 31' ' ' ILE . . . -82.7 113.77 20.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.738 0.304 . . . . 61.240000000000002 111.124 179.979 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.6 HG22 ' CZ ' ' J' ' 20' ' ' PHE . 4.8 mm -117.23 108.93 26.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.193 -0.458 . . . . 63.530000000000001 111.104 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 29.2 mt -127.86 118.18 48.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 64.329999999999998 111.133 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.53 -45.37 53.89 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.726 -0.75 . . . . 41.229999999999997 112.463 179.936 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.887 ' O ' HD13 ' I' ' 34' ' ' LEU . 0.0 OUTLIER -171.25 146.25 2.32 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.802 0.334 . . . . 61.329999999999998 110.927 -179.9 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . 0.725 ' N ' HD22 ' I' ' 34' ' ' LEU . 0.0 OUTLIER -116.22 113.34 22.9 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.222 -0.445 . . . . 74.540000000000006 110.905 179.838 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.786 HG12 HD21 ' I' ' 34' ' ' LEU . 3.4 p -135.43 115.29 17.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.267 -0.424 . . . . 62.149999999999999 111.147 179.963 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.09 17.37 44.57 Favored Glycine 0 N--CA 1.45 -0.374 0 C-N-CA 120.753 -0.736 . . . . 73.010000000000005 112.478 -179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.58 -170.16 19.55 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.769 -0.729 . . . . 5.4299999999999997 112.482 -179.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 0.689 HG23 ' O ' ' H' ' 39' ' ' VAL . 3.2 p -169.18 130.88 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.356 . . . . 71.400000000000006 111.141 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . 0.709 HG22 ' HA ' ' H' ' 40' ' ' VAL . 33.0 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.151 -0.477 . . . . 51.420000000000002 111.161 179.919 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 95.0 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.828 0.346 . . . . 74.310000000000002 110.908 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.1 82.67 2.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 75.420000000000002 111.068 -179.996 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -51.96 -47.14 64.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.195 -0.457 . . . . 73.0 110.859 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 0.6 OUTLIER -147.68 115.76 6.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.206 -0.452 . . . . 71.319999999999993 110.852 -179.907 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 11.7 mmt85 -129.36 109.16 10.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 73.230000000000004 110.875 -179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 82.5 t60 -102.9 108.77 20.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 74.209999999999994 110.868 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 10.5 t0 -113.03 102.19 10.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.216 -0.447 . . . . 62.240000000000002 110.871 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 7.3 t -147.56 170.73 16.83 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.450000000000003 110.88 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -106.15 -7.92 34.56 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.715 -0.755 . . . . 54.43 112.462 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -171.7 109.3 0.27 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.859 0.362 . . . . 75.049999999999997 110.918 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 21.5 tt0 -104.95 120.05 40.52 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.14 -0.482 . . . . 44.210000000000001 110.907 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 54.6 t -129.67 113.83 28.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 74.120000000000005 111.122 179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 43.3 m170 -120.32 112.92 19.63 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 71.450000000000003 110.852 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 7.1 m170 -127.36 133.95 50.0 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.265 -0.425 . . . . 74.299999999999997 110.828 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.7 139.09 54.34 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.198 -0.456 . . . . 71.439999999999998 110.893 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . 0.537 ' C ' HD22 ' J' ' 17' ' ' LEU . 5.5 tttp -122.86 115.69 22.4 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.231 -0.441 . . . . 73.519999999999996 110.887 179.927 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.569 HD13 ' HB2' ' I' ' 17' ' ' LEU . 4.4 mm? -128.1 101.57 6.34 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.225 -0.443 . . . . 60.149999999999999 110.917 179.921 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.4 ' CG1' ' HB2' ' J' ' 21' ' ' ALA . 85.7 t -108.06 114.49 46.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.202 -0.454 . . . . 73.129999999999995 111.154 179.833 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.518 ' CE1' HD12 ' J' ' 17' ' ' LEU . 5.6 m-85 -114.6 105.43 13.06 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.202 -0.454 . . . . 74.430000000000007 110.894 -179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . 0.6 ' CZ ' HG22 ' I' ' 31' ' ' ILE . 4.1 m-30 59.01 81.24 0.17 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 73.010000000000005 110.948 -179.871 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . 0.4 ' HB2' ' CG1' ' J' ' 18' ' ' VAL . . . -94.88 114.36 26.2 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.135 -0.484 . . . . 75.239999999999995 111.092 179.98 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 63.6 108.74 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 55.229999999999997 110.89 180.0 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.712 HG11 ' OD1' ' J' ' 27' ' ' ASN . 90.6 t -124.71 122.2 63.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 72.400000000000006 111.166 179.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.82 -49.94 64.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.734 -0.746 . . . . 42.240000000000002 112.514 179.953 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 3.2 p -151.17 121.36 7.24 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.929 0.395 . . . . 74.340000000000003 110.836 -179.711 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . 0.712 ' OD1' HG11 ' J' ' 24' ' ' VAL . 11.5 m-20 -91.85 98.95 11.91 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.087 -0.506 . . . . 62.119999999999997 110.851 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 4.9 tptp -120.6 140.09 52.04 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 75.109999999999999 110.915 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 79.01 -140.36 23.03 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.73 -0.748 . . . . 63.299999999999997 112.513 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 0.432 ' HB3' ' HA ' ' I' ' 30' ' ' ALA . . . -83.05 114.31 21.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.811 0.339 . . . . 71.400000000000006 111.08 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.426 HG21 ' ND2' ' J' ' 27' ' ' ASN . 10.0 mm -113.55 108.04 24.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 60.030000000000001 111.155 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 36.3 mt -124.57 114.42 40.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 64.340000000000003 111.114 179.882 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -55.16 -41.31 78.06 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.749 -0.738 . . . . 72.310000000000002 112.478 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.827 ' C ' HD22 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -171.34 149.15 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.818 0.342 . . . . 63.310000000000002 110.906 -179.928 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . 0.599 ' N ' HD22 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -124.96 114.83 19.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 64.099999999999994 110.89 179.826 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.671 HG12 HD21 ' J' ' 34' ' ' LEU . 4.4 p -140.89 114.28 5.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.248 -0.433 . . . . 75.5 111.141 179.929 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.47 19.42 33.77 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.722 -0.751 . . . . 61.420000000000002 112.508 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -112.01 -168.44 18.08 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.727 -0.749 . . . . 53.509999999999998 112.464 -179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.637 HG23 ' O ' ' I' ' 39' ' ' VAL . 3.3 p -168.88 132.33 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.814 0.34 . . . . 72.239999999999995 111.12 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.503 HG22 ' HA ' ' I' ' 40' ' ' VAL . 34.2 m . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.199 -0.455 . . . . 74.340000000000003 111.119 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.799 0.333 . . . . 73.299999999999997 110.869 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -100.62 91.66 4.75 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.249 -0.432 . . . . 51.100000000000001 111.103 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.35 -30.21 38.17 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.248 -0.433 . . . . 72.120000000000005 110.945 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.657 ' CE2' ' HB2' ' F' ' 30' ' ' ALA . 0.2 OUTLIER -162.29 113.96 1.63 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.101 -0.499 . . . . 62.109999999999999 110.868 -179.897 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -135.53 108.51 7.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.171 -0.468 . . . . 73.540000000000006 110.865 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 55.0 t60 -111.71 109.2 18.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.207 -0.451 . . . . 74.319999999999993 110.861 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -111.3 102.45 10.85 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.226 -0.443 . . . . 72.430000000000007 110.816 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 7.8 t -149.14 176.82 10.15 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 75.430000000000007 110.88 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.09 -19.27 9.12 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.739 -0.743 . . . . 55.030000000000001 112.426 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -156.03 110.94 2.9 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.825 0.345 . . . . 74.209999999999994 110.924 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 3.3 tt0 -103.2 119.69 39.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.17 -0.468 . . . . 74.019999999999996 110.848 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 28.9 t -130.74 113.73 25.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.156 -0.475 . . . . 64.519999999999996 111.135 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -118.36 118.72 32.54 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 62.140000000000001 110.856 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -130.12 114.45 15.76 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.458 . . . . 74.230000000000004 110.882 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.453 ' HG3' HG12 ' F' ' 39' ' ' VAL . 0.0 OUTLIER -119.34 133.48 55.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.234 -0.439 . . . . 72.530000000000001 110.875 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 12.3 tttp -133.62 115.56 14.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 73.319999999999993 110.907 179.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.676 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.2 mm? -113.22 109.81 19.38 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 65.530000000000001 110.937 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.533 ' CG1' ' HB2' ' A' ' 21' ' ' ALA . 39.6 t -105.05 111.22 33.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 73.209999999999994 111.128 179.852 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.456 ' HE1' HD12 ' A' ' 17' ' ' LEU . 13.9 m-30 -102.19 105.39 16.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.136 -0.484 . . . . 65.430000000000007 110.892 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 57.48 92.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.474 . . . . 52.340000000000003 110.833 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.533 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . . . -114.19 137.63 51.51 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.163 -0.471 . . . . 55.450000000000003 111.119 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.88 86.21 0.07 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.288 -0.415 . . . . 64.340000000000003 110.843 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.617 HG22 ' H ' ' A' ' 26' ' ' SER . 7.6 p -122.86 129.63 75.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.234 -0.439 . . . . 62.0 111.116 179.981 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.91 -35.55 40.17 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.757 -0.735 . . . . 61.240000000000002 112.505 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.617 ' H ' HG22 ' A' ' 24' ' ' VAL . 0.5 OUTLIER 179.79 138.04 0.11 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.907 0.384 . . . . 61.350000000000001 110.859 -179.744 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 8.5 m-20 -100.2 100.03 10.81 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.137 -0.483 . . . . 62.409999999999997 110.908 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -113.95 150.27 34.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.143 -0.481 . . . . 71.439999999999998 110.891 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.85 -129.74 27.36 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.782 -0.723 . . . . 40.240000000000002 112.503 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.685 ' HB2' ' CE2' ' F' ' 4' ' ' PHE . . . -105.71 113.93 27.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.756 0.312 . . . . 60.450000000000003 111.09 179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.499 HD13 ' N ' ' A' ' 31' ' ' ILE . 0.0 OUTLIER -123.86 118.46 54.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.169 -0.469 . . . . 74.450000000000003 111.123 179.947 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mt -132.07 122.28 48.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.358 0 CA-C-N 116.167 -0.469 . . . . 73.319999999999993 111.104 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.01 -51.0 20.29 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.757 -0.735 . . . . 63.299999999999997 112.536 179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.78 HD13 ' N ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -158.78 159.2 34.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.769 0.319 . . . . 64.010000000000005 110.898 -179.901 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.417 ' HE1' ' HA ' ' A' ' 39' ' ' VAL . 2.4 ttp -133.31 122.98 24.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 72.239999999999995 110.87 179.81 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . . . . . . . . . 53.2 t -134.32 113.16 16.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.225 -0.443 . . . . 70.150000000000006 111.159 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.31 26.97 73.43 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.705 -0.76 . . . . 43.32 112.504 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -120.19 -173.82 15.18 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.776 -0.726 . . . . 74.439999999999998 112.449 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.773 HG13 HG23 ' B' ' 39' ' ' VAL . 12.5 p -164.24 151.0 2.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.887 0.375 . . . . 52.409999999999997 111.141 -179.966 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.72 ' HA ' HG22 ' B' ' 40' ' ' VAL . 18.1 m . . . . . 0 C--N 1.33 -0.258 0 CA-C-N 116.181 -0.463 . . . . 73.340000000000003 111.144 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.87 0.367 . . . . 44.100000000000001 110.89 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.18 91.9 5.2 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 43.039999999999999 111.134 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -52.67 -28.33 21.18 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.227 -0.442 . . . . 62.43 110.886 -179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.623 ' CE2' ' HB2' ' G' ' 30' ' ' ALA . 0.3 OUTLIER -162.72 114.32 1.55 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 71.340000000000003 110.863 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.8 mmm180 -133.09 108.5 8.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 74.310000000000002 110.858 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 68.1 t60 -111.15 110.44 20.96 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.168 -0.469 . . . . 73.230000000000004 110.838 -179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -112.42 101.83 9.99 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.174 -0.466 . . . . 74.340000000000003 110.856 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' C' ' 8' ' ' SER . 7.7 t -148.14 176.4 10.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 62.200000000000003 110.843 -179.761 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.35 -18.84 9.32 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.78 -0.724 . . . . 53.109999999999999 112.491 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -156.09 110.76 2.86 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.924 0.393 . . . . 62.210000000000001 110.942 -179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 3.6 tt0 -101.6 119.0 38.1 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.125 -0.489 . . . . 73.25 110.866 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 30.3 t -129.61 114.03 29.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.138 -0.483 . . . . 64.329999999999998 111.118 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 67.1 m170 -119.51 120.18 36.02 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.148 -0.478 . . . . 73.120000000000005 110.895 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -128.18 116.78 20.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.23 -0.441 . . . . 73.420000000000002 110.873 -179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.444 ' HG3' HG12 ' G' ' 39' ' ' VAL . 0.0 OUTLIER -119.74 132.29 55.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 75.540000000000006 110.919 -179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 12.0 tttp -131.77 115.99 16.68 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.451 . . . . 75.219999999999999 110.846 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.739 ' HB2' HD13 ' C' ' 17' ' ' LEU . 4.1 mm? -115.59 106.68 14.2 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 62.25 110.897 179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.499 ' CG1' ' HB2' ' B' ' 21' ' ' ALA . 40.7 t -103.23 109.85 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 30.34 111.139 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.492 ' HE1' HD12 ' B' ' 17' ' ' LEU . 12.5 m-30 -102.28 101.75 12.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 73.510000000000005 110.905 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 58.62 92.33 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.142 -0.481 . . . . 64.239999999999995 110.871 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.499 ' HB2' ' CG1' ' B' ' 18' ' ' VAL . . . -115.01 138.66 50.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.104 -0.498 . . . . 73.239999999999995 111.127 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.14 86.66 0.06 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 73.329999999999998 110.868 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.618 HG22 ' H ' ' B' ' 26' ' ' SER . 7.7 p -123.8 127.77 73.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.178 -0.465 . . . . 71.129999999999995 111.1 -179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.37 -34.34 41.27 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.717 -0.754 . . . . 75.219999999999999 112.5 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.618 ' H ' HG22 ' B' ' 24' ' ' VAL . 0.5 OUTLIER -179.13 138.39 0.14 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.806 0.336 . . . . 64.340000000000003 110.869 -179.745 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 8.9 m-20 -100.96 99.56 10.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.146 -0.479 . . . . 63.009999999999998 110.889 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.45 153.58 30.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.123 -0.489 . . . . 54.229999999999997 110.939 179.869 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.65 -128.67 29.87 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.753 -0.737 . . . . 74.310000000000002 112.48 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.596 ' HB2' ' CE2' ' G' ' 4' ' ' PHE . . . -104.73 114.18 28.23 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.816 0.341 . . . . 74.5 111.085 179.985 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.539 ' N ' HD13 ' B' ' 31' ' ' ILE . 0.0 OUTLIER -121.59 115.19 45.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.161 -0.472 . . . . 74.049999999999997 111.169 179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -131.27 122.05 50.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 44.140000000000001 111.126 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.74 -50.47 31.49 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.738 -0.744 . . . . 75.099999999999994 112.509 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.785 ' N ' HD13 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -158.49 155.93 29.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.804 0.335 . . . . 52.25 110.924 -179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttp -128.1 120.84 28.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 73.319999999999993 110.858 179.842 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . . . . . . . . . 63.8 t -137.06 112.83 11.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.192 -0.458 . . . . 74.140000000000001 111.101 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.38 28.62 73.67 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.708 -0.758 . . . . 70.430000000000007 112.456 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.03 -174.76 15.99 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.746 -0.74 . . . . 72.129999999999995 112.472 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.852 HG13 HG23 ' C' ' 39' ' ' VAL . 14.5 p -164.69 150.03 2.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.907 0.385 . . . . 74.329999999999998 111.103 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.753 ' HA ' HG22 ' C' ' 40' ' ' VAL . 13.8 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 72.549999999999997 111.125 179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.814 0.34 . . . . 75.329999999999998 110.88 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.81 92.03 5.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 53.030000000000001 111.105 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.67 -28.12 31.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 71.129999999999995 110.892 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . 0.629 ' CE2' ' HB2' ' H' ' 30' ' ' ALA . 0.2 OUTLIER -162.54 114.12 1.58 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.127 -0.488 . . . . 71.510000000000005 110.902 -179.929 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -131.34 108.58 9.74 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 63.520000000000003 110.874 -179.882 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 68.0 t60 -111.54 109.44 19.36 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 74.230000000000004 110.832 -179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -111.53 101.92 10.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.205 -0.452 . . . . 64.319999999999993 110.861 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' B' ' 8' ' ' SER . 7.7 t -148.58 176.02 10.68 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.201 -0.454 . . . . 63.200000000000003 110.873 -179.784 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.66 -18.4 9.56 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.802 -0.713 . . . . 72.420000000000002 112.511 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -155.91 110.99 2.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.88 0.371 . . . . 65.340000000000003 110.895 -179.784 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -100.97 119.12 38.26 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.121 -0.49 . . . . 63.530000000000001 110.898 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 30.2 t -128.17 113.91 32.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 70.209999999999994 111.106 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 66.6 m170 -120.28 118.56 30.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.201 -0.454 . . . . 71.200000000000003 110.841 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -127.5 117.06 21.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.226 -0.443 . . . . 61.329999999999998 110.882 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -119.67 131.98 55.56 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 74.140000000000001 110.931 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 11.8 tttp -128.86 116.28 19.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.207 -0.451 . . . . 62.329999999999998 110.879 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.739 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.3 mm? -117.95 104.96 11.41 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.261 -0.427 . . . . 65.549999999999997 110.952 179.893 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.463 ' CG1' ' HB2' ' C' ' 21' ' ' ALA . 41.5 t -102.71 110.06 28.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.187 -0.461 . . . . 72.540000000000006 111.145 179.87 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.5 ' HE1' HD12 ' C' ' 17' ' ' LEU . 10.5 m-30 -102.37 100.94 11.14 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.193 -0.458 . . . . 71.25 110.908 -179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 57.83 92.49 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 74.230000000000004 110.825 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.463 ' HB2' ' CG1' ' C' ' 18' ' ' VAL . . . -116.7 138.28 51.57 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 73.019999999999996 111.089 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.49 86.81 0.06 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.255 -0.43 . . . . 73.230000000000004 110.821 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.621 HG22 ' H ' ' C' ' 26' ' ' SER . 7.5 p -124.63 127.31 72.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 62.329999999999998 111.142 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.68 -34.12 35.54 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.735 -0.745 . . . . 72.530000000000001 112.467 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.621 ' H ' HG22 ' C' ' 24' ' ' VAL . 0.5 OUTLIER -178.85 138.43 0.15 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.915 0.388 . . . . 74.25 110.807 -179.766 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 11.0 m-20 -101.33 99.81 10.23 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.077 -0.511 . . . . 73.299999999999997 110.859 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -116.18 154.34 30.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 72.010000000000005 110.9 179.909 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.85 -128.3 28.9 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.713 -0.756 . . . . 50.119999999999997 112.49 179.924 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.579 ' HB2' ' CE2' ' H' ' 4' ' ' PHE . . . -104.47 113.53 27.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.748 0.309 . . . . 74.430000000000007 111.11 179.962 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.561 HD13 ' N ' ' C' ' 31' ' ' ILE . 0.0 OUTLIER -119.79 113.09 39.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.202 -0.454 . . . . 60.509999999999998 111.128 179.976 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -129.72 121.74 53.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 60.509999999999998 111.118 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.41 ' C ' HD13 ' C' ' 34' ' ' LEU . . . -50.25 -51.23 31.83 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.755 -0.735 . . . . 62.109999999999999 112.521 179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.798 HD13 ' N ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -156.64 154.81 30.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.868 0.366 . . . . 54.030000000000001 110.88 -179.938 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.5 ttp -127.82 119.46 25.73 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 63.340000000000003 110.898 179.819 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . . . . . . . . . 72.7 t -137.57 112.01 9.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.251 -0.431 . . . . 75.340000000000003 111.127 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.4 30.05 75.93 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.707 -0.758 . . . . 72.439999999999998 112.537 179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.29 -174.61 16.4 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.724 -0.75 . . . . 60.109999999999999 112.507 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.866 HG13 HG23 ' D' ' 39' ' ' VAL . 14.6 p -164.42 150.24 2.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.922 0.391 . . . . 73.340000000000003 111.107 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.753 HG22 ' HA ' ' B' ' 40' ' ' VAL . 12.3 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 74.310000000000002 111.165 179.915 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.813 0.34 . . . . 74.349999999999994 110.874 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.91 91.95 5.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 72.319999999999993 111.11 179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.92 -27.83 33.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.202 -0.454 . . . . 74.140000000000001 110.855 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . 0.642 ' CE2' ' HB2' ' I' ' 30' ' ' ALA . 0.2 OUTLIER -161.81 114.18 1.77 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.164 -0.471 . . . . 73.340000000000003 110.891 -179.869 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -130.4 108.32 9.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.117 -0.492 . . . . 74.5 110.913 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 68.7 t60 -112.47 108.99 18.31 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.452 . . . . 75.040000000000006 110.869 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -110.6 101.88 10.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.155 -0.475 . . . . 73.120000000000005 110.852 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . 0.416 ' HA ' ' O ' ' C' ' 8' ' ' SER . 7.7 t -149.29 174.52 12.33 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.15 -0.477 . . . . 73.219999999999999 110.849 -179.76 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.15 -17.08 10.43 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.785 -0.721 . . . . 60.530000000000001 112.509 -179.976 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -155.77 110.39 2.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.821 0.343 . . . . 64.230000000000004 110.911 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -100.29 119.69 38.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.109 -0.496 . . . . 73.430000000000007 110.928 179.991 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 30.2 t -127.18 114.24 35.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.145 -0.48 . . . . 74.299999999999997 111.158 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 66.1 m170 -121.51 117.4 26.73 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.156 -0.475 . . . . 72.230000000000004 110.884 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -127.39 117.68 22.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 65.030000000000001 110.853 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -120.0 132.44 55.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 55.509999999999998 110.943 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.423 ' C ' HD22 ' D' ' 17' ' ' LEU . 12.3 tttp -127.18 115.68 19.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.203 -0.453 . . . . 72.010000000000005 110.874 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.686 HD13 ' HB2' ' C' ' 17' ' ' LEU . 4.3 mm? -120.58 103.92 9.53 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.232 -0.44 . . . . 72.209999999999994 110.887 179.894 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.536 ' CG1' ' HB2' ' D' ' 21' ' ' ALA . 40.0 t -102.92 112.01 34.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.135 -0.484 . . . . 61.149999999999999 111.155 179.798 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.519 ' HE1' HD12 ' D' ' 17' ' ' LEU . 9.4 m-30 -101.84 101.07 11.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.225 -0.443 . . . . 71.400000000000006 110.847 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 58.15 92.16 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.152 -0.476 . . . . 70.420000000000002 110.891 -179.928 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . 0.536 ' HB2' ' CG1' ' D' ' 18' ' ' VAL . . . -116.79 139.52 50.49 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 44.409999999999997 111.082 179.917 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.82 85.91 0.07 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 62.119999999999997 110.872 179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.602 HG22 ' H ' ' D' ' 26' ' ' SER . 7.5 p -125.39 126.7 71.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.148 -0.478 . . . . 73.310000000000002 111.121 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.21 -34.34 40.08 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.718 -0.753 . . . . 63.43 112.536 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . 0.602 ' H ' HG22 ' D' ' 24' ' ' VAL . 0.5 OUTLIER -178.99 138.46 0.15 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.913 0.387 . . . . 74.319999999999993 110.865 -179.782 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 15.0 m-20 -99.58 99.99 10.94 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.116 -0.493 . . . . 72.409999999999997 110.918 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -114.93 154.26 29.05 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.187 -0.46 . . . . 74.040000000000006 110.878 179.912 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.66 -128.54 29.69 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.738 -0.744 . . . . 65.329999999999998 112.438 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.659 ' HB2' ' CE2' ' I' ' 4' ' ' PHE . . . -104.41 113.3 26.77 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.774 0.321 . . . . 51.439999999999998 111.13 179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.515 ' N ' HD13 ' D' ' 31' ' ' ILE . 0.0 OUTLIER -117.56 113.5 42.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 74.430000000000007 111.109 -179.988 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -129.41 121.16 52.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.219 -0.446 . . . . 45.109999999999999 111.13 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . 0.487 ' C ' HD13 ' D' ' 34' ' ' LEU . . . -50.65 -51.87 31.47 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.746 -0.74 . . . . 61.450000000000003 112.485 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.776 ' N ' HD13 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -155.22 153.43 30.67 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.804 0.335 . . . . 63.039999999999999 110.939 -179.886 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 2.6 mtp -128.33 118.53 23.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.199 -0.455 . . . . 73.409999999999997 110.892 179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . . . . . . . . . 76.9 t -138.18 111.53 7.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.209 -0.45 . . . . 53.039999999999999 111.093 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.88 30.3 76.84 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.712 -0.756 . . . . 74.420000000000002 112.476 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.23 -173.91 16.75 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.682 -0.771 . . . . 74.450000000000003 112.433 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.875 HG13 HG23 ' E' ' 39' ' ' VAL . 12.9 p -163.16 150.79 3.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.872 0.368 . . . . 71.140000000000001 111.125 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.73 HG22 ' HA ' ' C' ' 40' ' ' VAL . 12.7 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.173 -0.467 . . . . 45.409999999999997 111.099 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.822 0.344 . . . . 72.310000000000002 110.874 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.3 91.87 5.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 54.229999999999997 111.136 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . 0.407 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . 1.5 mp0 -53.7 -27.77 29.92 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 71.299999999999997 110.89 -179.908 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . 0.638 ' CE2' ' HB2' ' J' ' 30' ' ' ALA . 0.2 OUTLIER -160.67 115.24 2.16 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.174 -0.466 . . . . 65.450000000000003 110.876 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -129.14 107.67 9.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.131 -0.486 . . . . 62.219999999999999 110.859 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 67.2 t60 -112.73 108.76 17.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 74.030000000000001 110.863 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -108.68 101.1 10.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.229 -0.441 . . . . 51.43 110.877 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 7.5 t -152.34 169.79 21.67 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.23 -0.441 . . . . 75.349999999999994 110.865 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -109.54 -14.15 15.02 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.731 -0.747 . . . . 50.229999999999997 112.511 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -153.37 108.77 3.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.345 . . . . 73.209999999999994 110.92 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -101.1 120.81 40.75 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.117 -0.492 . . . . 61.030000000000001 110.874 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 30.0 t -125.4 114.34 39.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 52.549999999999997 111.137 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 64.8 m170 -122.82 115.82 22.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 70.340000000000003 110.887 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -128.5 120.39 26.69 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 75.310000000000002 110.828 -179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.74 133.61 54.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.179 -0.464 . . . . 72.420000000000002 110.934 -179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . 0.481 ' O ' HD22 ' E' ' 17' ' ' LEU . 11.3 tttp -125.64 115.76 20.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 71.239999999999995 110.898 179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.641 HD13 ' HB2' ' D' ' 17' ' ' LEU . 4.5 mm? -123.16 104.04 8.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.259 -0.428 . . . . 70.420000000000002 110.899 179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.56 ' CG1' ' HB2' ' E' ' 21' ' ' ALA . 40.1 t -102.04 114.75 42.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.219 -0.446 . . . . 64.439999999999998 111.111 179.857 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.466 ' HE1' HD12 ' E' ' 17' ' ' LEU . 9.3 m-30 -102.67 97.32 7.52 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.21 -0.45 . . . . 72.239999999999995 110.911 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 58.99 90.75 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 72.400000000000006 110.86 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . 0.56 ' HB2' ' CG1' ' E' ' 18' ' ' VAL . . . -114.99 139.59 49.72 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.162 -0.472 . . . . 65.0 111.13 179.881 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.67 85.97 0.06 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.219 -0.446 . . . . 63.329999999999998 110.856 179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.584 HG22 ' H ' ' E' ' 26' ' ' SER . 7.6 p -124.11 124.58 69.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 72.310000000000002 111.137 -179.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.26 -32.96 37.73 Favored Glycine 0 N--CA 1.45 -0.383 0 C-N-CA 120.751 -0.738 . . . . 41.409999999999997 112.498 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . 0.584 ' H ' HG22 ' E' ' 24' ' ' VAL . 0.5 OUTLIER -179.0 136.58 0.13 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.852 0.358 . . . . 74.510000000000005 110.909 -179.75 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.532 ' OD1' HG21 ' E' ' 24' ' ' VAL . 22.6 m-20 -98.91 99.43 10.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.177 -0.465 . . . . 72.519999999999996 110.902 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -115.91 155.07 28.63 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.161 -0.472 . . . . 73.400000000000006 110.892 179.919 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.13 -130.63 29.96 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.737 -0.745 . . . . 52.32 112.481 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.652 ' HB2' ' CE2' ' J' ' 4' ' ' PHE . . . -101.82 114.64 28.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.746 0.308 . . . . 71.109999999999999 111.107 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.473 HG22 HG13 ' D' ' 31' ' ' ILE . 0.0 OUTLIER -115.46 114.2 45.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.205 -0.452 . . . . 64.409999999999997 111.13 179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -129.22 117.54 43.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.16 -0.473 . . . . 73.150000000000006 111.076 179.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . 0.59 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -51.82 -48.19 51.53 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.673 -0.775 . . . . 74.549999999999997 112.492 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.747 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -155.22 154.04 31.6 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.805 0.336 . . . . 60.130000000000003 110.921 -179.956 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.401 ' H ' HD22 ' D' ' 34' ' ' LEU . 2.7 mtp -130.5 118.1 20.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.178 -0.465 . . . . 64.030000000000001 110.866 179.827 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . . . . . . . . . 58.5 t -142.62 111.02 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.19 -0.459 . . . . 63.450000000000003 111.127 179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.28 30.59 78.25 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.736 -0.745 . . . . 64.019999999999996 112.475 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.2 -173.39 16.53 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.774 -0.726 . . . . 71.329999999999998 112.435 -179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.875 HG23 HG13 ' D' ' 39' ' ' VAL . 12.1 p -162.14 150.72 4.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.846 0.355 . . . . 55.210000000000001 111.158 -179.958 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.695 HG22 ' HA ' ' D' ' 40' ' ' VAL . 15.4 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.469 . . . . 74.349999999999994 111.118 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.042 0 CA-C-O 120.864 0.364 . . . . 71.340000000000003 110.862 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.83 91.55 5.13 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 74.030000000000001 111.088 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.59 -29.67 38.69 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.226 -0.443 . . . . 70.420000000000002 110.908 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . 0.685 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -161.32 114.18 1.9 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 74.109999999999999 110.926 -179.946 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -134.1 108.73 8.49 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 74.209999999999994 110.867 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 56.3 t60 -111.05 109.14 19.11 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 54.549999999999997 110.897 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -111.21 102.27 10.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 72.239999999999995 110.866 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 7.8 t -149.51 176.54 10.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.169 -0.469 . . . . 74.530000000000001 110.892 -179.754 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.4 -19.3 8.95 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.784 -0.722 . . . . 62.109999999999999 112.498 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -156.02 110.93 2.9 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.822 0.344 . . . . 74.430000000000007 110.969 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 3.0 tt0 -102.59 119.44 38.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.141 -0.481 . . . . 71.140000000000001 110.87 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 29.8 t -129.8 114.07 29.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.171 -0.468 . . . . 53.530000000000001 111.163 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 66.6 m170 -117.95 118.96 33.37 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.126 -0.488 . . . . 73.409999999999997 110.877 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -131.46 112.91 13.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 71.439999999999998 110.86 -179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . 0.43 ' HG3' HG12 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -119.52 133.51 55.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 72.310000000000002 110.893 -179.908 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -133.9 115.65 14.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 75.049999999999997 110.912 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.68 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.3 mm? -113.12 110.13 19.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.228 -0.442 . . . . 74.120000000000005 110.922 179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.541 ' CG1' ' HB2' ' F' ' 21' ' ' ALA . 39.2 t -105.44 111.68 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 62.409999999999997 111.178 179.834 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.429 ' HD2' HD12 ' G' ' 34' ' ' LEU . 14.2 m-30 -102.17 105.71 16.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 72.129999999999995 110.911 -179.96 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 5.1 m-30 57.49 92.17 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 72.209999999999994 110.848 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . 0.541 ' HB2' ' CG1' ' F' ' 18' ' ' VAL . . . -114.68 138.35 50.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.117 -0.492 . . . . 75.030000000000001 111.099 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.55 85.93 0.07 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.233 -0.44 . . . . 63.119999999999997 110.858 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.609 HG22 ' H ' ' F' ' 26' ' ' SER . 7.7 p -123.08 129.69 74.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.238 -0.437 . . . . 65.019999999999996 111.141 179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.04 -35.92 42.1 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.724 -0.75 . . . . 34.43 112.5 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . 0.609 ' H ' HG22 ' F' ' 24' ' ' VAL . 0.5 OUTLIER 179.98 136.73 0.11 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.872 0.368 . . . . 63.340000000000003 110.873 -179.809 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 8.3 m-20 -98.91 99.7 10.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.108 -0.496 . . . . 75.219999999999999 110.866 -179.916 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -113.45 150.62 32.54 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 73.019999999999996 110.874 179.918 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.57 -131.89 29.43 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.718 -0.753 . . . . 43.530000000000001 112.517 179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.657 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . . . -103.55 113.43 26.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.769 0.318 . . . . 73.019999999999996 111.134 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.497 HD13 ' N ' ' F' ' 31' ' ' ILE . 0.0 OUTLIER -123.67 119.16 56.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 65.109999999999999 111.131 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.8 mt -132.49 122.36 47.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.16 -0.473 . . . . 72.530000000000001 111.164 179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.95 -51.28 19.28 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 31.02 112.461 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.784 HD13 ' N ' ' F' ' 34' ' ' LEU . 0.0 OUTLIER -158.85 158.86 34.27 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.79 0.329 . . . . 71.129999999999995 110.931 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttp -132.93 122.76 24.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 73.239999999999995 110.864 179.841 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . . . . . . . . . 53.0 t -134.22 112.92 16.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 72.140000000000001 111.139 179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.29 26.86 73.61 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.753 -0.737 . . . . 43.140000000000001 112.492 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.44 -173.74 15.5 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 64.439999999999998 112.454 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.756 HG13 HG23 ' G' ' 39' ' ' VAL . 12.1 p -164.85 151.85 2.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.353 . . . . 54.420000000000002 111.14 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.727 ' HA ' HG22 ' G' ' 40' ' ' VAL . 18.3 m . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.474 . . . . 62.009999999999998 111.128 179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.814 0.34 . . . . 73.400000000000006 110.853 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.54 91.48 5.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 61.409999999999997 111.115 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -52.7 -28.86 23.68 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.222 -0.445 . . . . 75.040000000000006 110.886 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 4' ' ' PHE . . . . . 0.596 ' CE2' ' HB2' ' B' ' 30' ' ' ALA . 0.3 OUTLIER -162.84 114.57 1.54 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.187 -0.461 . . . . 75.230000000000004 110.926 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 2.9 mmm180 -132.47 108.4 9.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 62.409999999999997 110.893 -179.866 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 69.0 t60 -110.43 109.8 20.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.23 -0.441 . . . . 73.200000000000003 110.882 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -111.68 101.49 9.86 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.435 . . . . 75.540000000000006 110.845 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . 0.421 ' O ' ' HA ' ' H' ' 8' ' ' SER . 7.7 t -148.37 176.25 10.43 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.175 -0.466 . . . . 70.319999999999993 110.838 -179.79 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.57 -18.81 9.23 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.766 -0.731 . . . . 65.340000000000003 112.536 -179.996 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 2.4 m-85 -156.11 110.49 2.82 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.862 0.363 . . . . 75.400000000000006 110.944 -179.824 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 3.4 tt0 -100.92 118.94 37.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.124 -0.489 . . . . 64.030000000000001 110.859 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 30.6 t -128.66 114.06 31.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 60.409999999999997 111.158 179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 67.3 m170 -119.2 119.45 34.15 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 75.510000000000005 110.845 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -128.89 116.33 19.24 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.164 -0.471 . . . . 73.030000000000001 110.879 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . 0.424 ' HG3' HG12 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -120.72 132.41 55.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 75.340000000000003 110.903 -179.93 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 12.4 tttp -131.8 116.31 17.08 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.181 -0.463 . . . . 50.350000000000001 110.882 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.715 ' HB2' HD13 ' H' ' 17' ' ' LEU . 4.1 mm? -115.47 106.99 14.6 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 71.439999999999998 110.934 179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.506 ' CG1' ' HB2' ' G' ' 21' ' ' ALA . 41.2 t -103.55 110.35 29.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.145 -0.479 . . . . 73.349999999999994 111.105 179.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.488 ' HE1' HD12 ' G' ' 17' ' ' LEU . 12.6 m-30 -102.32 102.21 12.56 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.134 -0.485 . . . . 61.219999999999999 110.87 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 4.6 m-30 58.56 92.31 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 71.219999999999999 110.879 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . 0.506 ' HB2' ' CG1' ' G' ' 18' ' ' VAL . . . -115.3 138.72 50.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.119 -0.491 . . . . 64.010000000000005 111.103 179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.07 86.49 0.06 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.251 -0.432 . . . . 70.25 110.86 -179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.619 HG22 ' H ' ' G' ' 26' ' ' SER . 7.7 p -123.7 127.62 74.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 73.150000000000006 111.111 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.29 -34.34 40.67 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.748 -0.739 . . . . 74.299999999999997 112.488 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . 0.619 ' H ' HG22 ' G' ' 24' ' ' VAL . 0.6 OUTLIER -179.05 137.45 0.14 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.879 0.371 . . . . 54.43 110.857 -179.697 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -100.9 98.95 9.38 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.13 -0.486 . . . . 71.340000000000003 110.835 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.16 154.71 28.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.159 -0.473 . . . . 72.129999999999995 110.896 179.864 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.17 -129.42 31.86 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.715 -0.755 . . . . 74.040000000000006 112.488 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.623 ' HB2' ' CE2' ' B' ' 4' ' ' PHE . . . -104.02 113.84 27.66 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.775 0.322 . . . . 75.450000000000003 111.12 179.978 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.535 ' N ' HD13 ' G' ' 31' ' ' ILE . 0.0 OUTLIER -121.49 115.85 47.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 64.409999999999997 111.128 179.949 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 3.7 mt -131.53 122.02 49.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 64.25 111.148 179.829 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.58 -51.08 28.93 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.715 -0.755 . . . . 44.520000000000003 112.502 179.922 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.796 ' N ' HD13 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -158.32 156.17 30.11 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.8 0.333 . . . . 53.340000000000003 110.921 -179.91 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttp -128.43 120.73 27.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.176 -0.466 . . . . 62.32 110.895 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . . . . . . . . . 66.4 t -136.79 112.26 11.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.23 -0.441 . . . . 73.310000000000002 111.101 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.43 28.94 73.68 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.746 -0.74 . . . . 34.109999999999999 112.535 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.11 -174.52 15.88 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.727 -0.749 . . . . 74.5 112.505 -179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.849 HG13 HG23 ' H' ' 39' ' ' VAL . 14.6 p -164.73 150.46 2.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-O 120.899 0.38 . . . . 74.319999999999993 111.102 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.727 HG22 ' HA ' ' F' ' 40' ' ' VAL . 13.6 m . . . . . 0 C--N 1.33 -0.276 0 CA-C-N 116.166 -0.47 . . . . 53.509999999999998 111.103 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.23 0.046 0 CA-C-O 120.856 0.36 . . . . 72.299999999999997 110.89 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.73 91.72 5.23 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.146 -0.479 . . . . 75.439999999999998 111.105 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.65 -29.07 36.72 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.164 -0.471 . . . . 65.439999999999998 110.925 -179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 4' ' ' PHE . . . . . 0.579 ' CE2' ' HB2' ' C' ' 30' ' ' ALA . 0.2 OUTLIER -161.85 114.75 1.81 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.163 -0.471 . . . . 74.030000000000001 110.894 -179.916 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -131.45 108.56 9.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 72.430000000000007 110.859 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 69.3 t60 -111.34 109.28 19.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.464 . . . . 75.319999999999993 110.851 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -111.45 101.85 10.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 70.299999999999997 110.839 179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . 0.421 ' HA ' ' O ' ' G' ' 8' ' ' SER . 7.6 t -148.64 175.84 10.85 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.175 -0.466 . . . . 64.340000000000003 110.854 -179.779 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.64 -18.48 9.5 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.752 -0.737 . . . . 32.43 112.457 -179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 2.3 m-85 -155.99 110.75 2.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.836 0.35 . . . . 75.329999999999998 110.965 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -100.44 118.99 37.79 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.132 -0.485 . . . . 71.099999999999994 110.874 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 31.1 t -127.73 114.26 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.47 . . . . 63.140000000000001 111.137 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 66.2 m170 -120.09 118.55 30.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.167 -0.469 . . . . 71.540000000000006 110.885 179.951 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -128.28 116.75 20.32 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.235 -0.438 . . . . 74.219999999999999 110.822 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -121.02 132.28 54.8 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 71.25 110.932 -179.944 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 12.5 tttp -129.36 116.45 19.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.235 -0.439 . . . . 52.530000000000001 110.871 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.715 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.2 mm? -117.15 105.25 12.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.25 -0.432 . . . . 64.319999999999993 110.869 179.935 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.482 ' CG1' ' HB2' ' H' ' 21' ' ' ALA . 41.7 t -102.8 110.06 28.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.15 -0.477 . . . . 62.509999999999998 111.098 179.855 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.526 ' HE1' HD12 ' H' ' 17' ' ' LEU . 10.9 m-30 -102.1 101.1 11.41 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 74.239999999999995 110.853 -179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 57.88 91.84 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.144 -0.48 . . . . 63.399999999999999 110.897 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . 0.482 ' HB2' ' CG1' ' H' ' 18' ' ' VAL . . . -116.27 138.74 51.05 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.183 -0.462 . . . . 64.109999999999999 111.066 179.955 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.3 86.53 0.06 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 73.129999999999995 110.872 179.974 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.62 HG22 ' H ' ' H' ' 26' ' ' SER . 7.5 p -124.21 126.98 73.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 64.140000000000001 111.141 179.957 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.05 -33.92 38.04 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.71 -0.757 . . . . 72.310000000000002 112.502 179.94 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . 0.62 ' H ' HG22 ' H' ' 24' ' ' VAL . 0.5 OUTLIER -178.6 137.39 0.16 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.913 0.387 . . . . 44.219999999999999 110.831 -179.759 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . 0.401 ' OD1' HG21 ' H' ' 24' ' ' VAL . 11.7 m-20 -101.15 98.98 9.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.162 -0.472 . . . . 75.219999999999999 110.892 -179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -115.32 155.35 27.48 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.159 -0.473 . . . . 72.439999999999998 110.924 179.921 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.23 -129.0 31.4 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.763 -0.732 . . . . 53.240000000000002 112.495 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . 0.629 ' HB2' ' CE2' ' C' ' 4' ' ' PHE . . . -104.0 113.56 27.19 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.719 0.295 . . . . 72.430000000000007 111.098 -179.998 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.553 HD13 ' N ' ' H' ' 31' ' ' ILE . 0.0 OUTLIER -119.43 114.0 42.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 116.244 -0.434 . . . . 75.450000000000003 111.104 180.0 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -130.28 121.45 51.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.163 -0.471 . . . . 65.299999999999997 111.137 179.86 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . 0.423 ' C ' HD13 ' H' ' 34' ' ' LEU . . . -50.06 -51.81 28.84 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.742 -0.742 . . . . 71.019999999999996 112.537 179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.8 HD13 ' N ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -156.46 154.84 31.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.796 0.331 . . . . 74.510000000000005 110.928 -179.926 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 2.4 ttp -127.99 119.39 25.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.181 -0.463 . . . . 62.030000000000001 110.92 179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . . . . . . . . . 71.8 t -137.27 112.07 10.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.268 -0.424 . . . . 70.019999999999996 111.149 179.975 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.7 30.41 77.25 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.783 -0.722 . . . . 73.510000000000005 112.495 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.3 -174.18 16.24 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.742 -0.742 . . . . 61.329999999999998 112.493 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.899 HG13 HG23 ' I' ' 39' ' ' VAL . 13.2 p -164.46 151.24 2.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 54.140000000000001 111.169 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . 0.727 HG22 ' HA ' ' G' ' 40' ' ' VAL . 13.6 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.466 . . . . 73.219999999999999 111.102 179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.848 0.356 . . . . 74.310000000000002 110.84 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.42 91.69 5.31 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.439 . . . . 64.299999999999997 111.048 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.47 -28.91 33.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 71.120000000000005 110.891 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 4' ' ' PHE . . . . . 0.659 ' CE2' ' HB2' ' D' ' 30' ' ' ALA . 0.2 OUTLIER -161.79 114.84 1.83 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 73.430000000000007 110.854 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -130.36 108.38 9.95 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.161 -0.472 . . . . 63.100000000000001 110.823 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 68.9 t60 -111.75 108.73 18.26 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 72.109999999999999 110.871 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -110.5 101.91 10.56 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.261 -0.427 . . . . 74.430000000000007 110.882 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . 0.419 ' HA ' ' O ' ' H' ' 8' ' ' SER . 7.7 t -149.41 174.49 12.4 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 62.549999999999997 110.857 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.82 -17.34 10.43 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.738 -0.744 . . . . 63.539999999999999 112.495 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 2.2 m-85 -155.91 111.05 2.94 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.85 0.357 . . . . 72.540000000000006 110.93 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -100.42 119.81 39.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.076 -0.511 . . . . 60.340000000000003 110.867 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 31.7 t -127.12 114.26 36.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.095 -0.502 . . . . 71.549999999999997 111.124 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 65.9 m170 -121.56 117.92 27.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.168 -0.469 . . . . 73.209999999999994 110.807 179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -128.72 117.74 21.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.228 -0.442 . . . . 60.350000000000001 110.839 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -122.11 132.06 54.29 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 75.25 110.9 -179.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . 0.408 ' C ' HD22 ' I' ' 17' ' ' LEU . 12.6 tttp -127.07 116.22 20.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.209 -0.45 . . . . 72.140000000000001 110.908 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.704 HD13 ' HB2' ' H' ' 17' ' ' LEU . 4.2 mm? -119.19 104.23 10.23 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.175 -0.466 . . . . 73.219999999999999 110.937 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . 0.541 ' CG1' ' HB2' ' I' ' 21' ' ' ALA . 40.4 t -102.52 111.89 33.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.477 . . . . 71.239999999999995 111.155 179.819 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . 0.49 ' HE1' HD12 ' I' ' 17' ' ' LEU . 10.0 m-30 -101.7 99.97 10.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.122 -0.49 . . . . 64.129999999999995 110.885 -179.95 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 4.4 m-30 58.99 91.75 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 73.310000000000002 110.895 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . 0.541 ' HB2' ' CG1' ' I' ' 18' ' ' VAL . . . -117.19 139.31 50.92 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 71.450000000000003 111.095 179.959 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 56.61 86.16 0.07 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.177 -0.465 . . . . 73.150000000000006 110.87 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.605 HG22 ' H ' ' I' ' 26' ' ' SER . 7.1 p -126.02 126.19 69.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.217 -0.447 . . . . 63.520000000000003 111.129 -179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.89 -34.39 37.69 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.793 -0.718 . . . . 65.510000000000005 112.462 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . 0.605 ' H ' HG22 ' I' ' 24' ' ' VAL . 0.5 OUTLIER -178.37 137.77 0.17 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.958 0.409 . . . . 73.150000000000006 110.84 -179.742 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . 0.4 ' OD1' HG21 ' I' ' 24' ' ' VAL . 13.8 m-20 -99.59 99.4 10.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.08 -0.509 . . . . 75.230000000000004 110.928 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.51 155.36 26.58 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.169 -0.469 . . . . 74.230000000000004 110.863 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.97 -130.32 33.04 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.744 . . . . 63.420000000000002 112.455 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.642 ' HB2' ' CE2' ' D' ' 4' ' ' PHE . . . -103.08 113.49 27.01 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.734 0.302 . . . . 75.219999999999999 111.065 -179.968 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.522 ' N ' HD13 ' I' ' 31' ' ' ILE . 0.0 OUTLIER -117.31 114.47 45.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.218 -0.446 . . . . 71.219999999999999 111.111 179.974 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -129.96 121.07 51.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 62.020000000000003 111.107 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . 0.499 ' C ' HD13 ' I' ' 34' ' ' LEU . . . -50.55 -52.56 28.45 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.754 -0.736 . . . . 72.409999999999997 112.47 179.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.777 ' N ' HD13 ' I' ' 34' ' ' LEU . 0.0 OUTLIER -154.9 153.68 31.48 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.786 0.327 . . . . 75.129999999999995 110.949 -179.909 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 2.6 mtp -128.64 118.63 23.26 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.182 -0.463 . . . . 42.420000000000002 110.917 179.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . . . . . . . . . 73.8 t -138.49 111.12 6.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.248 -0.433 . . . . 62.340000000000003 111.132 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.14 30.11 76.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.78 -0.724 . . . . 71.129999999999995 112.494 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -116.7 -173.55 16.88 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.711 -0.757 . . . . 71.319999999999993 112.514 -179.938 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 0.899 HG23 HG13 ' H' ' 39' ' ' VAL . 12.2 p -163.76 151.35 2.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.891 0.377 . . . . 74.349999999999994 111.087 -179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . 0.719 HG22 ' HA ' ' H' ' 40' ' ' VAL . 14.3 m . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 60.210000000000001 111.122 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.821 0.343 . . . . 74.430000000000007 110.822 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.8 91.67 5.19 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.195 -0.457 . . . . 53.450000000000003 111.089 179.956 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -53.05 -29.24 28.73 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 72.430000000000007 110.858 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' J' J ' 4' ' ' PHE . . . . . 0.652 ' CE2' ' HB2' ' E' ' 30' ' ' ALA . 0.2 OUTLIER -161.03 115.31 2.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 61.530000000000001 110.926 -179.918 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 3.1 mmm180 -129.45 108.11 10.01 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 74.109999999999999 110.892 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 67.5 t60 -112.79 108.59 17.63 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 61.399999999999999 110.9 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -108.91 101.39 10.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.192 -0.458 . . . . 72.319999999999993 110.841 -179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 7.7 t -151.73 169.54 21.95 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 62.039999999999999 110.881 -179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -108.37 -15.05 14.67 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.803 -0.713 . . . . 55.530000000000001 112.482 -179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -154.25 109.08 3.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.833 0.349 . . . . 74.420000000000002 110.943 -179.828 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 4.0 tt0 -99.58 120.56 39.86 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.137 -0.483 . . . . 63.5 110.881 -179.923 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 31.0 t -125.16 114.19 38.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.199 -0.455 . . . . 54.350000000000001 111.105 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 64.6 m170 -122.68 116.69 24.21 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 71.140000000000001 110.809 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -128.54 119.5 24.94 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.204 -0.453 . . . . 75.010000000000005 110.859 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -123.26 133.27 54.2 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 75.310000000000002 110.918 -179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . 0.448 ' O ' HD22 ' J' ' 17' ' ' LEU . 12.1 tttp -126.94 115.81 19.83 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.239 -0.437 . . . . 71.420000000000002 110.883 -179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.637 HD13 ' HB2' ' I' ' 17' ' ' LEU . 4.4 mm? -122.29 104.24 9.3 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.238 -0.437 . . . . 64.329999999999998 110.913 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.552 ' CG1' ' HB2' ' J' ' 21' ' ' ALA . 39.1 t -102.0 114.92 42.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.17 -0.468 . . . . 73.420000000000002 111.143 179.846 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.471 ' HE1' HD12 ' J' ' 17' ' ' LEU . 9.6 m-30 -102.75 97.18 7.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.211 -0.45 . . . . 71.120000000000005 110.891 -179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 4.1 m-30 59.39 90.96 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 70.340000000000003 110.862 -179.929 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . 0.552 ' HB2' ' CG1' ' J' ' 18' ' ' VAL . . . -116.09 140.53 49.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.127 -0.488 . . . . 44.329999999999998 111.089 179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 55.44 85.94 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.256 -0.429 . . . . 71.140000000000001 110.905 -179.991 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.604 HG22 ' H ' ' J' ' 26' ' ' SER . 7.6 p -125.12 124.76 68.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 74.510000000000005 111.109 -179.989 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.03 -33.27 36.62 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.732 -0.746 . . . . 64.150000000000006 112.498 179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . 0.604 ' H ' HG22 ' J' ' 24' ' ' VAL . 0.6 OUTLIER -178.94 135.89 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.872 0.367 . . . . 54.32 110.873 -179.706 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . 0.505 ' OD1' HG21 ' J' ' 24' ' ' VAL . 19.8 m-20 -97.91 99.0 10.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.141 -0.481 . . . . 61.310000000000002 110.863 -179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -114.93 155.47 26.82 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.181 -0.463 . . . . 74.299999999999997 110.877 179.874 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . 0.407 ' HA2' ' HA ' ' E' ' 3' ' ' GLU . . . 66.72 -132.26 31.8 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.731 -0.747 . . . . 42.450000000000003 112.442 179.897 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 0.638 ' HB2' ' CE2' ' E' ' 4' ' ' PHE . . . -100.55 114.37 27.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.752 0.31 . . . . 44.32 111.13 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.484 HG22 HG13 ' I' ' 31' ' ' ILE . 0.0 OUTLIER -115.0 115.57 49.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 73.349999999999994 111.121 -179.968 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -130.04 118.32 43.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.207 -0.451 . . . . 71.450000000000003 111.152 179.833 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . 0.581 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -51.84 -49.5 47.75 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.722 -0.752 . . . . 43.130000000000003 112.515 179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.753 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -154.8 153.58 31.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.757 0.313 . . . . 73.129999999999995 110.969 -179.965 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 2.7 mtp -130.69 117.71 19.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 74.140000000000001 110.902 179.816 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . . . . . . . . . 73.9 t -143.16 111.05 1.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.214 -0.448 . . . . 54.210000000000001 111.086 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.61 30.29 77.06 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.721 -0.752 . . . . 74.010000000000005 112.491 179.962 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.12 -173.06 16.42 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.8 -0.714 . . . . 73.420000000000002 112.488 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.857 HG23 HG13 ' I' ' 39' ' ' VAL . 11.9 p -162.99 149.97 3.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.833 0.349 . . . . 73.430000000000007 111.159 -179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.696 HG22 ' HA ' ' I' ' 40' ' ' VAL . 16.5 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 74.420000000000002 111.119 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.231 0.099 0 CA-C-O 120.815 0.341 . . . . 64.200000000000003 110.889 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.32 84.46 3.01 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.171 -0.468 . . . . 25.420000000000002 111.08 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 -52.99 -31.78 42.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.227 -0.442 . . . . 64.239999999999995 110.897 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.666 ' CE2' ' HB2' ' F' ' 30' ' ' ALA . 1.2 m-85 -156.4 113.16 3.11 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 71.019999999999996 110.872 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.99 108.31 6.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 73.439999999999998 110.855 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 1.9 t60 -112.43 131.22 55.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.15 -0.477 . . . . 73.530000000000001 110.872 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -135.47 101.56 4.85 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.183 -0.462 . . . . 74.420000000000002 110.832 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 10.6 m -145.35 176.44 9.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 41.149999999999999 110.852 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.35 -9.98 49.35 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.79 -0.719 . . . . 65.5 112.502 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.25 114.73 0.32 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.88 0.371 . . . . 74.019999999999996 110.956 -179.823 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 1.3 tp10 -97.77 120.12 37.59 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.136 -0.484 . . . . 61.350000000000001 110.897 -179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 54.3 t -127.13 125.33 66.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.131 -0.486 . . . . 64.150000000000006 111.156 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 82.2 m-70 -137.85 118.75 14.23 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.465 . . . . 70.409999999999997 110.844 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -136.08 133.34 37.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.205 -0.452 . . . . 73.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 2.2 mm-40 -122.9 133.31 54.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.216 -0.447 . . . . 72.349999999999994 110.938 -179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.555 ' O ' HD22 ' A' ' 17' ' ' LEU . 8.7 tptm -128.72 118.91 23.64 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 71.349999999999994 110.903 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.642 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.5 mm? -126.75 103.75 7.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 62.25 110.939 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.62 HG12 ' HB2' ' A' ' 21' ' ' ALA . 2.1 t -109.73 111.22 35.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 62.310000000000002 111.108 179.877 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.457 ' HE1' HD12 ' A' ' 17' ' ' LEU . 6.9 m-85 -103.32 141.12 36.47 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.161 -0.472 . . . . 75.310000000000002 110.901 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.705 ' HE1' HG22 ' A' ' 31' ' ' ILE . 17.2 m-85 62.64 36.18 13.74 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.204 -0.453 . . . . 72.519999999999996 110.898 -179.898 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.62 ' HB2' HG12 ' A' ' 18' ' ' VAL . . . -87.6 125.92 34.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 54.130000000000003 111.051 179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.36 72.11 0.46 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 62.420000000000002 110.808 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 6.0 p -139.36 139.95 38.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 74.310000000000002 111.108 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.79 -92.29 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.756 -0.735 . . . . 70.120000000000005 112.461 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 27.0 m -125.06 143.6 50.83 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.891 0.377 . . . . 72.310000000000002 110.87 -179.701 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.438 ' ND2' HG23 ' B' ' 24' ' ' VAL . 1.2 m-80 -100.13 99.48 10.2 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.156 -0.474 . . . . 62.549999999999997 110.91 -179.942 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -116.39 168.59 10.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.155 -0.475 . . . . 74.340000000000003 110.866 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.31 -125.27 20.6 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 61.409999999999997 112.481 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.668 ' HB2' ' CE2' ' F' ' 4' ' ' PHE . . . -101.74 114.16 27.97 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.751 0.31 . . . . 33.43 111.108 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.709 HD12 ' O ' ' B' ' 30' ' ' ALA . 0.3 OUTLIER -129.25 117.8 44.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.435 . . . . 62.25 111.124 179.97 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.649 HG21 ' HG3' ' A' ' 35' ' ' MET . 6.3 mt -133.98 119.19 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.131 -0.486 . . . . 62.119999999999997 111.111 179.866 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.01 -54.37 18.99 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.731 -0.747 . . . . 51.109999999999999 112.503 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.835 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -159.45 152.11 21.54 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.794 0.331 . . . . 71.349999999999994 110.951 -179.934 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.649 ' HG3' HG21 ' A' ' 32' ' ' ILE . 10.9 mtp -134.53 127.96 32.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.261 -0.427 . . . . 63.200000000000003 110.884 179.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.979 HG11 HG21 ' F' ' 36' ' ' VAL . 45.2 t -130.16 119.03 45.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 74.420000000000002 111.142 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 61.31 25.21 64.5 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.711 -0.757 . . . . 65.420000000000002 112.516 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.24 157.48 22.01 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.767 -0.73 . . . . 42.409999999999997 112.512 -179.93 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.659 HG22 HG12 ' B' ' 39' ' ' VAL . 12.0 m -123.8 177.74 4.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.842 0.353 . . . . 33.030000000000001 111.136 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.696 ' HA ' HG22 ' B' ' 40' ' ' VAL . 21.5 m . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.471 . . . . 75.549999999999997 111.165 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.23 0.058 0 CA-C-O 120.828 0.347 . . . . 65.349999999999994 110.853 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.37 84.38 2.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 64.209999999999994 111.078 179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -52.54 -29.97 28.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.234 -0.439 . . . . 74.140000000000001 110.89 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.704 ' CE2' ' HB2' ' G' ' 30' ' ' ALA . 1.3 m-85 -157.74 112.24 2.64 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 65.519999999999996 110.905 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.43 107.38 7.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.162 -0.472 . . . . 75.420000000000002 110.885 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -112.55 130.55 55.97 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 70.049999999999997 110.858 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -134.99 101.49 4.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 73.310000000000002 110.82 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 10.5 m -144.65 176.12 9.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 75.519999999999996 110.897 -179.821 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.65 -10.11 48.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.786 -0.721 . . . . 75.329999999999998 112.514 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -172.44 113.0 0.28 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.839 0.352 . . . . 74.299999999999997 110.94 -179.777 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -95.4 120.38 35.54 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.152 -0.476 . . . . 74.439999999999998 110.863 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 56.5 t -125.85 124.01 65.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.116 -0.493 . . . . 75.409999999999997 111.15 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 83.7 m-70 -138.19 117.41 12.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.179 -0.464 . . . . 65.040000000000006 110.877 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -136.05 133.32 37.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.194 -0.457 . . . . 74.310000000000002 110.866 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -120.19 134.11 55.33 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 62.340000000000003 110.935 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.588 ' O ' HD22 ' B' ' 17' ' ' LEU . 8.7 tptm -124.75 118.92 27.5 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 73.349999999999994 110.915 179.935 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.642 HD13 ' HB2' ' A' ' 17' ' ' LEU . 4.5 mm? -127.74 103.72 7.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.151 -0.477 . . . . 74.040000000000006 110.912 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.844 HG12 ' HB2' ' B' ' 21' ' ' ALA . 1.7 t -110.76 112.99 42.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.157 -0.474 . . . . 72.109999999999999 111.175 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.49 ' CE1' HD12 ' B' ' 17' ' ' LEU . 4.6 m-85 -107.37 136.71 46.71 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.465 . . . . 75.420000000000002 110.858 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.709 ' HE1' HG22 ' B' ' 31' ' ' ILE . 21.0 m-85 62.3 35.19 15.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 63.32 110.849 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.844 ' HB2' HG12 ' B' ' 18' ' ' VAL . . . -87.12 124.77 33.61 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 74.109999999999999 111.093 179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.84 72.92 0.43 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 71.439999999999998 110.863 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.438 HG23 ' ND2' ' A' ' 27' ' ' ASN . 4.9 p -139.89 139.61 37.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.237 -0.438 . . . . 75.340000000000003 111.18 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.56 -91.74 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.758 -0.734 . . . . 30.309999999999999 112.53 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 27.0 m -124.12 143.6 50.37 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.871 0.367 . . . . 70.25 110.83 -179.756 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.438 ' ND2' HG23 ' C' ' 24' ' ' VAL . 1.3 m-80 -102.02 99.92 10.14 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.108 -0.496 . . . . 71.109999999999999 110.925 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.77 169.77 8.96 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.185 -0.461 . . . . 75.439999999999998 110.888 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.76 -126.89 26.61 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.704 -0.76 . . . . 74.329999999999998 112.481 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.709 ' O ' HD12 ' A' ' 31' ' ' ILE . . . -101.96 113.32 26.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.754 0.311 . . . . 70.319999999999993 111.09 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.719 HD12 ' O ' ' C' ' 30' ' ' ALA . 0.2 OUTLIER -127.31 116.84 45.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.203 -0.453 . . . . 74.25 111.101 179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.551 HG21 ' HG3' ' B' ' 35' ' ' MET . 5.6 mt -131.42 120.19 45.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 70.510000000000005 111.143 179.814 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -50.53 -55.53 16.61 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.684 -0.77 . . . . 54.039999999999999 112.505 179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.845 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -155.58 151.14 27.21 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.798 0.332 . . . . 74.040000000000006 110.939 -179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.551 ' HG3' HG21 ' B' ' 32' ' ' ILE . 10.1 mtp -131.91 123.21 26.98 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.207 -0.452 . . . . 71.510000000000005 110.875 179.831 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.851 HG11 HG11 ' G' ' 36' ' ' VAL . 44.6 t -130.2 117.68 41.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.233 -0.44 . . . . 62.310000000000002 111.151 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.34 26.43 61.7 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.771 -0.728 . . . . 70.209999999999994 112.464 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.37 157.15 21.62 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.743 -0.741 . . . . 70.400000000000006 112.483 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.749 HG22 HG12 ' C' ' 39' ' ' VAL . 10.4 m -123.55 177.37 4.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-O 120.832 0.349 . . . . 73.239999999999995 111.163 -179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.703 ' HA ' HG22 ' C' ' 40' ' ' VAL . 16.8 m . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 116.196 -0.457 . . . . 72.209999999999994 111.104 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.808 0.337 . . . . 72.329999999999998 110.875 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -99.15 84.03 2.97 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 71.329999999999998 111.135 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -53.49 -28.6 31.77 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.254 -0.43 . . . . 75.109999999999999 110.884 -179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . 0.695 ' CE2' ' HB2' ' H' ' 30' ' ' ALA . 1.4 m-85 -157.41 112.46 2.75 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 74.549999999999997 110.919 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.59 106.75 7.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 72.430000000000007 110.914 -179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -113.04 131.13 55.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 73.409999999999997 110.865 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -135.43 101.52 4.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.176 -0.466 . . . . 62.210000000000001 110.879 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 10.4 m -144.24 175.78 9.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.213 -0.448 . . . . 61.229999999999997 110.88 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.68 -10.11 47.89 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.788 -0.72 . . . . 61.32 112.475 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -172.39 112.72 0.28 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.872 0.368 . . . . 74.299999999999997 110.935 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.95 120.36 35.04 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.162 -0.472 . . . . 74.150000000000006 110.926 179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 56.9 t -125.06 123.59 65.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.149 -0.478 . . . . 50.219999999999999 111.102 -179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -138.26 116.64 11.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.163 -0.471 . . . . 75.129999999999995 110.839 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -135.31 134.87 40.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 71.219999999999999 110.84 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -121.44 134.62 55.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.237 -0.438 . . . . 62.130000000000003 110.903 -179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.619 ' O ' HD22 ' C' ' 17' ' ' LEU . 8.5 tptm -123.15 117.88 26.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 60.299999999999997 110.896 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.638 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.6 mm? -128.91 103.25 6.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 73.140000000000001 110.893 179.961 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.855 HG12 ' HB2' ' C' ' 21' ' ' ALA . 1.4 t -112.01 114.33 46.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.216 -0.447 . . . . 74.319999999999993 111.106 179.846 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.472 ' HE1' HD12 ' C' ' 17' ' ' LEU . 3.0 m-85 -107.89 136.2 48.0 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.166 -0.47 . . . . 72.319999999999993 110.897 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.711 ' HE1' HG22 ' C' ' 31' ' ' ILE . 21.9 m-85 60.87 35.56 19.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 71.430000000000007 110.919 -179.857 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.855 ' HB2' HG12 ' C' ' 18' ' ' VAL . . . -87.49 124.75 33.78 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.162 -0.472 . . . . 72.010000000000005 111.103 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.0 73.46 0.44 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 63.140000000000001 110.891 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.438 HG23 ' ND2' ' B' ' 27' ' ' ASN . 5.7 p -140.18 139.17 36.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.261 -0.427 . . . . 75.230000000000004 111.164 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.8 -91.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 64.239999999999995 112.487 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 26.7 m -123.82 143.1 50.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 40.340000000000003 110.882 -179.72 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.426 ' ND2' HG23 ' D' ' 24' ' ' VAL . 1.3 m-80 -102.18 99.92 10.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 74.140000000000001 110.874 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.17 170.57 8.27 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.138 -0.483 . . . . 74.409999999999997 110.915 179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.81 -127.79 28.31 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.74 -0.743 . . . . 73.129999999999995 112.453 179.944 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.719 ' O ' HD12 ' B' ' 31' ' ' ILE . . . -102.0 112.95 25.78 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.736 0.303 . . . . 60.039999999999999 111.089 -179.993 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.714 HD12 ' O ' ' D' ' 30' ' ' ALA . 0.2 OUTLIER -126.63 116.29 44.61 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.239 -0.437 . . . . 64.319999999999993 111.12 179.979 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.575 HG21 ' HG3' ' C' ' 35' ' ' MET . 5.4 mt -130.35 119.78 47.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.144 -0.48 . . . . 74.340000000000003 111.099 179.859 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.87 -56.17 12.66 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.715 -0.755 . . . . 33.32 112.483 179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.865 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -154.16 149.73 27.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.812 0.339 . . . . 73.420000000000002 110.925 -179.926 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.575 ' HG3' HG21 ' C' ' 32' ' ' ILE . 10.3 mtp -130.41 122.69 28.25 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 72.329999999999998 110.889 179.838 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.933 HG11 HG11 ' H' ' 36' ' ' VAL . 47.5 t -131.58 117.87 36.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.267 -0.424 . . . . 73.439999999999998 111.089 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.12 27.2 57.14 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.708 -0.758 . . . . 53.439999999999998 112.524 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.53 157.06 21.25 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.742 -0.742 . . . . 72.349999999999994 112.531 -179.928 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.791 HG22 HG12 ' D' ' 39' ' ' VAL . 9.0 m -123.32 177.16 4.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 62.119999999999997 111.17 179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.728 ' HA ' HG22 ' D' ' 40' ' ' VAL . 16.7 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.179 -0.464 . . . . 74.129999999999995 111.138 179.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.821 0.343 . . . . 73.310000000000002 110.878 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.26 84.92 3.32 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 63.329999999999998 111.087 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -53.65 -27.47 27.57 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.253 -0.43 . . . . 53.329999999999998 110.855 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . 0.669 ' CE2' ' HB2' ' I' ' 30' ' ' ALA . 1.5 m-85 -156.92 112.82 2.93 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 71.319999999999993 110.887 -179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.56 107.18 8.28 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 65.230000000000004 110.905 -179.929 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 2.2 t60 -114.39 131.21 56.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 70.430000000000007 110.855 -179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 24.6 t0 -134.67 101.57 4.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.458 . . . . 73.409999999999997 110.858 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 10.0 m -144.39 174.67 10.72 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.155 -0.475 . . . . 71.239999999999995 110.853 -179.751 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.02 -9.32 48.97 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.718 -0.753 . . . . 63.420000000000002 112.485 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -172.16 113.5 0.31 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.862 0.363 . . . . 75.5 110.961 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.45 121.22 36.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.116 -0.493 . . . . 73.310000000000002 110.872 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 53.7 t -124.65 122.79 64.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.112 -0.495 . . . . 71.200000000000003 111.159 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 85.0 m-70 -138.56 116.79 11.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.213 -0.449 . . . . 72.200000000000003 110.869 179.942 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -136.29 135.48 38.99 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 70.239999999999995 110.851 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 2.4 mm-40 -122.65 134.88 54.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.181 -0.463 . . . . 71.219999999999999 110.902 -179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.657 ' O ' HD22 ' D' ' 17' ' ' LEU . 8.6 tptm -121.81 116.7 24.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 75.010000000000005 110.829 179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.657 HD22 ' O ' ' D' ' 16' ' ' LYS . 4.6 mm? -130.37 103.43 6.68 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.222 -0.445 . . . . 71.019999999999996 110.93 179.856 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.841 HG12 ' HB2' ' D' ' 21' ' ' ALA . 0.9 OUTLIER -112.91 117.1 54.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.173 -0.467 . . . . 71.420000000000002 111.094 179.867 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.477 ' HE1' HD12 ' D' ' 17' ' ' LEU . 1.9 m-85 -108.92 136.72 48.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.186 -0.461 . . . . 64.129999999999995 110.865 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.701 ' HE1' HG22 ' D' ' 31' ' ' ILE . 19.7 m-85 59.24 34.7 23.19 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 53.509999999999998 110.823 -179.952 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . 0.841 ' HB2' HG12 ' D' ' 18' ' ' VAL . . . -88.33 125.4 34.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.185 -0.461 . . . . 74.519999999999996 111.113 179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.71 72.37 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.251 -0.431 . . . . 64.129999999999995 110.804 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.426 HG23 ' ND2' ' C' ' 27' ' ' ASN . 6.0 p -140.15 138.01 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 54.43 111.11 179.957 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.23 -91.2 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.725 -0.75 . . . . 62.340000000000003 112.502 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 26.5 m -123.72 142.75 50.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.887 0.375 . . . . 73.420000000000002 110.901 -179.788 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.432 ' N ' HD22 ' D' ' 27' ' ' ASN . 1.4 m-80 -101.96 99.75 9.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.139 -0.482 . . . . 73.209999999999994 110.924 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.69 170.83 8.03 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 64.310000000000002 110.937 179.917 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.07 -127.83 29.41 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.716 -0.754 . . . . 71.150000000000006 112.489 179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.714 ' O ' HD12 ' C' ' 31' ' ' ILE . . . -102.52 112.83 25.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.714 0.292 . . . . 72.129999999999995 111.097 179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.701 HG22 ' HE1' ' D' ' 20' ' ' PHE . 0.2 OUTLIER -126.99 116.69 45.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.258 -0.428 . . . . 72.319999999999993 111.145 179.977 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.671 HG21 ' HG3' ' D' ' 35' ' ' MET . 5.3 mt -129.9 119.51 47.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.179 -0.464 . . . . 74.420000000000002 111.118 179.861 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.65 -57.48 9.47 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 45.219999999999999 112.506 179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.867 HD22 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -152.56 147.65 26.43 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-O 120.864 0.364 . . . . 64.430000000000007 110.898 -179.941 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.671 ' HG3' HG21 ' D' ' 32' ' ' ILE . 10.8 mtp -130.99 122.41 26.8 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.174 -0.466 . . . . 71.010000000000005 110.874 179.815 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.898 HG11 HG11 ' I' ' 36' ' ' VAL . 48.3 t -132.58 116.39 27.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 64.120000000000005 111.142 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.53 27.51 61.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.737 -0.744 . . . . 71.129999999999995 112.498 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.88 158.4 21.39 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 70.409999999999997 112.492 -179.9 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.884 HG22 HG12 ' E' ' 39' ' ' VAL . 6.4 m -122.43 177.35 3.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.865 0.364 . . . . 73.049999999999997 111.112 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.74 ' HA ' HG22 ' E' ' 40' ' ' VAL . 17.7 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 73.219999999999999 111.116 179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.833 0.349 . . . . 75.239999999999995 110.854 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.82 84.42 3.11 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 53.329999999999998 111.123 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . 0.402 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . 1.5 mp0 -53.13 -27.92 23.25 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.25 -0.432 . . . . 64.019999999999996 110.895 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . 0.599 ' CE2' ' HB2' ' J' ' 30' ' ' ALA . 1.6 m-85 -155.56 114.01 3.46 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.174 -0.466 . . . . 74.430000000000007 110.913 -179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.89 106.57 8.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 72.439999999999998 110.849 -179.896 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -116.21 131.28 56.99 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 75.120000000000005 110.869 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -132.86 101.11 5.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.25 -0.432 . . . . 75.109999999999999 110.905 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 9.7 m -145.44 170.86 15.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.254 -0.43 . . . . 64.439999999999998 110.876 -179.776 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.78 -8.51 51.51 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.737 -0.744 . . . . 55.32 112.477 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -170.99 112.24 0.38 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.834 0.35 . . . . 75.420000000000002 110.943 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -96.19 121.65 38.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.47 . . . . 73.510000000000005 110.887 -179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 48.9 t -123.49 122.74 65.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.16 -0.473 . . . . 72.010000000000005 111.078 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 83.5 m-70 -139.31 115.38 10.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.129 -0.487 . . . . 60.409999999999997 110.866 179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -136.21 135.93 39.52 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 73.219999999999999 110.9 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -122.56 138.45 54.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 72.439999999999998 110.887 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . 0.685 ' O ' HD22 ' E' ' 17' ' ' LEU . 8.2 tptm -122.67 114.85 21.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 73.329999999999998 110.843 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.685 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.5 mm? -130.68 105.64 7.95 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.237 -0.438 . . . . 50.210000000000001 110.903 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.81 HG12 ' HB2' ' E' ' 21' ' ' ALA . 0.2 OUTLIER -113.39 120.19 62.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.138 -0.483 . . . . 74.129999999999995 111.123 179.799 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.5 ' HE1' HD12 ' E' ' 17' ' ' LEU . 1.7 m-85 -110.85 134.84 52.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 73.439999999999998 110.836 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.622 ' HE1' HG22 ' E' ' 31' ' ' ILE . 22.4 m-85 57.01 35.3 26.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.1 -0.5 . . . . 74.0 110.884 -179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . 0.81 ' HB2' HG12 ' E' ' 18' ' ' VAL . . . -90.6 127.17 36.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.115 -0.493 . . . . 74.540000000000006 111.117 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.99 72.56 0.48 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.455 . . . . 73.230000000000004 110.849 179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 6.3 p -140.78 136.02 34.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 74.329999999999998 111.092 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.28 -90.05 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.734 . . . . 63.520000000000003 112.45 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 25.1 m -124.72 140.95 52.46 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.947 0.403 . . . . 70.420000000000002 110.798 -179.707 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -101.32 99.71 10.11 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.072 -0.513 . . . . 65.010000000000005 110.857 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.59 170.8 8.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 64.230000000000004 110.909 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.71 -128.62 33.09 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 42.25 112.501 179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.694 ' O ' HD12 ' D' ' 31' ' ' ILE . . . -103.43 113.38 26.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 61.210000000000001 111.102 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.622 HG22 ' HE1' ' E' ' 20' ' ' PHE . 0.3 OUTLIER -128.26 116.75 43.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.251 -0.431 . . . . 75.319999999999993 111.132 -179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.654 HG21 ' HG3' ' E' ' 35' ' ' MET . 5.2 mt -126.16 120.61 57.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 52.329999999999998 111.128 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . 0.454 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -51.47 -54.23 25.09 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.722 -0.751 . . . . 64.129999999999995 112.516 179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.813 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -152.98 150.85 29.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.776 0.322 . . . . 71.540000000000006 110.918 -179.929 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.654 ' HG3' HG21 ' E' ' 32' ' ' ILE . 10.9 mtp -134.63 120.47 19.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.188 -0.46 . . . . 64.140000000000001 110.84 179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.747 HG11 HG11 ' J' ' 36' ' ' VAL . 47.1 t -134.26 115.26 20.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.185 -0.462 . . . . 65.329999999999998 111.107 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 56.49 27.63 54.37 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.721 -0.752 . . . . 72.120000000000005 112.538 -179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.05 159.99 21.25 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.738 -0.744 . . . . 75.420000000000002 112.421 -179.856 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.884 HG12 HG22 ' D' ' 39' ' ' VAL . 10.8 m -123.17 178.66 3.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.868 0.366 . . . . 63.240000000000002 111.14 -179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.74 HG22 ' HA ' ' D' ' 40' ' ' VAL . 18.2 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.199 -0.455 . . . . 71.400000000000006 111.14 179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.824 0.345 . . . . 61.140000000000001 110.869 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.6 83.89 3.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 41.310000000000002 111.109 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -52.31 -31.69 34.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.22 -0.445 . . . . 70.409999999999997 110.884 -179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . 0.668 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 1.5 m-85 -156.69 114.53 3.23 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 74.319999999999993 110.838 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -136.06 108.31 7.28 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 74.420000000000002 110.887 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -112.14 130.47 55.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.206 -0.452 . . . . 73.049999999999997 110.861 -179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -135.02 101.85 5.02 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.205 -0.452 . . . . 65.439999999999998 110.878 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 10.6 m -145.3 176.01 9.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.45 . . . . 73.409999999999997 110.861 -179.734 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.19 -9.9 50.09 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 74.230000000000004 112.49 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.23 114.74 0.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.878 0.37 . . . . 72.019999999999996 110.941 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 1.2 tp10 -97.28 119.89 36.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 74.329999999999998 110.874 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 53.7 t -126.75 125.2 66.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.132 -0.485 . . . . 63.210000000000001 111.139 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 82.4 m-70 -137.59 118.58 14.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 61.329999999999998 110.854 179.939 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 24.4 m-70 -136.57 132.67 35.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 63.229999999999997 110.862 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -122.78 133.4 54.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 75.230000000000004 110.937 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . 0.572 ' O ' HD22 ' F' ' 17' ' ' LEU . 8.7 tptm -128.43 119.05 24.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.169 -0.468 . . . . 73.510000000000005 110.904 179.965 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.631 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.5 mm? -126.95 103.38 7.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.247 -0.433 . . . . 74.439999999999998 110.92 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.625 HG12 ' HB2' ' F' ' 21' ' ' ALA . 2.1 t -109.75 111.74 37.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.192 -0.458 . . . . 75.140000000000001 111.142 179.839 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.443 ' HE1' HD12 ' F' ' 17' ' ' LEU . 7.0 m-85 -103.47 141.15 36.47 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 61.329999999999998 110.896 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . 0.707 ' HE1' HG22 ' F' ' 31' ' ' ILE . 17.1 m-85 62.63 35.78 14.04 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.177 -0.465 . . . . 75.319999999999993 110.923 -179.893 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . 0.625 ' HB2' HG12 ' F' ' 18' ' ' VAL . . . -87.42 126.97 35.2 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.141 -0.481 . . . . 42.119999999999997 111.103 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.26 71.23 0.48 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 61.549999999999997 110.9 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 6.1 p -139.27 139.77 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.192 -0.458 . . . . 52.299999999999997 111.12 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.61 -92.65 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.744 -0.741 . . . . 72.340000000000003 112.444 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 26.8 m -124.05 142.63 51.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.911 0.386 . . . . 64.230000000000004 110.835 -179.688 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . 0.451 ' ND2' HG23 ' G' ' 24' ' ' VAL . 1.3 m-80 -98.85 99.06 10.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.124 -0.489 . . . . 74.430000000000007 110.893 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -115.0 168.79 9.6 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 74.340000000000003 110.943 179.891 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.9 -127.29 23.79 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 73.099999999999994 112.51 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.666 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . . . -100.59 114.19 27.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.719 0.295 . . . . 72.310000000000002 111.126 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.707 HG22 ' HE1' ' F' ' 20' ' ' PHE . 0.2 OUTLIER -128.16 119.01 49.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 74.420000000000002 111.144 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . 0.628 HG21 ' HG3' ' F' ' 35' ' ' MET . 6.4 mt -134.32 118.65 27.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.469 . . . . 65.150000000000006 111.134 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.61 -54.82 15.54 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.744 -0.741 . . . . 54.25 112.497 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.833 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -159.24 151.93 21.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.791 0.329 . . . . 73.200000000000003 110.922 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . 0.628 ' HG3' HG21 ' F' ' 32' ' ' ILE . 11.0 mtp -134.06 127.18 31.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.208 -0.451 . . . . 70.230000000000004 110.881 179.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.979 HG21 HG11 ' A' ' 36' ' ' VAL . 45.8 t -129.99 119.18 46.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 64.400000000000006 111.135 179.958 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 60.58 25.57 63.44 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 62.100000000000001 112.499 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.89 157.03 21.72 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.729 -0.748 . . . . 51.200000000000003 112.501 -179.924 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.655 HG22 HG12 ' G' ' 39' ' ' VAL . 11.8 m -123.58 177.46 4.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.892 0.377 . . . . 73.209999999999994 111.156 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.721 ' HA ' HG22 ' G' ' 40' ' ' VAL . 20.0 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.455 . . . . 75.349999999999994 111.147 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.081 0 CA-C-O 120.816 0.341 . . . . 73.030000000000001 110.873 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.46 84.95 3.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.217 -0.447 . . . . 71.430000000000007 111.075 179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -51.62 -30.6 22.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.211 -0.45 . . . . 71.239999999999995 110.904 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 4' ' ' PHE . . . . . 0.698 ' CE2' ' HB2' ' B' ' 30' ' ' ALA . 1.6 m-85 -157.46 113.94 2.93 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 73.319999999999993 110.846 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.62 107.44 7.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.142 -0.481 . . . . 73.109999999999999 110.866 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 2.0 t60 -112.17 129.95 56.07 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.193 -0.458 . . . . 63.329999999999998 110.862 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 24.2 t0 -134.71 101.62 5.0 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.224 -0.444 . . . . 74.030000000000001 110.866 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 10.4 m -144.68 175.84 9.87 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 72.129999999999995 110.878 -179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.79 -10.09 47.59 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.796 -0.716 . . . . 45.130000000000003 112.534 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -172.31 113.03 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.872 0.368 . . . . 73.540000000000006 110.924 -179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 1.1 tp10 -94.87 120.08 34.49 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.083 -0.508 . . . . 52.229999999999997 110.901 -179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 56.6 t -125.54 123.73 65.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.164 -0.471 . . . . 75.219999999999999 111.142 -179.996 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 83.4 m-70 -138.29 117.85 13.0 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 73.420000000000002 110.835 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 24.5 m-70 -136.8 133.26 35.74 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.195 -0.457 . . . . 75.310000000000002 110.835 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -120.31 133.89 55.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 73.209999999999994 110.892 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . 0.581 ' O ' HD22 ' G' ' 17' ' ' LEU . 8.6 tptm -124.61 118.61 26.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 71.319999999999993 110.889 179.939 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.632 ' HB2' HD13 ' H' ' 17' ' ' LEU . 4.5 mm? -127.71 103.74 7.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.18 -0.464 . . . . 41.119999999999997 110.89 179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.832 HG12 ' HB2' ' G' ' 21' ' ' ALA . 1.7 t -110.99 113.4 44.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 74.150000000000006 111.124 179.809 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.476 ' CE1' HD12 ' G' ' 17' ' ' LEU . 4.4 m-85 -107.45 136.83 46.58 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.204 -0.453 . . . . 73.540000000000006 110.886 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 0.706 ' HE1' HG22 ' G' ' 31' ' ' ILE . 20.7 m-85 62.35 35.06 15.3 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 73.310000000000002 110.853 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . 0.832 ' HB2' HG12 ' G' ' 18' ' ' VAL . . . -87.25 125.56 34.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.465 . . . . 71.409999999999997 111.109 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER 64.73 72.47 0.44 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.203 -0.453 . . . . 53.229999999999997 110.875 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.451 HG23 ' ND2' ' F' ' 27' ' ' ASN . 5.3 p -139.69 139.7 37.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 72.129999999999995 111.126 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.63 -91.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.756 -0.735 . . . . 60.539999999999999 112.462 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 27.3 m -123.32 142.77 50.6 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.944 0.402 . . . . 71.519999999999996 110.836 -179.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . 0.435 ' ND2' HG23 ' H' ' 24' ' ' VAL . 1.3 m-80 -101.78 99.5 9.75 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.089 -0.505 . . . . 63.149999999999999 110.875 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.78 170.22 8.49 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.143 -0.48 . . . . 75.519999999999996 110.871 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.32 -128.07 26.75 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.75 -0.738 . . . . 51.43 112.503 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.704 ' HB2' ' CE2' ' B' ' 4' ' ' PHE . . . -101.22 113.71 27.0 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.747 0.308 . . . . 64.549999999999997 111.102 179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.724 HD12 ' O ' ' H' ' 30' ' ' ALA . 0.2 OUTLIER -126.68 117.53 48.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 74.209999999999994 111.149 179.96 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.57 HG21 ' HG3' ' G' ' 35' ' ' MET . 5.8 mt -131.47 120.12 44.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 51.420000000000002 111.134 179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.01 -55.67 17.56 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.782 -0.723 . . . . 72.120000000000005 112.469 179.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.861 HD22 ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -155.54 151.09 27.21 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.885 0.374 . . . . 73.549999999999997 110.895 -179.937 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.57 ' HG3' HG21 ' G' ' 32' ' ' ILE . 9.8 mtp -131.59 122.94 26.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.197 -0.456 . . . . 64.25 110.909 179.828 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.851 HG11 HG11 ' B' ' 36' ' ' VAL . 43.7 t -130.59 118.02 41.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 62.140000000000001 111.1 -179.976 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.77 26.27 60.06 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.731 -0.747 . . . . 63.130000000000003 112.479 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -129.15 157.12 21.54 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.747 -0.74 . . . . 73.340000000000003 112.528 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.724 HG22 HG12 ' H' ' 39' ' ' VAL . 9.4 m -123.79 177.72 4.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.877 0.37 . . . . 74.230000000000004 111.165 -179.972 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.727 ' HA ' HG22 ' H' ' 40' ' ' VAL . 17.3 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 61.420000000000002 111.168 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.794 0.331 . . . . 75.430000000000007 110.876 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.23 84.83 3.56 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.205 -0.452 . . . . 65.329999999999998 111.067 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -51.06 -30.83 16.87 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.221 -0.445 . . . . 63.530000000000001 110.856 -179.926 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 4' ' ' PHE . . . . . 0.691 ' CE2' ' HB2' ' C' ' 30' ' ' ALA . 1.6 m-85 -157.4 114.27 2.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.202 -0.454 . . . . 74.400000000000006 110.847 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.99 107.28 8.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.138 -0.483 . . . . 74.310000000000002 110.829 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -112.55 129.84 56.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 74.409999999999997 110.856 179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -134.58 101.64 5.03 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.461 . . . . 74.129999999999995 110.923 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 10.2 m -144.48 175.4 10.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.159 -0.473 . . . . 60.420000000000002 110.862 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.58 -10.17 48.05 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.815 -0.707 . . . . 73.549999999999997 112.497 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -172.37 112.88 0.28 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.834 0.35 . . . . 72.109999999999999 110.887 -179.79 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -94.32 120.22 34.24 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 53.520000000000003 110.878 179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 58.5 t -124.76 123.49 65.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.102 -0.499 . . . . 74.129999999999995 111.124 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 83.8 m-70 -138.64 117.43 12.31 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.205 -0.452 . . . . 63.32 110.869 179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -136.26 135.08 38.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.213 -0.449 . . . . 73.319999999999993 110.893 -179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 2.6 mm-40 -121.47 134.61 55.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 72.340000000000003 110.932 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . 0.617 ' O ' HD22 ' H' ' 17' ' ' LEU . 8.4 tptm -123.36 117.32 24.94 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.245 -0.434 . . . . 73.219999999999999 110.931 179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.632 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.6 mm? -128.93 103.25 6.92 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.217 -0.447 . . . . 71.430000000000007 110.956 179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.838 HG12 ' HB2' ' H' ' 21' ' ' ALA . 1.4 t -112.34 114.48 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.166 -0.47 . . . . 75.299999999999997 111.155 179.845 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.467 ' HE1' HD12 ' H' ' 17' ' ' LEU . 2.9 m-85 -107.82 136.23 47.9 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.165 -0.471 . . . . 74.140000000000001 110.877 -179.938 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . 0.708 ' HE1' HG22 ' H' ' 31' ' ' ILE . 21.5 m-85 60.91 35.33 19.23 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.134 -0.485 . . . . 72.140000000000001 110.903 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . 0.838 ' HB2' HG12 ' H' ' 18' ' ' VAL . . . -87.8 125.7 34.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 72.439999999999998 111.105 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.82 72.78 0.46 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 64.219999999999999 110.845 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.435 HG23 ' ND2' ' G' ' 27' ' ' ASN . 6.1 p -139.98 138.83 37.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 73.340000000000003 111.161 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.06 -91.57 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.758 -0.734 . . . . 73.239999999999995 112.482 180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 26.7 m -123.26 142.36 51.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.888 0.375 . . . . 72.219999999999999 110.835 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . 0.425 ' N ' HD22 ' H' ' 27' ' ' ASN . 1.3 m-80 -101.99 99.61 9.8 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.133 -0.485 . . . . 64.310000000000002 110.93 -179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.44 171.0 7.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.169 -0.469 . . . . 53.240000000000002 110.875 179.93 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.67 -128.8 29.35 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.768 -0.73 . . . . 72.120000000000005 112.435 179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . 0.724 ' O ' HD12 ' G' ' 31' ' ' ILE . . . -101.42 113.17 26.03 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.802 0.334 . . . . 73.219999999999999 111.142 179.985 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.728 HD12 ' O ' ' I' ' 30' ' ' ALA . 0.2 OUTLIER -126.4 117.15 47.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.193 -0.458 . . . . 73.120000000000005 111.112 -179.983 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . 0.562 HG21 ' HG3' ' H' ' 35' ' ' MET . 5.5 mt -130.42 119.64 46.64 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 65.019999999999996 111.168 179.836 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.89 -56.78 10.99 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.741 . . . . 70.439999999999998 112.506 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.863 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -153.89 149.25 27.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.795 0.331 . . . . 72.430000000000007 110.934 -179.933 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . 0.562 ' HG3' HG21 ' H' ' 32' ' ' ILE . 10.7 mtp -129.87 122.26 28.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 34.200000000000003 110.86 179.869 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.933 HG11 HG11 ' C' ' 36' ' ' VAL . 45.6 t -131.61 117.84 36.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.23 -0.441 . . . . 73.519999999999996 111.163 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.27 26.88 57.08 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.787 -0.721 . . . . 72.439999999999998 112.445 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -128.28 156.95 21.09 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.735 -0.745 . . . . 75.329999999999998 112.505 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.766 HG22 HG12 ' I' ' 39' ' ' VAL . 6.3 m -123.55 177.12 4.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-O 120.862 0.363 . . . . 70.310000000000002 111.119 -179.953 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . 0.739 ' HA ' HG22 ' I' ' 40' ' ' VAL . 17.0 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.216 -0.447 . . . . 74.129999999999995 111.088 179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.818 0.342 . . . . 61.229999999999997 110.843 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -97.33 84.74 3.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.146 -0.479 . . . . 73.430000000000007 111.119 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -51.43 -30.49 19.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.241 -0.436 . . . . 74.409999999999997 110.866 -179.909 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 4' ' ' PHE . . . . . 0.655 ' CE2' ' HB2' ' D' ' 30' ' ' ALA . 1.6 m-85 -157.28 114.13 3.01 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 75.040000000000006 110.892 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.02 107.68 8.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.168 -0.469 . . . . 74.230000000000004 110.883 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 2.1 t60 -113.53 130.17 56.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.173 -0.467 . . . . 72.120000000000005 110.853 -179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 24.5 t0 -134.16 101.81 5.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.244 -0.435 . . . . 72.109999999999999 110.883 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 10.2 m -145.05 174.68 10.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 73.099999999999994 110.857 -179.727 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.48 -9.47 47.04 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.728 -0.748 . . . . 63.109999999999999 112.532 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.7 t80 -172.22 113.12 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.857 0.36 . . . . 72.230000000000004 110.91 -179.796 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -94.71 120.89 35.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.106 -0.497 . . . . 73.150000000000006 110.911 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 61.8 t -124.44 122.24 63.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.169 -0.469 . . . . 75.239999999999995 111.141 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 84.0 m-70 -138.19 117.39 12.66 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.138 -0.483 . . . . 64.099999999999994 110.831 179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 25.0 m-70 -136.93 135.29 37.62 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.223 -0.444 . . . . 64.549999999999997 110.855 179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 2.5 mm-40 -122.6 135.03 54.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.164 -0.471 . . . . 52.530000000000001 110.912 -179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . 0.671 ' O ' HD22 ' I' ' 17' ' ' LEU . 8.6 tptm -121.71 116.58 24.78 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.21 -0.45 . . . . 73.25 110.874 179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.671 HD22 ' O ' ' I' ' 16' ' ' LYS . 4.6 mm? -130.44 103.13 6.48 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 63.219999999999999 110.947 179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . 0.832 HG12 ' HB2' ' I' ' 21' ' ' ALA . 0.8 OUTLIER -113.03 117.41 55.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.18 -0.464 . . . . 73.129999999999995 111.144 179.871 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . 0.478 ' HE1' HD12 ' I' ' 17' ' ' LEU . 1.9 m-85 -109.08 136.38 48.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.166 -0.47 . . . . 75.310000000000002 110.915 -179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . 0.682 ' HE1' HG22 ' I' ' 31' ' ' ILE . 19.8 m-85 59.67 34.23 22.1 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.129 -0.487 . . . . 74.129999999999995 110.911 -179.872 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . 0.832 ' HB2' HG12 ' I' ' 18' ' ' VAL . . . -88.38 126.36 35.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 50.329999999999998 111.069 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 63.31 72.44 0.48 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 74.549999999999997 110.883 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.421 HG23 ' ND2' ' H' ' 27' ' ' ASN . 6.6 p -140.49 137.72 36.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.216 -0.447 . . . . 71.299999999999997 111.154 -179.983 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.28 -91.41 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.718 -0.753 . . . . 40.030000000000001 112.519 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 25.9 m -123.19 141.74 51.65 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.855 0.359 . . . . 74.040000000000006 110.86 -179.758 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . 0.41 ' N ' HD22 ' I' ' 27' ' ' ASN . 1.4 m-80 -101.61 99.49 9.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 63.509999999999998 110.884 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.38 171.4 7.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 45.32 110.918 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 50.96 -129.06 30.93 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.71 -0.757 . . . . 62.43 112.472 179.935 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.728 ' O ' HD12 ' H' ' 31' ' ' ILE . . . -101.7 113.27 26.27 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.76 0.314 . . . . 74.319999999999993 111.075 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.705 HD12 ' O ' ' J' ' 30' ' ' ALA . 0.2 OUTLIER -126.73 117.22 47.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 73.340000000000003 111.145 179.982 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . 0.669 HG21 ' HG3' ' I' ' 35' ' ' MET . 5.4 mt -129.75 119.26 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 70.219999999999999 111.114 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.85 -58.14 8.88 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.754 -0.736 . . . . 74.319999999999993 112.454 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.872 HD22 ' O ' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -152.29 147.61 26.56 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.793 0.33 . . . . 73.409999999999997 110.949 -179.95 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . 0.669 ' HG3' HG21 ' I' ' 32' ' ' ILE . 11.1 mtp -130.55 121.88 26.54 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 73.439999999999998 110.893 179.844 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.898 HG11 HG11 ' D' ' 36' ' ' VAL . 47.1 t -132.66 117.38 30.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.263 -0.426 . . . . 73.420000000000002 111.148 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.98 26.72 58.64 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.753 -0.737 . . . . 40.409999999999997 112.499 -179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.86 157.98 21.24 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.791 -0.719 . . . . 45.100000000000001 112.492 -179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 0.864 HG22 HG12 ' J' ' 39' ' ' VAL . 5.2 m -123.52 178.11 3.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.855 0.36 . . . . 64.120000000000005 111.143 -179.977 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . 0.739 HG22 ' HA ' ' H' ' 40' ' ' VAL . 16.9 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.173 -0.467 . . . . 50.049999999999997 111.126 179.889 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 1.5 m-20 . . . . . 0 C--O 1.23 0.05 0 CA-C-O 120.826 0.346 . . . . 74.329999999999998 110.841 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -98.12 83.49 3.12 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.459 . . . . 61.32 111.072 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -51.74 -30.06 21.03 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 73.129999999999995 110.916 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' J' J ' 4' ' ' PHE . . . . . 0.627 ' CZ ' ' HB2' ' E' ' 30' ' ' ALA . 1.7 m-85 -157.55 114.61 2.99 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.144 -0.48 . . . . 75.140000000000001 110.875 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -131.98 107.34 8.62 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 63.119999999999997 110.883 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 2.3 t60 -115.73 130.48 56.86 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.436 . . . . 73.140000000000001 110.867 179.987 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 24.4 t0 -132.78 101.55 5.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 74.200000000000003 110.857 -179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 10.2 m -145.66 170.6 16.15 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 70.5 110.824 -179.759 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.01 -8.86 53.45 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.695 -0.764 . . . . 75.200000000000003 112.486 -179.997 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -171.69 112.15 0.32 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.814 0.34 . . . . 72.010000000000005 110.912 -179.808 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 0.9 OUTLIER -95.32 121.68 37.24 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 73.099999999999994 110.915 179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 57.2 t -123.61 122.6 65.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.239999999999995 111.134 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 84.3 m-70 -139.07 116.21 11.03 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.472 . . . . 71.540000000000006 110.871 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 24.6 m-70 -136.84 135.66 38.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 74.120000000000005 110.873 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 2.3 mm-40 -122.63 138.34 54.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 74.540000000000006 110.906 -179.904 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . 0.692 ' O ' HD22 ' J' ' 17' ' ' LEU . 8.2 tptm -122.53 114.87 21.25 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.212 -0.449 . . . . 73.200000000000003 110.892 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.692 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.5 mm? -130.67 105.48 7.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.218 -0.447 . . . . 71.5 110.892 179.9 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.772 HG12 ' HB2' ' J' ' 21' ' ' ALA . 0.2 OUTLIER -113.36 120.66 63.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 73.140000000000001 111.132 179.801 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.493 ' HE1' HD12 ' J' ' 17' ' ' LEU . 1.6 m-85 -111.21 134.27 52.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.15 -0.477 . . . . 62.219999999999999 110.898 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . 0.598 ' HE1' HG22 ' J' ' 31' ' ' ILE . 21.6 m-85 57.57 34.99 25.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 74.209999999999994 110.842 -179.94 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . 0.772 ' HB2' HG12 ' J' ' 18' ' ' VAL . . . -90.89 128.33 36.72 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.137 -0.483 . . . . 70.450000000000003 111.082 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER 62.49 73.14 0.47 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.255 -0.43 . . . . 74.439999999999998 110.825 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . . . . . . . . . 6.2 p -141.63 136.03 31.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.246 -0.434 . . . . 62.409999999999997 111.182 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.4 -89.41 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.734 -0.746 . . . . 71.329999999999998 112.48 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 26.2 m -125.26 139.63 53.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.885 0.374 . . . . 73.420000000000002 110.857 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 1.4 m-80 -100.61 99.52 10.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.101 -0.5 . . . . 62.32 110.891 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -114.15 171.37 7.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 74.519999999999996 110.871 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . 0.402 ' HA2' ' HA ' ' E' ' 3' ' ' GLU . . . 51.78 -130.46 35.45 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.737 -0.744 . . . . 63.149999999999999 112.421 179.897 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 0.705 ' O ' HD12 ' I' ' 31' ' ' ILE . . . -102.67 113.07 26.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 63.240000000000002 111.107 -179.974 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.598 HG22 ' HE1' ' J' ' 20' ' ' PHE . 0.3 OUTLIER -127.74 118.26 48.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.219 -0.446 . . . . 74.340000000000003 111.125 179.991 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . 0.637 HG21 ' HG3' ' J' ' 35' ' ' MET . 5.4 mt -126.16 120.45 56.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.123 -0.49 . . . . 71.150000000000006 111.144 179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . 0.424 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -51.23 -54.72 22.28 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 73.519999999999996 112.481 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.831 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -152.9 150.57 29.42 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.83 0.348 . . . . 64.329999999999998 110.892 -179.889 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . 0.637 ' HG3' HG21 ' J' ' 32' ' ' ILE . 10.8 mtp -134.25 120.18 19.67 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 71.299999999999997 110.895 179.835 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.747 HG11 HG11 ' E' ' 36' ' ' VAL . 46.5 t -134.46 115.35 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.254 -0.43 . . . . 74.340000000000003 111.132 179.975 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 57.2 27.33 57.49 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.738 -0.744 . . . . 43.210000000000001 112.467 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -127.09 159.82 21.26 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.733 -0.746 . . . . 74.409999999999997 112.47 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.864 HG12 HG22 ' I' ' 39' ' ' VAL . 10.3 m -123.86 177.78 4.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.876 0.37 . . . . 12.01 111.13 -179.949 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.732 HG22 ' HA ' ' I' ' 40' ' ' VAL . 18.2 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 75.299999999999997 111.117 179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.83 0.347 . . . . 51.020000000000003 110.84 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.0 91.62 3.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 74.140000000000001 111.118 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.91 -38.73 83.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 63.219999999999999 110.865 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.687 ' CE1' ' HB2' ' F' ' 30' ' ' ALA . 4.7 m-85 -146.98 112.32 5.54 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.148 -0.478 . . . . 71.319999999999993 110.907 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -138.02 108.58 6.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 74.349999999999994 110.894 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 65.4 t60 -110.6 130.25 55.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 63.340000000000003 110.808 -179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -135.03 101.5 4.9 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.175 -0.466 . . . . 73.200000000000003 110.861 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.414 ' O ' ' HA ' ' B' ' 8' ' ' SER . 54.9 p -148.8 177.38 9.58 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.195 -0.457 . . . . 74.239999999999995 110.883 -179.785 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.97 -10.58 45.62 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.756 -0.735 . . . . 41.200000000000003 112.521 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.38 115.43 0.32 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.829 0.347 . . . . 73.400000000000006 110.919 -179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -107.19 120.66 42.72 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.139 -0.482 . . . . 61.399999999999999 110.864 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 36.8 t -132.88 113.99 21.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.159 -0.473 . . . . 61.039999999999999 111.107 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 67.4 m170 -114.0 126.35 55.03 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.178 -0.464 . . . . 70.239999999999995 110.853 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -136.53 119.22 16.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 63.399999999999999 110.881 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.412 ' HB3' HG11 ' F' ' 39' ' ' VAL . 0.0 OUTLIER -131.43 133.67 45.44 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 74.219999999999999 110.941 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.569 ' HD3' HG13 ' A' ' 18' ' ' VAL . 0.1 OUTLIER -129.84 116.59 18.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.232 -0.44 . . . . 72.530000000000001 110.885 179.978 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.466 HD12 ' HE1' ' A' ' 19' ' ' PHE . 3.8 mm? -112.86 112.59 24.18 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.228 -0.442 . . . . 72.329999999999998 110.92 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.726 HG12 ' CG2' ' B' ' 18' ' ' VAL . 27.6 m -115.88 120.53 65.06 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.21 -0.45 . . . . 74.400000000000006 111.107 179.877 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.466 ' HE1' HD12 ' A' ' 17' ' ' LEU . 9.4 m-30 -102.99 114.98 29.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.129 -0.487 . . . . 72.209999999999994 110.87 -179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.464 ' CE2' HG22 ' A' ' 31' ' ' ILE . 14.6 m-30 50.44 74.0 0.24 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 64.420000000000002 110.888 -179.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.75 130.86 39.58 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.132 -0.485 . . . . 71.120000000000005 111.064 179.973 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 63.09 88.07 0.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.195 -0.457 . . . . 74.019999999999996 110.854 179.941 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.583 ' CG1' HG23 ' B' ' 24' ' ' VAL . 10.7 p -126.13 137.28 58.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.171 -0.468 . . . . 74.329999999999998 111.187 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.07 -45.68 96.09 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.707 -0.758 . . . . 73.540000000000006 112.497 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 7.9 m -166.97 133.71 2.36 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.865 0.364 . . . . 71.0 110.842 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.405 ' OD1' HG21 ' A' ' 31' ' ' ILE . 24.0 m-20 -102.08 101.21 11.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.151 -0.477 . . . . 62.109999999999999 110.909 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.81 159.55 20.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.211 -0.45 . . . . 61.350000000000001 110.895 179.91 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.95 -130.64 42.41 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.77 -0.729 . . . . 72.310000000000002 112.505 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.679 ' HB2' ' CE1' ' F' ' 4' ' ' PHE . . . -101.76 114.4 28.42 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.761 0.315 . . . . 53.240000000000002 111.097 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.864 HD13 HG23 ' B' ' 31' ' ' ILE . 0.2 OUTLIER -121.5 111.61 31.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.221 -0.445 . . . . 71.0 111.114 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 5.3 mt -128.5 111.26 23.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.188 -0.46 . . . . 62.049999999999997 111.106 179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -45.21 -52.39 8.41 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.753 -0.737 . . . . 43.009999999999998 112.446 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.808 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -158.27 155.4 28.81 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.775 0.322 . . . . 74.400000000000006 110.928 -179.941 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -133.62 126.06 30.07 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 53.25 110.931 179.81 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.498 HG11 HG11 ' F' ' 36' ' ' VAL . 3.2 p -134.49 111.64 14.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.243 -0.435 . . . . 60.340000000000003 111.138 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.63 18.49 70.13 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.781 -0.724 . . . . 71.450000000000003 112.469 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.46 -165.19 27.39 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.754 -0.736 . . . . 33.439999999999998 112.522 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.741 HG13 HG23 ' B' ' 39' ' ' VAL . 6.8 p -168.57 142.84 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-O 120.881 0.372 . . . . 64.120000000000005 111.154 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.622 HG12 HG22 ' B' ' 40' ' ' VAL . 31.8 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.21 -0.45 . . . . 55.109999999999999 111.133 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.793 0.33 . . . . 73.530000000000001 110.921 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.81 91.62 3.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 53.350000000000001 111.09 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -59.27 -37.21 77.07 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 64.540000000000006 110.887 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.686 ' CE1' ' HB2' ' G' ' 30' ' ' ALA . 5.7 m-85 -148.34 111.89 5.02 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.15 -0.477 . . . . 64.450000000000003 110.882 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.73 108.32 7.93 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 73.530000000000001 110.853 -179.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 72.3 t60 -110.97 129.39 55.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.194 -0.457 . . . . 53.5 110.875 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -134.38 101.19 4.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 60.5 110.853 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.44 ' O ' ' HA ' ' C' ' 8' ' ' SER . 55.0 p -148.9 176.82 10.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.462 . . . . 71.230000000000004 110.85 -179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.32 -10.98 43.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.684 -0.77 . . . . 74.340000000000003 112.498 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.44 113.88 0.29 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.862 0.363 . . . . 53.299999999999997 110.897 -179.801 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -104.74 120.33 41.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 71.310000000000002 110.88 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 36.1 t -131.37 113.87 24.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.137 -0.483 . . . . 72.420000000000002 111.136 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 67.5 m170 -114.53 126.36 54.84 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 70.439999999999998 110.848 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 4.9 m-70 -136.61 120.03 16.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.214 -0.448 . . . . 73.140000000000001 110.8 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.06 133.13 45.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.186 -0.461 . . . . 71.310000000000002 110.923 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.479 ' HD3' HG13 ' B' ' 18' ' ' VAL . 0.1 OUTLIER -126.85 118.73 25.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.235 -0.439 . . . . 74.099999999999994 110.917 179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.52 HD12 ' HE1' ' B' ' 19' ' ' PHE . 3.4 mm? -117.58 111.73 19.6 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.279 -0.419 . . . . 61.240000000000002 110.944 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.726 ' CG2' HG12 ' A' ' 18' ' ' VAL . 29.4 m -117.43 120.98 66.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 73.450000000000003 111.131 179.836 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.52 ' HE1' HD12 ' B' ' 17' ' ' LEU . 5.1 m-30 -101.86 116.65 33.18 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.129 -0.487 . . . . 72.439999999999998 110.855 -179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.664 ' CE2' HG22 ' B' ' 31' ' ' ILE . 13.9 m-30 50.64 73.22 0.29 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.144 -0.48 . . . . 75.140000000000001 110.929 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.49 131.32 37.73 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.12 -0.491 . . . . 43.539999999999999 111.092 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.61 88.18 0.1 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 63.130000000000003 110.888 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.605 ' CG1' HG23 ' C' ' 24' ' ' VAL . 12.4 p -127.25 135.6 63.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.167 -0.469 . . . . 51.030000000000001 111.159 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.87 -44.5 97.35 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.712 -0.756 . . . . 74.209999999999994 112.46 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 9.4 m -166.59 133.75 2.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.908 0.385 . . . . 74.409999999999997 110.835 -179.751 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -102.47 101.1 11.28 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.09 -0.505 . . . . 72.230000000000004 110.871 -179.965 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -115.1 160.05 20.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.133 -0.485 . . . . 63.119999999999997 110.876 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.88 -131.12 39.85 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 71.239999999999995 112.468 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.689 ' O ' HD12 ' A' ' 31' ' ' ILE . . . -101.79 114.19 28.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.74 0.305 . . . . 62.329999999999998 111.123 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.864 HG23 HD13 ' A' ' 31' ' ' ILE . 0.2 OUTLIER -122.31 111.37 30.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.214 -0.448 . . . . 53.32 111.154 179.968 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 mt -127.03 112.97 30.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.213 -0.449 . . . . 65.0 111.146 179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.2 -54.26 6.31 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.699 -0.763 . . . . 54.509999999999998 112.501 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.816 ' N ' HD13 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -155.09 153.65 31.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.821 0.344 . . . . 63.329999999999998 110.873 -179.911 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.8 mtp -128.13 122.44 31.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 65.450000000000003 110.861 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.451 ' O ' HG13 ' B' ' 36' ' ' VAL . 3.4 p -137.0 111.61 10.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.248 -0.433 . . . . 75.019999999999996 111.124 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.64 18.67 66.23 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.711 -0.757 . . . . 52.520000000000003 112.488 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.09 -165.55 27.8 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.7 -0.762 . . . . 75.340000000000003 112.454 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.76 HG13 HG23 ' C' ' 39' ' ' VAL . 6.9 p -168.15 141.53 0.8 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.917 0.389 . . . . 63.009999999999998 111.104 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.622 HG22 HG12 ' A' ' 40' ' ' VAL . 24.3 m . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 72.310000000000002 111.139 179.936 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 . . . . . 0 C--O 1.232 0.132 0 CA-C-O 120.837 0.351 . . . . 60.25 110.884 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.29 92.02 3.71 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 62.100000000000001 111.116 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -59.93 -36.21 76.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 72.299999999999997 110.927 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . 0.689 ' CE1' ' HB2' ' H' ' 30' ' ' ALA . 5.6 m-85 -148.29 111.87 5.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 74.310000000000002 110.888 -179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.26 107.87 8.41 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.124 -0.489 . . . . 75.430000000000007 110.867 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 67.4 t60 -112.27 128.75 56.35 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 72.420000000000002 110.864 179.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -133.71 101.58 5.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.204 -0.453 . . . . 74.230000000000004 110.847 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . 0.441 ' O ' ' HA ' ' D' ' 8' ' ' SER . 54.8 p -148.78 176.38 10.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.209 -0.451 . . . . 75.129999999999995 110.838 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.73 -10.83 42.44 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.762 -0.732 . . . . 63.5 112.485 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.47 113.6 0.28 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.817 0.341 . . . . 73.230000000000004 110.941 -179.76 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -105.02 120.7 42.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.136 -0.484 . . . . 71.420000000000002 110.851 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 38.3 t -131.99 114.16 23.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.125 -0.489 . . . . 74.439999999999998 111.127 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -114.14 126.78 55.46 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.154 -0.475 . . . . 74.239999999999995 110.872 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -136.29 120.35 17.68 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 61.509999999999998 110.863 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.405 ' NE2' HD23 ' C' ' 17' ' ' LEU . 0.0 OUTLIER -131.76 132.87 44.18 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.19 -0.459 . . . . 64.319999999999993 110.939 -179.927 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.92 119.31 28.41 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.214 -0.448 . . . . 71.140000000000001 110.877 179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.498 HD12 ' HE1' ' C' ' 19' ' ' PHE . 3.7 mm? -119.41 111.01 17.62 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 73.409999999999997 110.879 179.927 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.717 ' CG2' HG12 ' B' ' 18' ' ' VAL . 26.8 m -117.87 121.5 67.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.221 -0.445 . . . . 74.120000000000005 111.162 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.498 ' HE1' HD12 ' C' ' 17' ' ' LEU . 4.0 m-30 -101.77 115.04 29.65 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.218 -0.446 . . . . 75.140000000000001 110.91 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.724 ' CE2' HG22 ' C' ' 31' ' ' ILE . 13.0 m-30 51.77 73.11 0.34 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.183 -0.462 . . . . 65.040000000000006 110.884 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.64 130.81 38.17 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.154 -0.476 . . . . 43.340000000000003 111.095 179.92 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.49 87.56 0.1 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.222 -0.444 . . . . 75.200000000000003 110.875 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.608 ' CG1' HG23 ' D' ' 24' ' ' VAL . 12.9 p -126.94 135.78 62.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 74.219999999999999 111.115 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.87 -44.89 96.76 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.702 -0.761 . . . . 73.129999999999995 112.468 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 9.6 m -166.5 133.7 2.6 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.886 0.374 . . . . 73.439999999999998 110.852 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -102.48 101.02 11.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.481 . . . . 74.400000000000006 110.847 -179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.93 160.22 19.79 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 72.430000000000007 110.922 179.88 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.42 -131.26 38.19 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.788 -0.72 . . . . 71.349999999999994 112.471 179.904 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.708 ' O ' HD12 ' B' ' 31' ' ' ILE . . . -101.86 113.61 26.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.81 0.338 . . . . 52.520000000000003 111.061 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.806 HG23 HD13 ' B' ' 31' ' ' ILE . 0.2 OUTLIER -122.69 111.46 30.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 72.409999999999997 111.086 179.975 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mt -126.15 113.3 33.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 63.119999999999997 111.157 179.808 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -43.61 -55.0 5.51 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.8 -0.714 . . . . 74.040000000000006 112.482 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.828 ' N ' HD13 ' C' ' 34' ' ' LEU . 0.0 OUTLIER -153.54 152.58 31.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.816 0.341 . . . . 72.530000000000001 110.922 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -127.96 121.2 29.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.164 -0.471 . . . . 73.230000000000004 110.849 179.845 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.443 ' O ' HG13 ' C' ' 36' ' ' VAL . 3.3 p -138.08 112.4 8.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 70.340000000000003 111.168 179.975 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.89 19.29 65.36 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.734 -0.746 . . . . 41.43 112.498 -179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.84 -165.17 28.02 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 32.030000000000001 112.506 -179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.76 HG23 HG13 ' B' ' 39' ' ' VAL . 6.5 p -167.88 141.11 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 120.914 0.388 . . . . 70.239999999999995 111.111 -179.988 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.608 HG22 HG12 ' B' ' 40' ' ' VAL . 25.0 m . . . . . 0 C--N 1.33 -0.255 0 CA-C-N 116.171 -0.468 . . . . 73.409999999999997 111.137 179.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 13.2 m-20 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.787 0.327 . . . . 75.209999999999994 110.836 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.35 91.99 3.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.183 -0.462 . . . . 70.5 111.085 179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mp0 -59.64 -35.81 75.13 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.191 -0.458 . . . . 63.399999999999999 110.889 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . 0.672 ' CE1' ' HB2' ' I' ' 30' ' ' ALA . 5.8 m-85 -148.31 111.63 4.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 75.540000000000006 110.9 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.54 107.58 8.97 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 75.099999999999994 110.87 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 65.5 t60 -113.58 128.2 56.35 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 75.120000000000005 110.896 179.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -132.73 101.59 5.34 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.264 -0.426 . . . . 71.299999999999997 110.882 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . 0.441 ' HA ' ' O ' ' C' ' 8' ' ' SER . 55.0 p -148.74 175.41 11.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 65.439999999999998 110.905 -179.791 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.91 -10.53 42.71 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.807 -0.711 . . . . 72.439999999999998 112.525 -179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.28 113.88 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.842 0.354 . . . . 65.430000000000007 110.923 -179.842 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -106.48 121.17 43.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 74.310000000000002 110.922 179.971 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 38.8 t -132.6 114.41 22.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.185 -0.462 . . . . 50.399999999999999 111.137 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -114.1 126.54 55.2 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.178 -0.465 . . . . 75.200000000000003 110.889 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -135.3 121.4 20.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.247 -0.433 . . . . 64.129999999999995 110.895 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . 0.421 ' NE2' HD23 ' D' ' 17' ' ' LEU . 0.0 OUTLIER -132.55 133.22 43.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.209 -0.451 . . . . 73.150000000000006 110.918 -179.923 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -123.6 118.95 28.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 74.420000000000002 110.912 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.479 HD12 ' HE1' ' D' ' 19' ' ' PHE . 3.6 mm? -120.68 110.56 16.55 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 74.340000000000003 110.924 179.907 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.692 HG12 ' CG2' ' E' ' 18' ' ' VAL . 27.4 m -117.67 122.57 70.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 71.230000000000004 111.148 179.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.479 ' HE1' HD12 ' D' ' 17' ' ' LEU . 3.1 m-30 -102.16 112.94 25.8 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.45 . . . . 74.340000000000003 110.903 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.763 ' CE2' HG22 ' D' ' 31' ' ' ILE . 13.7 m-30 52.67 72.14 0.43 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 65.219999999999999 110.866 -179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.54 130.4 38.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.134 -0.485 . . . . 44.310000000000002 111.079 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.49 87.31 0.1 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 73.450000000000003 110.819 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.641 ' CG1' HG23 ' E' ' 24' ' ' VAL . 12.5 p -126.83 135.73 62.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.212 -0.449 . . . . 75.049999999999997 111.151 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.47 -45.03 96.74 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.745 -0.74 . . . . 70.239999999999995 112.467 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 9.5 m -166.4 133.3 2.57 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.865 0.364 . . . . 72.540000000000006 110.832 -179.714 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 23.1 m-20 -102.41 100.5 10.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.169 -0.469 . . . . 72.530000000000001 110.902 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.96 160.53 19.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 74.129999999999995 110.92 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.85 -131.34 36.82 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.736 -0.745 . . . . 74.310000000000002 112.513 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.733 ' O ' HD12 ' C' ' 31' ' ' ILE . . . -101.84 113.54 26.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.72 0.295 . . . . 72.310000000000002 111.121 179.979 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.763 HG22 ' CE2' ' D' ' 20' ' ' PHE . 0.2 OUTLIER -122.99 111.44 29.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 116.231 -0.44 . . . . 74.340000000000003 111.128 179.976 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mt -125.44 114.01 37.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.119 -0.491 . . . . 73.010000000000005 111.095 179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.33 -55.98 5.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.768 -0.73 . . . . 72.129999999999995 112.475 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.823 ' N ' HD13 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -151.42 151.97 32.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.766 0.317 . . . . 74.409999999999997 110.936 -179.887 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 3.0 mtp -128.52 119.93 25.78 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 60.140000000000001 110.888 179.807 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.448 ' O ' HG13 ' D' ' 36' ' ' VAL . 3.2 p -138.36 111.6 7.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.234 -0.439 . . . . 74.040000000000006 111.112 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.14 19.78 66.4 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.773 -0.727 . . . . 71.030000000000001 112.499 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.45 -165.18 28.46 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.692 -0.766 . . . . 64.430000000000007 112.431 -179.89 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.743 HG23 HG13 ' C' ' 39' ' ' VAL . 6.3 p -168.15 141.88 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.868 0.366 . . . . 52.420000000000002 111.115 -179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.525 HG22 HG12 ' C' ' 40' ' ' VAL . 25.8 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.153 -0.476 . . . . 75.140000000000001 111.123 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 13.0 m-20 . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.875 0.369 . . . . 74.409999999999997 110.815 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -118.01 91.54 3.59 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.459 . . . . 61.299999999999997 111.081 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -58.53 -35.36 72.17 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 54.409999999999997 110.882 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . 0.655 ' CE1' ' HB2' ' J' ' 30' ' ' ALA . 5.5 m-85 -148.89 113.37 5.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.143 -0.481 . . . . 73.450000000000003 110.901 -179.92 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.75 106.49 8.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.172 -0.467 . . . . 63.140000000000001 110.851 -179.891 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 63.4 t60 -114.31 128.34 56.31 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 70.200000000000003 110.905 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 19.7 t0 -131.34 100.67 5.25 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.227 -0.442 . . . . 64.140000000000001 110.917 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . 0.407 ' HA ' ' O ' ' D' ' 8' ' ' SER . 54.8 p -149.54 170.86 17.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.187 -0.46 . . . . 43.219999999999999 110.863 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.94 -9.21 49.59 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.727 -0.749 . . . . 43.420000000000002 112.526 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -171.02 111.97 0.37 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 64.129999999999995 110.91 -179.804 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -109.29 120.5 42.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.11 -0.496 . . . . 65.409999999999997 110.896 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 34.1 t -132.16 116.72 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.113 -0.494 . . . . 73.319999999999993 111.102 179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 66.4 m170 -114.54 126.47 54.96 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.125 -0.489 . . . . 73.120000000000005 110.828 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -133.02 123.13 25.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.19 -0.459 . . . . 75.129999999999995 110.818 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.438 ' NE2' HD23 ' E' ' 17' ' ' LEU . 0.0 OUTLIER -133.87 134.22 42.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 64.349999999999994 110.89 -179.973 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . 0.4 ' O ' HD22 ' E' ' 17' ' ' LEU . 0.1 OUTLIER -123.96 117.27 24.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 74.239999999999995 110.911 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.438 HD23 ' NE2' ' E' ' 15' ' ' GLN . 3.8 mm? -120.82 107.38 12.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 51.32 110.89 179.94 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.692 ' CG2' HG12 ' D' ' 18' ' ' VAL . 30.9 m -114.23 124.36 70.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.179 -0.464 . . . . 70.549999999999997 111.128 179.775 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . . . . . . . . . 2.5 m-30 -102.68 112.92 25.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.136 -0.483 . . . . 73.319999999999993 110.898 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.774 ' CE2' HG22 ' E' ' 31' ' ' ILE . 14.6 m-30 51.89 71.93 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 65.319999999999993 110.87 -179.948 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.31 131.07 38.79 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 75.099999999999994 111.099 179.942 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 62.1 87.06 0.1 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.241 -0.436 . . . . 61.329999999999998 110.864 -179.99 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.641 HG23 ' CG1' ' D' ' 24' ' ' VAL . 14.1 p -127.42 135.15 64.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.202 -0.454 . . . . 63.210000000000001 111.137 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.75 -45.09 96.47 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.741 -0.742 . . . . 63.039999999999999 112.479 179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 9.4 m -166.38 132.52 2.43 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.872 0.368 . . . . 73.040000000000006 110.873 -179.727 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 23.3 m-20 -102.1 100.02 10.22 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.127 -0.488 . . . . 71.140000000000001 110.883 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.94 161.26 18.53 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.177 -0.465 . . . . 65.109999999999999 110.88 179.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.5 -131.53 35.01 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 73.230000000000004 112.48 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.738 ' O ' HD12 ' D' ' 31' ' ' ILE . . . -101.57 113.65 26.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.754 0.312 . . . . 70.430000000000007 111.122 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.774 HG22 ' CE2' ' E' ' 20' ' ' PHE . 0.2 OUTLIER -122.05 110.36 27.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.251 -0.431 . . . . 43.43 111.125 -179.997 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 4.2 mt -121.72 110.79 28.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.166 -0.47 . . . . 75.420000000000002 111.156 179.871 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . 0.544 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -44.09 -52.15 7.07 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.781 -0.723 . . . . 72.329999999999998 112.473 179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.763 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -152.23 152.85 32.72 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.813 0.339 . . . . 72.109999999999999 110.93 -179.896 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.1 mtp -130.33 119.38 22.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 72.439999999999998 110.921 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.452 ' O ' HG13 ' E' ' 36' ' ' VAL . 3.5 p -141.98 112.09 2.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 65.310000000000002 111.132 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.23 19.49 61.85 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.784 -0.722 . . . . 54.420000000000002 112.468 179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.6 -165.64 29.5 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.686 -0.768 . . . . 63.32 112.498 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.726 HG23 HG13 ' D' ' 39' ' ' VAL . 6.8 p -167.82 141.85 0.86 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.873 0.368 . . . . 72.439999999999998 111.161 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.503 HG22 HG12 ' D' ' 40' ' ' VAL . 28.0 m . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 72.319999999999993 111.123 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 . . . . . 0 C--O 1.23 0.073 0 CA-C-O 120.833 0.349 . . . . 75.510000000000005 110.875 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.59 91.05 3.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.19 -0.459 . . . . 75.209999999999994 111.082 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.77 -39.84 78.39 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.235 -0.439 . . . . 43.200000000000003 110.881 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . 0.679 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 5.3 m-85 -147.31 113.42 5.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.158 -0.474 . . . . 75.209999999999994 110.905 -179.902 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -137.14 108.72 6.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 72.129999999999995 110.877 -179.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 66.1 t60 -110.13 129.72 55.66 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.171 -0.468 . . . . 62.420000000000002 110.847 -180.0 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 19.4 t0 -134.76 101.82 5.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 71.019999999999996 110.817 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' G' ' 8' ' ' SER . 54.9 p -148.72 177.08 9.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.178 -0.464 . . . . 75.209999999999994 110.838 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.34 -10.18 45.53 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.731 -0.747 . . . . 63.409999999999997 112.465 -179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.36 115.46 0.32 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.885 0.374 . . . . 71.040000000000006 110.926 -179.793 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 -106.54 120.25 41.43 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.172 -0.467 . . . . 64.200000000000003 110.91 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 38.8 t -132.56 113.95 21.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 74.540000000000006 111.117 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 66.9 m170 -114.45 127.04 55.62 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.141 -0.481 . . . . 73.109999999999999 110.9 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -137.15 119.32 15.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.264 -0.425 . . . . 74.109999999999999 110.839 -179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . 0.435 ' HB3' HG11 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -131.6 133.18 44.71 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.215 -0.448 . . . . 74.129999999999995 110.894 -179.905 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . 0.56 ' HD3' HG13 ' F' ' 18' ' ' VAL . 0.1 OUTLIER -130.24 116.62 18.65 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 74.120000000000005 110.87 179.974 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.462 HD12 ' HE1' ' F' ' 19' ' ' PHE . 3.7 mm? -113.16 112.78 24.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.235 -0.439 . . . . 73.430000000000007 110.903 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.726 HG12 ' CG2' ' G' ' 18' ' ' VAL . 27.5 m -115.95 120.66 65.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 52.009999999999998 111.159 179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.462 ' HE1' HD12 ' F' ' 17' ' ' LEU . 9.6 m-30 -102.79 115.21 30.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.18 -0.464 . . . . 71.420000000000002 110.886 -179.953 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . 0.466 ' CE2' HG22 ' F' ' 31' ' ' ILE . 14.4 m-30 50.46 74.08 0.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.187 -0.46 . . . . 72.230000000000004 110.866 -179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -94.01 130.71 40.04 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.15 -0.477 . . . . 72.430000000000007 111.106 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 63.66 88.12 0.1 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 60.5 110.872 179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.585 ' CG1' HG23 ' G' ' 24' ' ' VAL . 9.4 p -125.98 137.0 59.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.236 -0.438 . . . . 71.549999999999997 111.144 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.65 -45.5 96.17 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.755 -0.736 . . . . 42.539999999999999 112.5 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 10.1 m -166.34 133.0 2.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.845 0.355 . . . . 53.130000000000003 110.893 -179.812 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -100.33 99.82 10.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.165 -0.47 . . . . 72.209999999999994 110.893 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.44 160.09 19.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 63.219999999999999 110.917 179.865 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 62.38 -132.58 44.98 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.701 -0.761 . . . . 55.020000000000003 112.538 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.687 ' HB2' ' CE1' ' A' ' 4' ' ' PHE . . . -100.61 114.18 27.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.748 0.308 . . . . 52.340000000000003 111.099 179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.854 HD13 HG23 ' G' ' 31' ' ' ILE . 0.2 OUTLIER -120.53 113.23 39.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.192 -0.458 . . . . 72.030000000000001 111.14 179.961 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 5.5 mt -130.3 110.81 19.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 53.009999999999998 111.118 179.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.78 -53.1 7.42 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.74 -0.743 . . . . 42.520000000000003 112.482 179.903 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.8 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -158.52 154.84 27.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.785 0.326 . . . . 64.099999999999994 110.891 -179.914 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -133.39 125.52 29.28 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.193 -0.458 . . . . 71.409999999999997 110.911 179.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.498 HG11 HG11 ' A' ' 36' ' ' VAL . 3.3 p -134.52 112.24 15.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.204 -0.453 . . . . 51.219999999999999 111.149 179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.39 17.77 70.83 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.667 -0.778 . . . . 73.25 112.485 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.91 -165.11 26.94 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.74 -0.743 . . . . 64.230000000000004 112.486 -179.88 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.754 HG13 HG23 ' G' ' 39' ' ' VAL . 7.7 p -168.96 144.31 0.83 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-O 120.901 0.382 . . . . 63.420000000000002 111.1 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.504 HG12 HG22 ' G' ' 40' ' ' VAL . 28.6 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.182 -0.463 . . . . 65.230000000000004 111.138 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 12.8 m-20 . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.841 0.353 . . . . 72.510000000000005 110.865 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.33 90.67 3.39 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.193 -0.458 . . . . 73.329999999999998 111.084 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.89 -39.89 78.97 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.237 -0.438 . . . . 64.340000000000003 110.9 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 4' ' ' PHE . . . . . 0.673 ' CZ ' ' HB2' ' B' ' 30' ' ' ALA . 5.7 m-85 -147.87 113.02 5.52 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.112 -0.495 . . . . 63.119999999999997 110.868 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -134.47 108.65 8.24 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.118 -0.492 . . . . 75.310000000000002 110.838 -179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -110.78 128.97 55.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 72.530000000000001 110.898 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -134.1 101.62 5.1 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.189 -0.46 . . . . 74.239999999999995 110.843 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . 0.431 ' O ' ' HA ' ' H' ' 8' ' ' SER . 55.6 p -148.83 176.32 10.5 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 64.340000000000003 110.823 -179.764 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.31 -10.72 44.11 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.733 -0.746 . . . . 54.310000000000002 112.459 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.4 113.74 0.29 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.811 0.339 . . . . 70.230000000000004 110.889 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -103.98 119.98 40.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.14 -0.482 . . . . 73.150000000000006 110.882 179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 37.6 t -131.04 113.71 24.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.449 . . . . 61.119999999999997 111.139 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 66.8 m170 -114.56 127.14 55.64 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.189 -0.459 . . . . 74.010000000000005 110.911 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 5.2 m-70 -137.5 119.72 15.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.263 -0.426 . . . . 75.120000000000005 110.855 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -130.99 132.93 45.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.451 . . . . 74.5 110.893 -179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . 0.471 ' HD3' HG13 ' G' ' 18' ' ' VAL . 0.1 OUTLIER -127.4 118.03 23.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 72.129999999999995 110.932 179.971 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.517 HD12 ' HE1' ' G' ' 19' ' ' PHE . 3.3 mm? -117.24 111.92 20.08 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 71.439999999999998 110.946 179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.726 ' CG2' HG12 ' F' ' 18' ' ' VAL . 30.3 m -117.54 121.17 66.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 71.319999999999993 111.13 179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.517 ' HE1' HD12 ' G' ' 17' ' ' LEU . 5.0 m-30 -101.94 116.51 32.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.177 -0.465 . . . . 65.409999999999997 110.874 -179.955 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 0.673 ' CE2' HG22 ' G' ' 31' ' ' ILE . 13.8 m-30 51.15 73.28 0.31 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.143 -0.48 . . . . 71.129999999999995 110.899 -179.897 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.68 131.2 37.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 62.25 111.118 179.926 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.78 88.56 0.09 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.234 -0.439 . . . . 74.530000000000001 110.871 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.597 ' CG1' HG23 ' H' ' 24' ' ' VAL . 12.2 p -127.35 135.67 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 72.120000000000005 111.143 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -63.18 -44.32 97.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.711 -0.756 . . . . 73.010000000000005 112.524 179.944 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 11.4 m -166.38 133.04 2.52 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.922 0.391 . . . . 51.219999999999999 110.852 -179.731 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 23.8 m-20 -101.08 100.17 10.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.169 -0.469 . . . . 71.409999999999997 110.864 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.54 160.05 19.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.138 -0.483 . . . . 72.25 110.895 179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 63.47 -132.91 41.73 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.741 -0.742 . . . . 62.310000000000002 112.503 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.7 ' O ' HD12 ' F' ' 31' ' ' ILE . . . -100.6 114.21 27.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.791 0.329 . . . . 71.219999999999999 111.085 179.974 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.854 HG23 HD13 ' F' ' 31' ' ' ILE . 0.1 OUTLIER -121.86 112.07 33.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.182 -0.463 . . . . 75.329999999999998 111.174 179.958 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 4.9 mt -127.49 112.8 29.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.212 -0.449 . . . . 64.400000000000006 111.111 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . 0.401 ' HA3' ' HB3' ' G' ' 19' ' ' PHE . . . -44.17 -54.84 6.03 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.735 -0.745 . . . . 73.540000000000006 112.492 179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.82 ' N ' HD13 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -154.94 153.51 31.18 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.846 0.355 . . . . 70.549999999999997 110.89 -179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -128.24 122.41 31.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.147 -0.478 . . . . 44.350000000000001 110.853 179.892 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.438 ' O ' HG13 ' G' ' 36' ' ' VAL . 3.5 p -137.14 112.62 11.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.207 -0.451 . . . . 63.009999999999998 111.122 179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.23 18.35 64.95 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.752 -0.737 . . . . 34.119999999999997 112.459 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -101.23 -165.46 27.65 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.745 -0.741 . . . . 74.430000000000007 112.47 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.769 HG13 HG23 ' H' ' 39' ' ' VAL . 6.9 p -168.77 142.83 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-O 120.897 0.38 . . . . 72.150000000000006 111.09 179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.504 HG22 HG12 ' F' ' 40' ' ' VAL . 25.5 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 74.0 111.106 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 12.9 m-20 . . . . . 0 C--O 1.231 0.118 0 CA-C-O 120.756 0.313 . . . . 65.219999999999999 110.869 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.89 91.23 3.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.215 -0.448 . . . . 72.439999999999998 111.152 179.908 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.9 -38.83 76.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 73.239999999999995 110.921 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 4' ' ' PHE . . . . . 0.673 ' CZ ' ' HB2' ' C' ' 30' ' ' ALA . 5.6 m-85 -147.91 113.12 5.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.155 -0.475 . . . . 62.520000000000003 110.856 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -133.45 108.19 8.51 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 62.140000000000001 110.859 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 68.5 t60 -111.73 128.35 56.06 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.441 . . . . 74.430000000000007 110.871 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 19.2 t0 -133.35 101.63 5.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 71.430000000000007 110.848 179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . 0.431 ' HA ' ' O ' ' G' ' 8' ' ' SER . 54.7 p -148.68 175.97 10.76 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.474 . . . . 70.239999999999995 110.856 -179.832 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.67 -10.61 43.26 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.775 -0.726 . . . . 74.219999999999999 112.507 -179.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.36 113.59 0.29 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.854 0.359 . . . . 72.120000000000005 110.948 -179.817 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -104.29 120.16 40.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.12 -0.491 . . . . 65.239999999999995 110.925 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 37.1 t -131.33 114.06 25.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.183 -0.462 . . . . 70.510000000000005 111.109 179.993 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 67.0 m170 -114.49 127.03 55.6 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 72.219999999999999 110.846 179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -136.95 120.21 16.8 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.18 -0.464 . . . . 65.530000000000001 110.839 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.59 132.89 44.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 61.009999999999998 110.939 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -125.53 118.26 25.38 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 72.439999999999998 110.903 179.991 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.502 HD12 ' HE1' ' H' ' 19' ' ' PHE . 3.6 mm? -118.74 111.33 18.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.234 -0.439 . . . . 71.230000000000004 110.892 179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.716 ' CG2' HG12 ' G' ' 18' ' ' VAL . 30.9 m -118.02 121.68 67.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.238 -0.437 . . . . 75.310000000000002 111.17 179.838 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.502 ' HE1' HD12 ' H' ' 17' ' ' LEU . 4.0 m-30 -101.83 114.69 28.98 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 72.120000000000005 110.888 -179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . 0.738 ' CE2' HG22 ' H' ' 31' ' ' ILE . 13.2 m-30 52.43 72.96 0.37 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.112 -0.495 . . . . 73.010000000000005 110.897 -179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.49 131.06 37.95 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.129 -0.487 . . . . 74.450000000000003 111.086 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.29 88.09 0.09 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.208 -0.451 . . . . 62.329999999999998 110.855 179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.623 ' CG1' HG23 ' I' ' 24' ' ' VAL . 12.6 p -126.9 135.26 64.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 62.43 111.156 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.86 -44.47 97.4 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.741 . . . . 75.340000000000003 112.462 -179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 10.4 m -166.38 132.81 2.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.833 0.349 . . . . 53.210000000000001 110.888 -179.716 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 23.6 m-20 -100.82 99.97 10.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.177 -0.465 . . . . 73.519999999999996 110.93 179.982 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.5 160.23 19.45 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 61.450000000000003 110.832 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.07 -133.48 39.9 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.724 -0.751 . . . . 61.100000000000001 112.483 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . 0.714 ' O ' HD12 ' G' ' 31' ' ' ILE . . . -100.53 113.78 26.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.765 0.317 . . . . 60.109999999999999 111.081 179.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.825 HG23 HD13 ' G' ' 31' ' ' ILE . 0.1 OUTLIER -121.96 112.72 36.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 70.129999999999995 111.116 179.966 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 4.8 mt -126.91 113.08 31.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.172 -0.467 . . . . 75.409999999999997 111.162 179.806 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -43.67 -55.75 5.26 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.712 -0.756 . . . . 50.520000000000003 112.496 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.823 ' N ' HD13 ' H' ' 34' ' ' LEU . 0.0 OUTLIER -153.22 152.37 31.13 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.806 0.336 . . . . 44.420000000000002 110.916 -179.943 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 2.9 mtp -127.39 120.97 29.69 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.141 -0.481 . . . . 72.239999999999995 110.901 179.828 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.442 ' O ' HG13 ' H' ' 36' ' ' VAL . 3.4 p -137.76 112.19 9.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.257 -0.429 . . . . 54.539999999999999 111.103 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.93 18.83 64.93 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.792 -0.718 . . . . 43.219999999999999 112.474 179.956 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.51 -165.65 28.46 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.727 -0.749 . . . . 72.239999999999995 112.48 -179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.769 HG23 HG13 ' G' ' 39' ' ' VAL . 6.4 p -168.54 142.33 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-O 120.832 0.348 . . . . 64.420000000000002 111.142 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . 0.475 HG12 HG22 ' I' ' 40' ' ' VAL . 26.3 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.165 -0.47 . . . . 74.510000000000005 111.127 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.838 0.351 . . . . 72.299999999999997 110.892 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -116.83 91.29 3.54 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 53.25 111.106 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -57.68 -38.56 75.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.234 -0.439 . . . . 72.349999999999994 110.866 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 4' ' ' PHE . . . . . 0.678 ' CZ ' ' HB2' ' D' ' 30' ' ' ALA . 5.5 m-85 -148.03 113.02 5.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 74.430000000000007 110.858 -179.892 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.05 108.01 9.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 65.129999999999995 110.861 -179.915 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 66.3 t60 -112.95 127.78 56.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 63.329999999999998 110.848 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 19.6 t0 -132.49 101.69 5.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 73.030000000000001 110.9 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . 0.43 ' HA ' ' O ' ' H' ' 8' ' ' SER . 54.8 p -148.91 175.03 11.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.193 -0.458 . . . . 74.030000000000001 110.833 -179.693 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -100.85 -10.3 43.54 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.699 -0.762 . . . . 53.420000000000002 112.506 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.34 113.78 0.3 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 75.129999999999995 110.899 -179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -105.43 120.88 42.7 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 62.530000000000001 110.924 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 38.8 t -131.85 114.06 23.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.47 . . . . 70.109999999999999 111.132 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 67.3 m170 -114.24 126.73 55.37 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 60.530000000000001 110.848 179.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 5.0 m-70 -136.16 120.97 18.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.2 -0.454 . . . . 75.150000000000006 110.869 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.35 133.07 43.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.209 -0.451 . . . . 72.519999999999996 110.862 -179.912 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.03 118.46 27.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.155 -0.475 . . . . 75.430000000000007 110.905 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.436 HD12 ' HE1' ' I' ' 19' ' ' PHE . 3.6 mm? -120.35 110.74 16.9 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.191 -0.459 . . . . 54.109999999999999 110.896 179.947 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . 0.692 HG12 ' CG2' ' J' ' 18' ' ' VAL . 27.2 m -117.69 122.76 70.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.149 -0.478 . . . . 73.319999999999993 111.133 179.81 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . 0.436 ' HE1' HD12 ' I' ' 17' ' ' LEU . 3.1 m-30 -102.15 113.05 25.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.164 -0.471 . . . . 72.120000000000005 110.893 -179.972 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . 0.773 ' CE2' HG22 ' I' ' 31' ' ' ILE . 13.7 m-30 52.9 72.11 0.44 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.196 -0.456 . . . . 75.319999999999993 110.846 -179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -92.82 130.8 38.31 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.153 -0.476 . . . . 71.200000000000003 111.07 179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 62.32 87.58 0.1 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 55.219999999999999 110.885 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.663 ' CG1' HG23 ' J' ' 24' ' ' VAL . 11.9 p -127.11 135.35 63.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 61.130000000000003 111.083 -179.951 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.17 -44.8 97.22 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.743 -0.741 . . . . 70.209999999999994 112.466 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 9.5 m -166.52 132.78 2.41 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 74.420000000000002 110.876 -179.696 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 23.4 m-20 -100.83 99.84 10.4 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.119 -0.491 . . . . 75.409999999999997 110.897 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.57 160.36 19.36 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.179 -0.464 . . . . 65.530000000000001 110.94 179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 64.77 -133.24 37.62 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.743 -0.741 . . . . 73.129999999999995 112.476 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.731 ' O ' HD12 ' H' ' 31' ' ' ILE . . . -100.57 113.7 26.74 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.792 0.329 . . . . 51.200000000000003 111.111 179.95 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.773 HG22 ' CE2' ' I' ' 20' ' ' PHE . 0.1 OUTLIER -122.08 112.53 35.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.208 -0.451 . . . . 72.519999999999996 111.165 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 4.7 mt -126.2 113.33 33.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.189 -0.46 . . . . 72.219999999999999 111.134 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . 0.406 ' C ' HD13 ' I' ' 34' ' ' LEU . . . -44.13 -56.79 5.15 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.727 -0.749 . . . . 42.130000000000003 112.463 179.925 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.819 ' N ' HD13 ' I' ' 34' ' ' LEU . 0.0 OUTLIER -151.26 151.56 32.0 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.835 0.35 . . . . 74.140000000000001 110.908 -179.935 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 3.0 mtp -127.87 120.17 27.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 74.420000000000002 110.861 179.853 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.443 ' O ' HG13 ' I' ' 36' ' ' VAL . 3.2 p -138.58 111.52 6.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 64.239999999999995 111.135 179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.46 19.33 66.59 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.716 -0.754 . . . . 64.010000000000005 112.451 179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.26 -165.36 28.71 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 75.019999999999996 112.476 -179.922 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 0.758 HG23 HG13 ' H' ' 39' ' ' VAL . 6.2 p -168.65 142.51 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.37 . . . . 72.340000000000003 111.145 -179.986 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . 0.517 HG12 HG22 ' J' ' 40' ' ' VAL . 27.1 m . . . . . 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 70.329999999999998 111.159 179.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.867 0.365 . . . . 74.299999999999997 110.838 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -117.23 91.2 3.51 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 62.229999999999997 111.116 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -57.7 -37.88 74.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.208 -0.451 . . . . 73.129999999999995 110.93 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' J' J ' 4' ' ' PHE . . . . . 0.669 ' CZ ' ' HB2' ' E' ' 30' ' ' ALA . 5.1 m-85 -148.35 114.07 5.7 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.074 -0.512 . . . . 75.450000000000003 110.874 -179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.16 107.24 8.48 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.202 -0.454 . . . . 44.229999999999997 110.837 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 64.7 t60 -113.69 127.27 55.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.236 -0.438 . . . . 63.420000000000002 110.892 179.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 19.5 t0 -130.64 101.33 5.64 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.201 -0.454 . . . . 74.099999999999994 110.853 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 55.1 p -150.16 170.22 19.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 62.039999999999999 110.887 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.87 -8.98 50.44 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 62.039999999999999 112.492 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -170.94 111.56 0.37 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.875 0.369 . . . . 73.150000000000006 110.919 -179.783 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 2.8 tt0 -107.76 120.37 42.07 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.077 -0.51 . . . . 62.43 110.88 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 33.5 t -131.57 116.34 31.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 72.219999999999999 111.175 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 67.3 m170 -114.52 126.61 55.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 74.430000000000007 110.863 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 4.8 m-70 -133.6 122.32 23.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.215 -0.448 . . . . 72.209999999999994 110.848 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -133.06 133.62 43.26 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.455 . . . . 75.310000000000002 110.9 -179.888 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.47 116.12 21.99 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.225 -0.443 . . . . 63.219999999999999 110.874 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.423 HD13 ' CB ' ' I' ' 17' ' ' LEU . 3.8 mm? -120.37 107.87 13.45 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 62.530000000000001 110.934 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.692 ' CG2' HG12 ' I' ' 18' ' ' VAL . 30.8 m -114.54 124.19 70.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 71.010000000000005 111.125 179.861 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.407 ' CD1' ' N ' ' J' ' 19' ' ' PHE . 2.5 m-30 -102.57 112.67 25.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 75.5 110.866 -179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . 0.805 ' CE2' HG22 ' J' ' 31' ' ' ILE . 14.7 m-30 52.26 71.87 0.44 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.146 -0.479 . . . . 70.540000000000006 110.901 -179.911 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -93.74 131.5 39.02 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 63.32 111.123 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER 61.78 87.17 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.246 -0.434 . . . . 60.200000000000003 110.901 -179.97 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.663 HG23 ' CG1' ' I' ' 24' ' ' VAL . 12.9 p -127.83 135.2 63.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.201 -0.454 . . . . 43.420000000000002 111.139 -180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -62.11 -45.05 96.86 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.755 -0.736 . . . . 50.119999999999997 112.483 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 8.6 m -166.88 132.17 2.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.92 0.39 . . . . 73.099999999999994 110.816 -179.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 22.9 m-20 -100.61 99.81 10.44 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.495 . . . . 64.040000000000006 110.891 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.49 161.24 18.26 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.172 -0.467 . . . . 75.099999999999994 110.894 179.939 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 65.17 -133.61 36.5 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 71.439999999999998 112.5 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 0.73 ' O ' HD12 ' I' ' 31' ' ' ILE . . . -100.32 113.72 26.66 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.744 0.306 . . . . 54.0 111.06 -179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.805 HG22 ' CE2' ' J' ' 20' ' ' PHE . 0.2 OUTLIER -121.75 112.42 34.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.252 -0.431 . . . . 74.420000000000002 111.168 179.939 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 4.5 mt -122.94 111.1 28.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.193 -0.458 . . . . 70.239999999999995 111.13 179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . 0.549 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -43.83 -53.25 6.38 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.731 -0.747 . . . . 53.109999999999999 112.495 179.932 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.761 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -151.78 152.97 33.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.821 0.343 . . . . 61.509999999999998 110.89 -179.94 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 3.1 mtp -129.76 119.52 23.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.16 -0.473 . . . . 64.310000000000002 110.906 179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.448 ' O ' HG13 ' J' ' 36' ' ' VAL . 3.4 p -142.37 111.67 2.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.241 -0.436 . . . . 71.209999999999994 111.128 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 63.77 19.55 63.14 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.746 -0.74 . . . . 72.219999999999999 112.507 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -99.88 -165.55 29.17 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.728 -0.749 . . . . 74.010000000000005 112.467 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.734 HG23 HG13 ' I' ' 39' ' ' VAL . 6.5 p -168.29 141.74 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.889 0.376 . . . . 64.519999999999996 111.127 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.517 HG22 HG12 ' I' ' 40' ' ' VAL . 27.7 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.127 -0.488 . . . . 60.32 111.151 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 39.5 m-20 . . . . . 0 C--O 1.23 0.048 0 CA-C-O 120.84 0.353 . . . . 71.349999999999994 110.857 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.13 78.44 1.51 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.161 -0.472 . . . . 62.520000000000003 111.112 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -53.78 -34.14 58.13 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.201 -0.454 . . . . 61.109999999999999 110.878 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.727 ' CE1' ' HB2' ' F' ' 30' ' ' ALA . 2.1 m-85 -150.82 112.49 4.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 55.130000000000003 110.898 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 7.7 mmt180 -137.81 108.03 6.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.163 -0.471 . . . . 73.230000000000004 110.861 -179.874 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.27 130.01 55.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 63.340000000000003 110.897 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -135.75 100.69 4.54 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.242 -0.435 . . . . 63.450000000000003 110.861 -179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' B' ' 8' ' ' SER . 2.8 p -156.03 127.86 7.39 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 75.430000000000007 110.776 -179.724 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.07 -26.64 12.32 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.728 -0.749 . . . . 33.439999999999998 112.481 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -146.03 109.24 4.66 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.846 0.355 . . . . 73.319999999999993 110.968 -179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 24.9 tt0 -109.69 119.51 39.61 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.149 -0.478 . . . . 63.439999999999998 110.897 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.568 HG23 HG13 ' B' ' 12' ' ' VAL . 3.7 p -139.33 125.53 23.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 55.219999999999999 111.136 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.0 m-70 -125.15 112.86 16.95 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.166 -0.47 . . . . 63.009999999999998 110.868 179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m170 -116.35 126.91 54.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.214 -0.448 . . . . 64.349999999999994 110.829 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -124.75 132.79 53.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.223 -0.444 . . . . 74.120000000000005 110.947 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.481 ' O ' HD22 ' A' ' 17' ' ' LEU . 0.1 OUTLIER -134.45 117.68 16.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 55.530000000000001 110.895 179.958 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.613 ' HB2' HD13 ' B' ' 17' ' ' LEU . 3.5 mm? -121.7 114.97 21.88 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 72.349999999999994 110.897 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.569 ' CG1' ' HB2' ' A' ' 21' ' ' ALA . 90.5 t -109.49 112.6 41.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 74.439999999999998 111.135 179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.578 ' HE1' HD12 ' A' ' 17' ' ' LEU . 13.0 m-30 -102.69 106.16 16.75 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.131 -0.486 . . . . 73.219999999999999 110.863 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 59.04 91.46 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.152 -0.476 . . . . 70.140000000000001 110.898 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.569 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . . . -117.48 143.43 46.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.153 -0.476 . . . . 53.409999999999997 111.122 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 18.7 t0 53.06 71.83 0.46 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.446 . . . . 70.400000000000006 110.867 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.563 HG22 ' H ' ' A' ' 26' ' ' SER . 8.0 p -112.61 129.3 68.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.193 -0.458 . . . . 54.420000000000002 111.12 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.02 -36.39 42.98 Favored Glycine 0 N--CA 1.45 -0.384 0 C-N-CA 120.8 -0.714 . . . . 62.43 112.498 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . 0.563 ' H ' HG22 ' A' ' 24' ' ' VAL . 0.4 OUTLIER 179.86 140.14 0.13 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.927 0.394 . . . . 73.329999999999998 110.809 -179.758 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 30.7 m-20 -98.59 103.86 15.84 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.111 -0.495 . . . . 72.140000000000001 110.865 -179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.6 155.62 25.13 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.124 -0.489 . . . . 72.510000000000005 110.916 179.868 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.83 -136.81 50.45 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.774 -0.727 . . . . 44.530000000000001 112.449 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.747 ' HB2' ' CE2' ' F' ' 4' ' ' PHE . . . -96.84 111.57 23.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.734 0.302 . . . . 72.530000000000001 111.07 -179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.69 HG13 HG22 ' B' ' 31' ' ' ILE . 0.0 OUTLIER -122.58 117.64 52.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 61.32 111.138 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.411 ' HA ' ' O ' ' B' ' 32' ' ' ILE . 3.4 mt -132.92 118.86 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.157 -0.474 . . . . 73.219999999999999 111.118 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.05 -49.95 7.71 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.729 -0.748 . . . . 34.200000000000003 112.478 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.811 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -158.6 155.98 29.24 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 55.32 110.914 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 16.0 mtp -131.68 122.81 26.56 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.195 -0.457 . . . . 75.430000000000007 110.904 179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.573 HG21 HG11 ' F' ' 36' ' ' VAL . 81.1 t -134.26 114.87 19.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.268 -0.424 . . . . 63.310000000000002 111.11 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.51 16.59 55.4 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.708 -0.758 . . . . 74.349999999999994 112.497 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -107.61 -174.39 22.33 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.688 -0.768 . . . . 72.099999999999994 112.479 -179.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.908 HG13 HG23 ' B' ' 39' ' ' VAL . 13.2 p -155.93 149.39 11.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.852 0.358 . . . . 65.310000000000002 111.132 -179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.725 ' HA ' HG22 ' B' ' 40' ' ' VAL . 18.1 m . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.174 -0.466 . . . . 63.520000000000003 111.13 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.77 0.319 . . . . 63.539999999999999 110.875 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.3 79.29 1.7 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.244 -0.435 . . . . 75.319999999999993 111.087 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 17.2 mp0 -53.16 -31.13 41.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.465 . . . . 74.120000000000005 110.831 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.677 ' CE2' ' HB2' ' G' ' 30' ' ' ALA . 2.9 m-85 -153.8 112.87 3.72 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.184 -0.462 . . . . 72.420000000000002 110.914 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 6.6 mmt180 -135.7 108.73 7.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.135 -0.484 . . . . 72.420000000000002 110.906 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.41 131.1 55.35 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 71.25 110.851 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -136.22 101.69 4.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 74.319999999999993 110.836 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.411 ' O ' ' HA ' ' C' ' 8' ' ' SER . 2.8 p -156.55 127.2 6.7 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.157 -0.474 . . . . 63.130000000000003 110.835 -179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.93 -26.69 11.64 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.756 -0.735 . . . . 74.219999999999999 112.508 179.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.35 107.08 3.95 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.832 0.349 . . . . 73.409999999999997 110.935 -179.783 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -108.04 119.59 39.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 64.549999999999997 110.873 -179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.575 HG23 HG13 ' C' ' 12' ' ' VAL . 3.5 p -137.25 126.12 34.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 75.310000000000002 111.15 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -123.66 112.92 17.96 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.188 -0.46 . . . . 65.019999999999996 110.867 179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -116.06 126.25 53.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.21 -0.45 . . . . 72.340000000000003 110.812 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -124.26 132.62 53.59 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.21 -0.45 . . . . 72.200000000000003 110.924 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.507 ' O ' HD22 ' B' ' 17' ' ' LEU . 0.1 OUTLIER -130.67 117.88 20.12 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 72.439999999999998 110.891 179.972 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.658 ' HB2' HD13 ' C' ' 17' ' ' LEU . 3.9 mm? -122.05 111.86 17.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.168 -0.469 . . . . 73.140000000000001 110.88 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.534 ' CG1' ' HB2' ' B' ' 21' ' ' ALA . 93.1 t -108.42 111.42 35.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.145 -0.48 . . . . 75.450000000000003 111.144 179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.538 ' HE1' HD12 ' B' ' 17' ' ' LEU . 10.3 m-30 -102.88 104.61 14.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.217 -0.447 . . . . 73.420000000000002 110.903 -179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 4.5 m-30 58.81 91.8 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 75.519999999999996 110.865 -179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.534 ' HB2' ' CG1' ' B' ' 18' ' ' VAL . . . -117.93 143.89 45.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 74.230000000000004 111.083 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 18.6 t0 52.49 72.79 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.226 -0.443 . . . . 73.25 110.878 179.959 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.589 HG22 ' H ' ' B' ' 26' ' ' SER . 8.1 p -113.54 127.94 70.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.211 -0.45 . . . . 75.040000000000006 111.115 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.13 -34.35 46.92 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.795 -0.717 . . . . 60.020000000000003 112.472 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.589 ' H ' HG22 ' B' ' 24' ' ' VAL . 0.4 OUTLIER -179.59 140.51 0.15 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.91 0.386 . . . . 63.530000000000001 110.835 -179.742 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 32.1 m-20 -99.18 102.01 13.53 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 71.340000000000003 110.892 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.13 159.57 19.91 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 73.099999999999994 110.919 179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.34 -133.15 51.45 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.745 -0.741 . . . . 63.219999999999999 112.468 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.667 ' HB2' ' CE2' ' G' ' 4' ' ' PHE . . . -99.31 112.21 24.43 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.782 0.325 . . . . 74.140000000000001 111.087 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.777 HG13 HG22 ' C' ' 31' ' ' ILE . 0.0 OUTLIER -118.77 114.13 43.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 50.109999999999999 111.121 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.411 ' O ' ' HA ' ' A' ' 32' ' ' ILE . 3.4 mt -131.35 118.33 39.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.18 -0.464 . . . . 61.520000000000003 111.128 179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.42 -49.12 20.95 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.735 -0.745 . . . . 44.100000000000001 112.544 179.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.803 ' N ' HD13 ' B' ' 34' ' ' LEU . 0.0 OUTLIER -157.93 154.08 27.25 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.759 0.314 . . . . 75.25 110.979 -179.985 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 8.8 mtp -128.69 121.49 28.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.22 -0.445 . . . . 75.319999999999993 110.895 179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.647 HG21 HG11 ' G' ' 36' ' ' VAL . 90.5 t -136.3 114.0 14.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.29 -0.414 . . . . 74.439999999999998 111.14 179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.78 17.51 42.68 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.746 -0.74 . . . . 42.409999999999997 112.483 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.71 -174.8 23.05 Favored Glycine 0 N--CA 1.452 -0.257 0 C-N-CA 120.723 -0.751 . . . . 51.240000000000002 112.471 -179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.921 HG13 HG23 ' C' ' 39' ' ' VAL . 13.3 p -156.13 151.07 9.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-O 120.844 0.354 . . . . 70.310000000000002 111.147 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.725 HG22 ' HA ' ' A' ' 40' ' ' VAL . 14.5 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 61.409999999999997 111.136 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 38.8 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.803 0.335 . . . . 73.409999999999997 110.833 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.55 79.73 1.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 62.020000000000003 111.132 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 17.1 mp0 -52.93 -31.12 38.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.241 -0.436 . . . . 74.129999999999995 110.93 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . 0.61 ' CE2' ' HB2' ' H' ' 30' ' ' ALA . 3.1 m-85 -152.69 113.1 4.05 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.14 -0.482 . . . . 72.530000000000001 110.925 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -134.62 108.96 8.33 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 74.439999999999998 110.846 -179.901 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.01 130.84 55.73 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.13 -0.486 . . . . 72.209999999999994 110.866 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -135.64 102.15 5.01 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.443 . . . . 73.349999999999994 110.827 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . 0.411 ' HA ' ' O ' ' B' ' 8' ' ' SER . 2.8 p -156.23 127.18 6.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 72.299999999999997 110.864 -179.793 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -50.8 -27.16 12.27 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.733 -0.746 . . . . 65.519999999999996 112.499 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.82 107.12 3.89 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.864 0.364 . . . . 71.549999999999997 110.974 -179.893 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -107.58 119.93 40.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.123 -0.489 . . . . 72.430000000000007 110.909 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.596 HG23 HG13 ' D' ' 12' ' ' VAL . 3.7 p -136.39 126.71 40.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.124 -0.489 . . . . 74.340000000000003 111.128 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 22.7 m-70 -122.76 113.01 18.61 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.187 -0.46 . . . . 70.530000000000001 110.873 179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -115.48 125.76 53.47 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.152 -0.476 . . . . 75.140000000000001 110.824 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -125.48 132.52 52.65 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.23 -0.441 . . . . 74.420000000000002 110.938 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.515 ' O ' HD22 ' C' ' 17' ' ' LEU . 0.1 OUTLIER -129.02 119.06 23.59 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.242 -0.436 . . . . 45.329999999999998 110.915 179.912 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.658 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.2 mm? -123.27 110.05 14.72 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.21 -0.45 . . . . 72.230000000000004 110.957 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' C' ' 21' ' ' ALA . 93.9 t -107.98 111.18 34.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.214 -0.448 . . . . 54.399999999999999 111.081 179.879 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.543 ' HE1' HD12 ' C' ' 17' ' ' LEU . 8.5 m-30 -102.6 104.4 14.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 74.319999999999993 110.867 -179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 56.42 91.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.123 -0.489 . . . . 75.5 110.882 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.479 ' HB2' ' CG1' ' C' ' 18' ' ' VAL . . . -118.77 144.06 46.52 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 64.530000000000001 111.051 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 18.6 t0 52.82 72.56 0.41 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.218 -0.446 . . . . 64.439999999999998 110.852 179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.601 HG22 ' H ' ' C' ' 26' ' ' SER . 8.0 p -113.91 127.75 71.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.226 -0.443 . . . . 51.539999999999999 111.158 179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -52.63 -33.86 42.29 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.747 -0.739 . . . . 75.340000000000003 112.503 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.601 ' H ' HG22 ' C' ' 24' ' ' VAL . 0.4 OUTLIER -179.34 139.52 0.15 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.838 0.352 . . . . 70.230000000000004 110.884 -179.756 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 28.7 m-20 -99.17 100.65 11.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.149 -0.478 . . . . 55.240000000000002 110.848 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.34 159.74 19.9 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.153 -0.476 . . . . 73.400000000000006 110.883 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.26 -131.49 52.08 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.771 -0.728 . . . . 31.010000000000002 112.49 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.645 ' HB2' ' CE2' ' H' ' 4' ' ' PHE . . . -99.69 112.09 24.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.749 0.309 . . . . 63.310000000000002 111.078 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.815 HG13 HG22 ' D' ' 31' ' ' ILE . 0.0 OUTLIER -116.71 111.93 37.24 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.221 -0.445 . . . . 73.140000000000001 111.118 179.964 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.61 117.84 40.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.158 -0.474 . . . . 73.25 111.102 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.23 -49.04 31.97 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.676 -0.773 . . . . 71.239999999999995 112.51 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.814 ' N ' HD13 ' C' ' 34' ' ' LEU . 0.0 OUTLIER -156.81 152.93 27.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.8 0.333 . . . . 72.310000000000002 110.931 -179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 11.3 mtp -128.37 119.79 25.72 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.153 -0.476 . . . . 74.200000000000003 110.868 179.871 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.664 HG11 HG21 ' H' ' 36' ' ' VAL . 91.0 t -137.3 113.93 12.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.242 -0.435 . . . . 64.209999999999994 111.12 179.988 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 58.9 18.19 38.97 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 71.219999999999999 112.451 179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -105.73 -174.49 23.86 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.746 -0.74 . . . . 44.450000000000003 112.49 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.921 HG23 HG13 ' B' ' 39' ' ' VAL . 12.0 p -156.32 152.1 8.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-O 120.852 0.358 . . . . 65.450000000000003 111.118 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.69 HG22 ' HA ' ' B' ' 40' ' ' VAL . 14.0 m . . . . . 0 C--N 1.33 -0.281 0 CA-C-N 116.168 -0.469 . . . . 62.32 111.178 179.926 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 40.2 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.802 0.334 . . . . 75.0 110.853 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.99 79.78 1.67 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.206 -0.452 . . . . 74.109999999999999 111.121 179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . 0.4 ' HA ' ' HA2' ' I' ' 29' ' ' GLY . 17.5 mp0 -52.56 -31.72 37.29 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 60.439999999999998 110.913 -179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . 0.641 ' CE2' ' HB2' ' I' ' 30' ' ' ALA . 3.1 m-85 -152.35 112.88 4.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.16 -0.473 . . . . 74.299999999999997 110.833 -179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 7.8 mmt180 -133.11 108.57 8.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.125 -0.489 . . . . 71.239999999999995 110.913 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -112.82 129.93 56.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 65.019999999999996 110.889 -179.969 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -134.21 101.93 5.19 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.229 -0.441 . . . . 54.32 110.899 179.994 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' C' ' 8' ' ' SER . 2.8 p -156.27 127.24 6.91 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 54.350000000000001 110.871 -179.726 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.9 -26.76 19.28 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.71 -0.757 . . . . 74.409999999999997 112.467 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.96 106.86 3.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.812 0.339 . . . . 54.32 110.942 -179.804 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -108.23 120.65 42.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 74.430000000000007 110.872 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.623 HG23 HG13 ' E' ' 12' ' ' VAL . 4.2 p -136.42 127.08 41.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 74.099999999999994 111.142 179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 23.0 m-70 -122.03 113.08 19.06 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.213 -0.449 . . . . 75.409999999999997 110.853 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -115.23 125.59 53.53 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.469 . . . . 72.150000000000006 110.871 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -127.0 132.76 50.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 73.25 110.897 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.557 ' O ' HD22 ' D' ' 17' ' ' LEU . 0.1 OUTLIER -126.74 120.65 29.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.187 -0.461 . . . . 75.129999999999995 110.899 179.959 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.612 ' HB2' HD13 ' E' ' 17' ' ' LEU . 4.2 mm? -124.75 108.91 12.47 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.189 -0.459 . . . . 75.239999999999995 110.903 179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.48 ' CG1' ' HB2' ' D' ' 21' ' ' ALA . 92.6 t -108.03 111.5 36.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.202 -0.453 . . . . 71.200000000000003 111.125 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.529 ' HE1' HD12 ' D' ' 17' ' ' LEU . 7.9 m-30 -102.22 102.8 13.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.445 . . . . 75.340000000000003 110.867 -179.979 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 56.87 91.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.164 -0.471 . . . . 74.409999999999997 110.895 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . 0.48 ' HB2' ' CG1' ' D' ' 18' ' ' VAL . . . -118.89 144.28 46.49 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.47 . . . . 54.439999999999998 111.064 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 18.8 t0 52.9 72.77 0.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 71.549999999999997 110.854 179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.594 HG22 ' H ' ' D' ' 26' ' ' SER . 8.2 p -115.16 127.6 72.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.216 -0.447 . . . . 52.119999999999997 111.138 179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.5 -33.76 48.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.718 -0.753 . . . . 71.409999999999997 112.484 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . 0.594 ' H ' HG22 ' D' ' 24' ' ' VAL . 0.4 OUTLIER -179.23 139.65 0.15 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 120.893 0.378 . . . . 55.119999999999997 110.879 -179.753 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.457 ' CG ' HG21 ' D' ' 31' ' ' ILE . 17.2 m-20 -99.47 100.64 11.7 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 73.439999999999998 110.906 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.06 160.28 19.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 74.400000000000006 110.886 179.91 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 58.76 -131.27 51.97 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.795 -0.717 . . . . 53.340000000000003 112.455 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.647 ' HB2' ' CE2' ' I' ' 4' ' ' PHE . . . -99.03 111.26 23.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.777 0.322 . . . . 33.130000000000003 111.117 -179.993 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.815 HG22 HG13 ' C' ' 31' ' ' ILE . 0.0 OUTLIER -114.04 111.41 35.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 63.299999999999997 111.144 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.5 117.55 39.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 53.520000000000003 111.128 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . 0.471 ' C ' HD13 ' D' ' 34' ' ' LEU . . . -50.66 -49.73 39.33 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.699 -0.762 . . . . 74.329999999999998 112.5 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.811 ' N ' HD13 ' D' ' 34' ' ' LEU . 0.0 OUTLIER -154.62 151.86 29.31 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.761 0.315 . . . . 74.5 110.96 -179.949 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 11.9 mtp -129.02 118.65 22.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.252 -0.431 . . . . 73.099999999999994 110.884 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.643 HG11 HG21 ' I' ' 36' ' ' VAL . 84.4 t -138.1 112.73 9.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.216 -0.447 . . . . 55.43 111.084 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.75 17.69 43.14 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.728 -0.749 . . . . 41.340000000000003 112.478 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.26 -174.32 26.27 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.666 -0.778 . . . . 64.530000000000001 112.491 -179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.864 HG23 HG13 ' C' ' 39' ' ' VAL . 13.2 p -156.54 151.03 9.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-O 120.838 0.351 . . . . 60.229999999999997 111.167 179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.678 HG22 ' HA ' ' C' ' 40' ' ' VAL . 15.1 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.171 -0.468 . . . . 74.150000000000006 111.141 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.832 0.349 . . . . 73.129999999999995 110.844 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -103.98 79.91 1.69 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 74.049999999999997 111.055 179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . 0.421 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . 17.6 mp0 -52.6 -32.17 40.09 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 72.409999999999997 110.848 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . 0.589 ' CZ ' ' HB2' ' J' ' 30' ' ' ALA . 2.9 m-85 -151.65 114.3 4.63 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.138 -0.483 . . . . 65.25 110.841 -179.867 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 6.9 mmt180 -132.61 107.37 8.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 73.329999999999998 110.896 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.35 127.2 56.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 72.319999999999993 110.869 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -130.37 101.07 5.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.208 -0.451 . . . . 72.010000000000005 110.885 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -156.75 127.62 6.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 74.400000000000006 110.841 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.84 -25.04 43.55 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.724 -0.75 . . . . 72.540000000000006 112.494 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.34 103.77 3.59 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.8 0.333 . . . . 75.109999999999999 110.922 -179.82 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 27.4 tt0 -109.36 120.98 44.17 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.135 -0.484 . . . . 61.25 110.862 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . 0.623 HG13 HG23 ' D' ' 12' ' ' VAL . 5.5 p -136.28 128.75 45.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 74.430000000000007 111.137 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 22.4 m-70 -120.68 113.63 20.49 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.185 -0.461 . . . . 72.040000000000006 110.884 179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 7.7 m170 -114.15 126.91 55.61 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 73.109999999999999 110.875 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 1.1 mm-40 -130.06 133.14 46.51 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.218 -0.446 . . . . 53.200000000000003 110.922 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . 0.613 ' O ' HD22 ' E' ' 17' ' ' LEU . 0.1 OUTLIER -127.71 120.44 27.99 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.188 -0.46 . . . . 62.219999999999999 110.906 179.976 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.613 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.0 mm? -125.71 112.96 16.71 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.212 -0.449 . . . . 64.230000000000004 110.897 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 87.9 t -107.77 113.05 42.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.167 -0.47 . . . . 74.349999999999994 111.153 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.526 ' HE1' HD12 ' E' ' 17' ' ' LEU . 9.3 m-30 -102.37 98.82 8.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.142 -0.481 . . . . 74.0 110.857 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 3.6 m-30 53.79 90.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.122 -0.49 . . . . 73.219999999999999 110.831 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.6 144.86 45.84 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.128 -0.487 . . . . 64.030000000000001 111.11 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 19.0 t0 52.7 72.35 0.42 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.224 -0.444 . . . . 72.409999999999997 110.882 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.605 HG22 ' H ' ' E' ' 26' ' ' SER . 7.7 p -113.87 126.67 71.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 74.409999999999997 111.121 -179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.6 -33.59 34.0 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.691 -0.766 . . . . 74.519999999999996 112.514 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . 0.605 ' H ' HG22 ' E' ' 24' ' ' VAL . 0.4 OUTLIER -179.56 138.27 0.13 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.833 0.349 . . . . 74.25 110.907 -179.743 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.509 ' CG ' HG21 ' E' ' 31' ' ' ILE . 24.7 m-20 -99.14 99.7 10.73 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 63.549999999999997 110.925 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.28 160.27 19.24 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 73.310000000000002 110.873 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 59.45 -133.38 51.95 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.727 -0.749 . . . . 55.43 112.517 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.622 ' HB2' ' CZ ' ' J' ' 4' ' ' PHE . . . -95.49 112.35 24.08 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.743 0.306 . . . . 62.219999999999999 111.075 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.736 HG22 HG13 ' D' ' 31' ' ' ILE . 0.0 OUTLIER -112.8 111.94 38.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 72.120000000000005 111.151 179.966 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.39 114.6 29.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.176 -0.465 . . . . 63.039999999999999 111.155 179.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . 0.563 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -50.89 -47.55 47.46 Favored Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.734 -0.746 . . . . 51.140000000000001 112.475 179.909 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.769 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -153.99 152.02 30.05 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.805 0.336 . . . . 74.430000000000007 110.94 -179.914 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.407 ' H ' HD22 ' D' ' 34' ' ' LEU . 10.7 mtp -130.46 117.26 19.4 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 62.450000000000003 110.848 179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.565 HG11 HG21 ' J' ' 36' ' ' VAL . 95.6 t -141.44 111.31 3.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.251 -0.431 . . . . 74.030000000000001 111.151 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.47 17.96 42.08 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 75.200000000000003 112.508 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.02 -173.49 25.42 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.732 -0.747 . . . . 51.340000000000003 112.471 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.832 HG23 HG13 ' D' ' 39' ' ' VAL . 11.8 p -156.28 151.86 8.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.871 0.367 . . . . 72.409999999999997 111.136 -179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.617 HG22 ' HA ' ' D' ' 40' ' ' VAL . 17.8 m . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 71.25 111.125 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.857 0.361 . . . . 71.530000000000001 110.875 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.95 78.32 1.65 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.181 -0.463 . . . . 74.329999999999998 111.133 179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 16.2 mp0 -53.51 -33.77 55.64 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.24 -0.436 . . . . 63.140000000000001 110.913 -179.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . 0.747 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 2.2 m-85 -150.81 112.95 4.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.147 -0.479 . . . . 74.019999999999996 110.884 -179.948 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -138.21 108.31 6.4 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.47 . . . . 75.010000000000005 110.896 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.92 130.13 55.67 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 75.400000000000006 110.885 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 11.7 t0 -135.63 101.14 4.69 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 73.549999999999997 110.879 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' G' ' 8' ' ' SER . 2.8 p -155.92 127.5 7.28 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.115 -0.493 . . . . 43.039999999999999 110.876 -179.783 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.17 -26.61 13.08 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.763 -0.732 . . . . 71.329999999999998 112.476 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -145.24 109.19 4.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.805 0.336 . . . . 73.150000000000006 110.937 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -109.35 119.5 39.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.119 -0.491 . . . . 75.510000000000005 110.844 -179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.59 HG23 HG13 ' G' ' 12' ' ' VAL . 4.2 p -138.96 126.15 25.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.159 -0.473 . . . . 44.020000000000003 111.113 179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -124.82 113.13 17.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 65.340000000000003 110.904 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 7.8 m170 -116.98 125.84 52.0 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.232 -0.44 . . . . 75.349999999999994 110.843 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -124.8 132.79 53.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 71.049999999999997 110.882 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . 0.511 ' O ' HD22 ' F' ' 17' ' ' LEU . 0.1 OUTLIER -135.15 118.18 16.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 74.030000000000001 110.946 179.876 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.594 ' HB2' HD13 ' G' ' 17' ' ' LEU . 3.7 mm? -122.53 114.19 20.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.213 -0.448 . . . . 71.109999999999999 110.937 179.912 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.571 ' CG1' ' HB2' ' F' ' 21' ' ' ALA . 88.2 t -108.95 113.15 43.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.453 . . . . 42.310000000000002 111.12 179.845 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.536 ' HE1' HD12 ' F' ' 17' ' ' LEU . 12.9 m-30 -103.16 106.22 16.69 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 74.430000000000007 110.892 -179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 4.2 m-30 58.78 91.58 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.238 -0.437 . . . . 74.209999999999994 110.828 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . 0.571 ' HB2' ' CG1' ' F' ' 18' ' ' VAL . . . -117.44 144.0 45.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 42.340000000000003 111.11 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 18.7 t0 52.75 72.04 0.44 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 63.25 110.931 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.561 HG22 ' H ' ' F' ' 26' ' ' SER . 8.1 p -112.53 129.27 68.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 70.219999999999999 111.105 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.03 -35.78 49.78 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.71 -0.757 . . . . 63.130000000000003 112.493 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . 0.561 ' H ' HG22 ' F' ' 24' ' ' VAL . 0.4 OUTLIER -179.84 138.84 0.13 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.861 0.363 . . . . 61.009999999999998 110.846 -179.74 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 31.7 m-20 -97.9 102.26 13.97 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 71.319999999999993 110.867 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.02 156.84 22.37 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.129 -0.487 . . . . 64.239999999999995 110.871 179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.51 -138.24 48.41 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.742 . . . . 52.130000000000003 112.457 179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.727 ' HB2' ' CE1' ' A' ' 4' ' ' PHE . . . -95.21 111.5 23.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.736 0.303 . . . . 62.210000000000001 111.116 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.703 HG13 HG22 ' G' ' 31' ' ' ILE . 0.0 OUTLIER -122.38 117.34 51.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.222 -0.445 . . . . 71.150000000000006 111.097 -179.989 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -132.94 117.72 30.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.142 -0.481 . . . . 73.010000000000005 111.122 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . 0.406 ' HA3' ' HB3' ' F' ' 19' ' ' PHE . . . -42.92 -49.93 6.14 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.749 -0.738 . . . . 72.540000000000006 112.473 179.959 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.789 ' N ' HD13 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -159.58 156.11 27.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.806 0.336 . . . . 75.409999999999997 110.911 -179.907 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 13.6 mtp -131.17 122.46 26.64 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.221 -0.445 . . . . 64.099999999999994 110.852 179.86 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.573 HG11 HG21 ' A' ' 36' ' ' VAL . 70.8 t -134.17 114.46 19.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 75.239999999999995 111.165 179.97 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.03 16.64 53.33 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.732 -0.746 . . . . 72.219999999999999 112.477 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.89 -174.4 22.86 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.755 -0.736 . . . . 52.219999999999999 112.493 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.888 HG13 HG23 ' G' ' 39' ' ' VAL . 12.4 p -155.26 150.23 11.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.933 0.397 . . . . 61.409999999999997 111.119 -179.955 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.705 ' HA ' HG22 ' G' ' 40' ' ' VAL . 21.0 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 63.020000000000003 111.162 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 . . . . . 0 C--O 1.231 0.083 0 CA-C-O 120.798 0.332 . . . . 71.120000000000005 110.85 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.75 78.18 1.66 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.189 -0.459 . . . . 60.210000000000001 111.128 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -53.8 -34.19 58.37 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 75.400000000000006 110.889 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 4' ' ' PHE . . . . . 0.667 ' CE2' ' HB2' ' B' ' 30' ' ' ALA . 3.1 m-85 -154.38 113.48 3.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.185 -0.461 . . . . 75.239999999999995 110.877 -179.915 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 7.0 mmt180 -135.73 108.92 7.74 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.13 -0.486 . . . . 74.030000000000001 110.841 -179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -109.88 130.5 55.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.196 -0.456 . . . . 75.209999999999994 110.851 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 11.5 t0 -135.57 101.66 4.86 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.222 -0.445 . . . . 74.420000000000002 110.867 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . 0.425 ' O ' ' HA ' ' H' ' 8' ' ' SER . 2.8 p -156.68 126.89 6.48 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.189 -0.459 . . . . 74.010000000000005 110.88 -179.74 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.11 -26.87 13.05 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.75 -0.738 . . . . 33.009999999999998 112.482 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -146.93 106.96 3.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.828 0.347 . . . . 73.150000000000006 110.944 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 25.5 tt0 -107.63 119.75 40.3 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.155 -0.475 . . . . 64.019999999999996 110.843 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . 0.59 HG13 HG23 ' F' ' 12' ' ' VAL . 4.1 p -137.16 126.44 36.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 73.299999999999997 111.112 179.938 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 23.7 m-70 -123.99 113.09 17.97 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 75.329999999999998 110.857 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -116.33 125.74 52.54 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.143 -0.48 . . . . 64.430000000000007 110.858 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -123.76 132.93 53.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.216 -0.447 . . . . 75.219999999999999 110.895 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . 0.504 ' O ' HD22 ' G' ' 17' ' ' LEU . 0.1 OUTLIER -131.23 117.72 19.4 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.197 -0.456 . . . . 73.319999999999993 110.904 179.957 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.678 ' HB2' HD13 ' H' ' 17' ' ' LEU . 3.9 mm? -122.18 111.56 17.12 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 73.420000000000002 110.897 179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.547 ' CG1' ' HB2' ' G' ' 21' ' ' ALA . 92.2 t -108.46 111.1 34.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.201 -0.454 . . . . 74.150000000000006 111.166 179.838 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.532 ' HE1' HD12 ' G' ' 17' ' ' LEU . 10.3 m-30 -102.52 104.31 14.72 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.217 -0.447 . . . . 71.420000000000002 110.915 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 4.3 m-30 58.83 91.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.158 -0.473 . . . . 62.0 110.823 -179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . 0.547 ' HB2' ' CG1' ' G' ' 18' ' ' VAL . . . -117.41 144.37 45.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.133 -0.485 . . . . 74.519999999999996 111.1 179.885 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 18.6 t0 52.38 72.78 0.38 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.540000000000006 110.909 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.583 HG22 ' H ' ' G' ' 26' ' ' SER . 8.0 p -113.06 127.65 70.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 54.329999999999998 111.161 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.79 -34.22 50.61 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.688 -0.768 . . . . 64.510000000000005 112.452 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . 0.583 ' H ' HG22 ' G' ' 24' ' ' VAL . 0.4 OUTLIER -178.56 139.29 0.18 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.888 0.375 . . . . 71.299999999999997 110.882 -179.74 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 26.6 m-20 -99.51 100.28 11.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.148 -0.478 . . . . 73.219999999999999 110.867 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.78 160.45 18.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.466 . . . . 73.340000000000003 110.864 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 56.67 -134.05 51.74 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 61.340000000000003 112.508 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.677 ' HB2' ' CE2' ' B' ' 4' ' ' PHE . . . -98.46 112.21 24.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.766 0.317 . . . . 72.310000000000002 111.133 179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.781 HG13 HG22 ' H' ' 31' ' ' ILE . 0.0 OUTLIER -118.87 113.76 42.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.222 -0.445 . . . . 74.310000000000002 111.137 179.971 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.91 118.03 40.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 73.109999999999999 111.155 179.821 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -47.48 -49.08 21.36 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.711 -0.757 . . . . 74.439999999999998 112.532 179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.809 ' N ' HD13 ' G' ' 34' ' ' LEU . 0.0 OUTLIER -158.24 153.99 26.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.824 0.345 . . . . 73.319999999999993 110.89 -179.925 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 8.7 mtp -128.31 120.98 28.16 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 74.400000000000006 110.867 179.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.647 HG11 HG21 ' B' ' 36' ' ' VAL . 96.4 t -136.18 113.6 14.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.26 -0.427 . . . . 73.140000000000001 111.137 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.89 18.01 45.32 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 75.519999999999996 112.484 179.947 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -106.26 -174.67 23.42 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.731 -0.747 . . . . 44.149999999999999 112.533 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.916 HG13 HG23 ' H' ' 39' ' ' VAL . 14.5 p -156.93 151.23 8.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.809 0.338 . . . . 61.229999999999997 111.152 -179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.705 HG22 ' HA ' ' F' ' 40' ' ' VAL . 16.4 m . . . . . 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 72.299999999999997 111.099 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 39.0 m-20 . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.801 0.334 . . . . 43.25 110.902 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.35 79.04 1.8 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.206 -0.452 . . . . 73.319999999999993 111.064 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -52.46 -33.73 45.76 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.261 -0.427 . . . . 63.149999999999999 110.912 -179.931 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 4' ' ' PHE . . . . . 0.645 ' CE2' ' HB2' ' C' ' 30' ' ' ALA . 3.2 m-85 -153.4 113.92 4.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 73.319999999999993 110.908 -179.913 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -134.8 108.92 8.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.164 -0.471 . . . . 64.209999999999994 110.853 -179.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -110.83 130.17 55.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.208 -0.451 . . . . 55.520000000000003 110.93 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 11.8 t0 -134.96 101.87 5.04 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.249 -0.432 . . . . 75.439999999999998 110.84 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . 0.425 ' HA ' ' O ' ' G' ' 8' ' ' SER . 2.8 p -156.42 127.19 6.79 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.203 -0.453 . . . . 72.409999999999997 110.845 -179.806 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.2 -26.99 13.96 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.764 -0.731 . . . . 64.030000000000001 112.481 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.8 106.62 3.82 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.882 0.372 . . . . 63.43 110.888 -179.779 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 26.5 tt0 -106.99 119.85 40.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.09 -0.505 . . . . 65.310000000000002 110.868 179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.588 HG23 HG13 ' I' ' 12' ' ' VAL . 4.1 p -136.84 126.59 38.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.148 -0.478 . . . . 72.430000000000007 111.172 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -123.79 113.22 18.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 72.010000000000005 110.895 179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -115.81 125.36 52.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.225 -0.443 . . . . 72.129999999999995 110.809 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -124.31 132.68 53.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 63.350000000000001 110.851 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . 0.513 ' O ' HD22 ' H' ' 17' ' ' LEU . 0.1 OUTLIER -128.8 118.86 23.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 70.25 110.904 179.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.678 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.2 mm? -123.13 109.92 14.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 74.019999999999996 110.897 179.899 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.496 ' CG1' ' HB2' ' H' ' 21' ' ' ALA . 92.0 t -107.9 110.94 33.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.149 -0.478 . . . . 71.120000000000005 111.152 179.843 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.527 ' HE1' HD12 ' H' ' 17' ' ' LEU . 8.7 m-30 -102.3 104.01 14.51 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 71.25 110.882 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 3.9 m-30 57.23 91.64 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.154 -0.475 . . . . 60.049999999999997 110.828 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . 0.496 ' HB2' ' CG1' ' H' ' 18' ' ' VAL . . . -118.36 144.15 46.11 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 54.409999999999997 111.091 179.917 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 18.7 t0 52.64 72.78 0.39 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.204 -0.453 . . . . 74.430000000000007 110.853 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.595 HG22 ' H ' ' H' ' 26' ' ' SER . 7.7 p -113.43 127.45 70.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.194 -0.457 . . . . 75.510000000000005 111.117 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.76 -33.74 49.68 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 63.229999999999997 112.457 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . 0.595 ' H ' HG22 ' H' ' 24' ' ' VAL . 0.4 OUTLIER -178.35 138.9 0.19 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.862 0.363 . . . . 62.439999999999998 110.9 -179.731 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 24.8 m-20 -99.67 99.6 10.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 74.129999999999995 110.86 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.93 160.96 18.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.166 -0.47 . . . . 74.239999999999995 110.91 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 57.8 -132.79 52.73 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.728 -0.748 . . . . 74.219999999999999 112.52 179.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . 0.61 ' HB2' ' CE2' ' C' ' 4' ' ' PHE . . . -98.88 111.73 24.04 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.743 0.306 . . . . 73.230000000000004 111.093 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.818 HG13 HG22 ' I' ' 31' ' ' ILE . 0.0 OUTLIER -116.02 111.97 37.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.228 -0.442 . . . . 72.349999999999994 111.124 -179.982 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.46 117.27 38.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.451 . . . . 75.5 111.128 179.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . 0.41 ' C ' HD13 ' H' ' 34' ' ' LEU . . . -48.99 -49.27 29.88 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.772 -0.728 . . . . 65.540000000000006 112.449 179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.815 ' N ' HD13 ' H' ' 34' ' ' LEU . 0.0 OUTLIER -156.62 152.76 27.58 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.777 0.322 . . . . 65.420000000000002 110.936 -179.953 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 10.5 mtp -128.03 119.3 25.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.229 -0.441 . . . . 62.539999999999999 110.88 179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.664 HG21 HG11 ' C' ' 36' ' ' VAL . 93.6 t -137.18 113.69 12.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 55.009999999999998 111.149 179.935 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.45 17.69 40.96 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.73 -0.747 . . . . 53.549999999999997 112.517 -179.998 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.81 -174.71 24.69 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.73 -0.748 . . . . 61.140000000000001 112.45 -179.855 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.916 HG23 HG13 ' G' ' 39' ' ' VAL . 12.4 p -157.08 152.3 7.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.863 0.363 . . . . 53.149999999999999 111.114 -179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . 0.697 HG22 ' HA ' ' G' ' 40' ' ' VAL . 14.4 m . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.193 -0.458 . . . . 74.120000000000005 111.15 179.898 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 40.0 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.881 0.372 . . . . 74.510000000000005 110.903 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -104.02 79.08 1.59 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.194 -0.457 . . . . 71.450000000000003 111.101 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 17.6 mp0 -52.97 -33.21 50.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 73.239999999999995 110.887 -179.934 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 4' ' ' PHE . . . . . 0.647 ' CE2' ' HB2' ' D' ' 30' ' ' ALA . 3.1 m-85 -151.88 113.92 4.47 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.164 -0.471 . . . . 75.239999999999995 110.854 -179.954 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 7.9 mmt180 -133.75 108.52 8.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 73.030000000000001 110.836 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -111.69 130.31 55.82 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 65.409999999999997 110.865 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -134.53 101.74 5.07 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.199 -0.455 . . . . 71.120000000000005 110.847 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . 0.418 ' HA ' ' O ' ' H' ' 8' ' ' SER . 2.8 p -156.5 126.98 6.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 74.310000000000002 110.883 -179.807 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -51.6 -26.93 17.16 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 63.020000000000003 112.5 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.73 106.76 3.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.814 0.34 . . . . 74.040000000000006 110.979 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 26.0 tt0 -107.71 120.09 41.25 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.129 -0.487 . . . . 75.129999999999995 110.876 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . 0.608 HG23 HG13 ' J' ' 12' ' ' VAL . 4.1 p -136.69 126.42 38.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.464 . . . . 72.010000000000005 111.139 179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 25.2 m-70 -122.95 113.38 19.01 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.463 . . . . 62.539999999999999 110.847 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 m170 -115.25 125.76 53.71 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 74.140000000000001 110.849 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -125.84 132.76 52.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 62.200000000000003 110.896 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . 0.573 ' O ' HD22 ' I' ' 17' ' ' LEU . 0.1 OUTLIER -126.99 120.37 28.92 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.197 -0.456 . . . . 73.120000000000005 110.911 179.962 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.628 HD13 ' HB2' ' H' ' 17' ' ' LEU . 4.2 mm? -124.9 109.44 13.03 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 63.149999999999999 110.892 179.951 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . 0.492 ' CG1' ' HB2' ' I' ' 21' ' ' ALA . 91.2 t -107.95 111.82 37.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.192 -0.458 . . . . 72.439999999999998 111.13 179.804 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . 0.513 ' HE1' HD12 ' I' ' 17' ' ' LEU . 8.1 m-30 -102.17 102.9 13.4 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 74.310000000000002 110.855 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 3.8 m-30 56.45 91.22 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 74.5 110.857 -179.963 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . 0.492 ' HB2' ' CG1' ' I' ' 18' ' ' VAL . . . -118.42 144.35 46.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.165 -0.47 . . . . 70.430000000000007 111.077 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 18.7 t0 53.0 72.9 0.39 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.225 -0.443 . . . . 72.319999999999993 110.868 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.595 HG22 ' H ' ' I' ' 26' ' ' SER . 7.6 p -114.5 126.97 72.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.19 -0.459 . . . . 64.049999999999997 111.158 179.994 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -53.88 -33.53 50.08 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.776 -0.726 . . . . 35.439999999999998 112.497 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . 0.595 ' H ' HG22 ' I' ' 24' ' ' VAL . 0.4 OUTLIER -178.43 138.16 0.17 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.869 0.366 . . . . 55.340000000000003 110.864 -179.73 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . 0.427 ' CG ' HG21 ' I' ' 31' ' ' ILE . 16.5 m-20 -99.46 99.75 10.7 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 74.400000000000006 110.906 -179.975 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -113.8 160.9 18.2 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.122 -0.49 . . . . 71.340000000000003 110.886 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . 0.4 ' HA2' ' HA ' ' D' ' 3' ' ' GLU . . . 58.94 -132.33 52.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 73.129999999999995 112.499 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.641 ' HB2' ' CE2' ' D' ' 4' ' ' PHE . . . -98.61 110.98 23.49 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.739 0.304 . . . . 71.340000000000003 111.132 179.963 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.818 HG22 HG13 ' H' ' 31' ' ' ILE . 0.0 OUTLIER -113.44 111.58 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.238 -0.437 . . . . 74.340000000000003 111.102 179.987 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -130.27 116.74 37.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.465 . . . . 74.420000000000002 111.162 179.808 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . 0.478 ' C ' HD13 ' I' ' 34' ' ' LEU . . . -50.03 -49.98 34.61 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.737 -0.744 . . . . 61.299999999999997 112.501 179.902 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.785 ' N ' HD13 ' I' ' 34' ' ' LEU . 0.0 OUTLIER -154.73 151.84 29.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.843 0.354 . . . . 74.209999999999994 110.918 -179.92 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 12.0 mtp -128.71 118.36 22.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 73.030000000000001 110.901 179.839 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.643 HG21 HG11 ' D' ' 36' ' ' VAL . 83.9 t -137.81 112.91 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.3 -0.409 . . . . 73.439999999999998 111.167 179.93 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.46 17.73 41.21 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 61.439999999999998 112.513 -179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.83 -174.29 26.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.794 -0.717 . . . . 22.219999999999999 112.486 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 0.875 HG23 HG13 ' H' ' 39' ' ' VAL . 12.7 p -157.2 151.97 7.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.859 0.362 . . . . 74.019999999999996 111.152 -179.971 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . 0.673 HG22 ' HA ' ' H' ' 40' ' ' VAL . 14.9 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.198 -0.456 . . . . 70.219999999999999 111.139 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 38.9 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.826 0.346 . . . . 64.209999999999994 110.905 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -102.55 79.0 1.77 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.224 -0.444 . . . . 61.119999999999997 111.123 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 17.4 mp0 -52.6 -33.35 45.93 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 71.439999999999998 110.916 -179.912 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' J' J ' 4' ' ' PHE . . . . . 0.622 ' CZ ' ' HB2' ' E' ' 30' ' ' ALA . 2.8 m-85 -151.3 114.69 4.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.134 -0.484 . . . . 53.240000000000002 110.888 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 7.5 mmt180 -133.44 107.99 8.39 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.121 -0.49 . . . . 75.430000000000007 110.824 -179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -113.21 127.25 56.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 72.239999999999995 110.896 179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -130.31 101.33 5.72 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.248 -0.433 . . . . 73.530000000000001 110.921 179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -156.93 127.6 6.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 72.230000000000004 110.878 -179.736 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.33 -25.96 42.49 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 64.409999999999997 112.476 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -147.35 104.37 3.64 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.856 0.36 . . . . 64.129999999999995 110.916 -179.758 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 27.0 tt0 -108.93 121.23 44.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 74.209999999999994 110.905 -179.996 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.608 HG13 HG23 ' I' ' 12' ' ' VAL . 5.0 p -137.02 127.12 39.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.168 -0.469 . . . . 63.310000000000002 111.133 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 24.9 m-70 -121.16 113.57 20.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.193 -0.458 . . . . 52.119999999999997 110.838 179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -114.24 127.12 55.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 73.430000000000007 110.911 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -128.3 133.09 48.67 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.278 -0.419 . . . . 71.430000000000007 110.942 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . 0.615 ' O ' HD22 ' J' ' 17' ' ' LEU . 0.1 OUTLIER -127.11 120.27 28.51 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.222 -0.444 . . . . 75.530000000000001 110.889 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.615 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.1 mm? -125.78 112.26 15.84 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.22 -0.445 . . . . 71.129999999999995 110.879 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 91.9 t -107.55 113.17 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.18 -0.464 . . . . 65.340000000000003 111.11 179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.533 ' HE1' HD12 ' J' ' 17' ' ' LEU . 9.1 m-30 -102.28 99.29 9.37 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.122 -0.49 . . . . 75.510000000000005 110.834 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 3.5 m-30 54.13 90.27 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 73.099999999999994 110.884 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -118.36 145.27 45.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 71.310000000000002 111.068 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 18.9 t0 52.25 72.49 0.39 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.168 -0.469 . . . . 73.540000000000006 110.901 179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.596 HG22 ' H ' ' J' ' 26' ' ' SER . 7.8 p -114.13 126.26 71.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.149 -0.478 . . . . 45.109999999999999 111.145 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -51.39 -33.66 32.55 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.739 -0.743 . . . . 74.140000000000001 112.447 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . 0.596 ' H ' HG22 ' J' ' 24' ' ' VAL . 0.4 OUTLIER -179.47 137.47 0.13 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.949 0.404 . . . . 64.219999999999999 110.812 -179.752 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . 0.481 ' CG ' HG21 ' J' ' 31' ' ' ILE . 26.6 m-20 -98.95 99.09 10.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.115 -0.493 . . . . 71.200000000000003 110.83 -179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.08 160.39 18.96 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 73.120000000000005 110.895 179.876 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . 0.421 ' HA2' ' HA ' ' E' ' 3' ' ' GLU . . . 60.14 -134.84 50.51 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.73 -0.748 . . . . 41.240000000000002 112.438 179.903 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 0.589 ' HB2' ' CZ ' ' E' ' 4' ' ' PHE . . . -94.46 111.65 23.4 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.786 0.327 . . . . 71.329999999999998 111.082 -179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.758 HG22 HG13 ' I' ' 31' ' ' ILE . 0.0 OUTLIER -112.36 112.76 41.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.18 -0.464 . . . . 71.230000000000004 111.098 -179.995 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 3.3 mt -130.52 114.25 27.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 73.5 111.145 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . 0.566 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -50.64 -47.66 45.14 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.758 -0.734 . . . . 71.200000000000003 112.494 179.904 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.775 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -154.35 152.05 29.77 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.847 0.356 . . . . 74.519999999999996 110.892 -179.905 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 10.4 mtp -130.27 117.05 19.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 75.450000000000003 110.907 179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.565 HG21 HG11 ' E' ' 36' ' ' VAL . 91.7 t -141.28 111.7 3.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.302 -0.408 . . . . 72.540000000000006 111.139 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 59.29 18.18 41.68 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.762 -0.733 . . . . 64.230000000000004 112.514 -179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -103.44 -173.77 26.03 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.69 -0.766 . . . . 62.409999999999997 112.503 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.822 HG23 HG13 ' I' ' 39' ' ' VAL . 12.3 p -156.6 151.82 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-O 120.846 0.355 . . . . 61.219999999999999 111.188 -179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.645 HG22 ' HA ' ' I' ' 40' ' ' VAL . 17.5 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.187 -0.461 . . . . 72.230000000000004 111.084 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.788 0.328 . . . . 73.129999999999995 110.893 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.78 89.06 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 72.329999999999998 111.081 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -52.01 -31.21 28.67 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 44.240000000000002 110.834 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.736 ' CE2' ' HB2' ' F' ' 30' ' ' ALA . 1.6 m-85 -157.64 113.87 2.87 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 71.109999999999999 110.86 -179.883 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -133.54 108.72 8.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.154 -0.475 . . . . 72.430000000000007 110.834 -179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 33.2 t60 -110.64 125.65 53.66 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.222 -0.445 . . . . 62.219999999999999 110.844 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 9.2 t0 -132.12 101.69 5.5 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.17 -0.468 . . . . 71.319999999999993 110.833 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.407 ' O ' ' HA ' ' B' ' 8' ' ' SER . 21.9 m -148.15 176.56 10.12 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.15 -0.477 . . . . 70.230000000000004 110.85 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.77 -8.97 38.75 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.821 -0.704 . . . . 61.030000000000001 112.497 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -172.36 110.76 0.25 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.838 0.352 . . . . 73.400000000000006 110.903 -179.783 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 2.2 tt0 -101.29 122.43 43.68 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.116 -0.493 . . . . 72.319999999999993 110.874 -179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . 0.56 HG12 ' CD2' ' A' ' 14' ' ' HIS . 20.7 t -138.79 113.8 8.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 52.240000000000002 111.159 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 57.4 m170 -108.72 133.85 52.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.188 -0.46 . . . . 72.349999999999994 110.836 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.56 ' CD2' HG12 ' A' ' 12' ' ' VAL . 18.0 m-70 -137.79 112.61 8.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 62.200000000000003 110.878 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.95 133.95 49.26 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.185 -0.461 . . . . 63.130000000000003 110.901 -179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -127.97 117.41 21.68 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.185 -0.461 . . . . 73.150000000000006 110.888 -179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.498 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.0 mm? -118.21 111.08 18.34 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.199 -0.455 . . . . 75.140000000000001 110.944 179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.732 HG12 ' CG2' ' B' ' 18' ' ' VAL . 35.8 m -115.89 120.48 64.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 72.340000000000003 111.152 179.837 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.41 ' HD2' HD12 ' B' ' 34' ' ' LEU . 11.0 m-85 -111.72 100.97 9.37 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 51.210000000000001 110.918 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . . . . . . . . . 6.6 m-85 62.3 65.95 0.83 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.13 -0.486 . . . . 72.409999999999997 110.924 -179.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.08 133.1 42.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.161 -0.472 . . . . 73.519999999999996 111.106 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 61.21 77.91 0.31 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.232 -0.44 . . . . 75.109999999999999 110.894 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.418 HG11 ' ND2' ' A' ' 27' ' ' ASN . 40.8 t -112.25 147.87 15.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.207 -0.451 . . . . 75.230000000000004 111.157 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -76.93 -47.31 9.59 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.789 -0.72 . . . . 71.319999999999993 112.477 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -161.43 121.55 2.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.882 0.373 . . . . 64.329999999999998 110.866 -179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.418 ' ND2' HG11 ' A' ' 24' ' ' VAL . 18.7 m120 -96.94 100.15 11.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.091 -0.504 . . . . 75.140000000000001 110.853 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.46 139.76 49.27 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 72.530000000000001 110.897 179.874 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.78 -140.75 22.01 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 61.310000000000002 112.491 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.724 ' HB2' ' CE2' ' F' ' 4' ' ' PHE . . . -102.2 113.85 27.49 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.817 0.341 . . . . 71.450000000000003 111.053 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.535 HD13 ' C ' ' A' ' 30' ' ' ALA . 0.0 OUTLIER -128.23 122.66 58.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 54.439999999999998 111.131 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -136.05 115.03 15.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 51.140000000000001 111.129 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.76 -45.67 8.94 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.756 -0.735 . . . . 64.209999999999994 112.525 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.816 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -168.54 146.61 4.11 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.816 0.341 . . . . 73.439999999999998 110.906 179.986 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 3.3 ttp -129.78 127.2 39.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.182 -0.463 . . . . 74.120000000000005 110.904 179.798 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.797 HG11 HG21 ' F' ' 36' ' ' VAL . 62.6 t -132.42 114.02 22.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.189 -0.459 . . . . 63.340000000000003 111.154 179.933 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.59 6.07 83.98 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.764 -0.731 . . . . 52.509999999999998 112.483 179.997 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.35 -170.17 43.53 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.734 -0.746 . . . . 64.340000000000003 112.499 -179.914 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.919 HG13 HG23 ' B' ' 39' ' ' VAL . 7.1 p -168.71 146.16 0.97 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.849 0.356 . . . . 74.340000000000003 111.175 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.43 HG12 HG22 ' B' ' 40' ' ' VAL . 34.0 m . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 75.530000000000001 111.082 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 . . . . . 0 C--O 1.23 0.057 0 CA-C-O 120.78 0.324 . . . . 73.519999999999996 110.875 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.82 88.91 0.15 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 52.350000000000001 111.111 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -52.91 -30.27 33.39 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.264 -0.426 . . . . 73.230000000000004 110.886 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.701 ' CE2' ' HB2' ' G' ' 30' ' ' ALA . 2.0 m-85 -158.31 113.64 2.65 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.162 -0.472 . . . . 71.129999999999995 110.887 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 4.6 tpt85 -130.86 108.74 10.06 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.123 -0.49 . . . . 75.540000000000006 110.842 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 36.0 t60 -109.89 125.64 53.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 73.129999999999995 110.879 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -132.48 101.21 5.24 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.207 -0.451 . . . . 75.310000000000002 110.915 -180.0 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.423 ' O ' ' HA ' ' C' ' 8' ' ' SER . 21.9 m -147.68 176.06 10.39 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.204 -0.453 . . . . 71.099999999999994 110.842 -179.735 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.72 -8.89 39.05 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.737 -0.744 . . . . 63.109999999999999 112.468 -179.953 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -172.36 109.81 0.23 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.827 0.346 . . . . 73.510000000000005 110.976 -179.796 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -99.95 121.58 41.56 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.484 . . . . 74.0 110.865 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.566 HG12 ' CD2' ' B' ' 14' ' ' HIS . 21.3 t -137.68 113.99 11.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.104 -0.498 . . . . 73.140000000000001 111.168 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -108.94 133.54 52.8 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 63.409999999999997 110.862 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . 0.566 ' CD2' HG12 ' B' ' 12' ' ' VAL . 18.3 m-70 -136.38 113.33 10.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.242 -0.435 . . . . 62.420000000000002 110.892 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.7 133.31 49.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.248 -0.433 . . . . 74.329999999999998 110.946 -179.937 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.449 ' O ' HD22 ' B' ' 17' ' ' LEU . 7.3 tptm -126.51 117.81 23.61 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 62.020000000000003 110.908 179.961 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.5 ' HB2' HD13 ' C' ' 17' ' ' LEU . 3.6 mm? -120.7 111.44 17.61 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.22 -0.445 . . . . 74.430000000000007 110.936 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.732 ' CG2' HG12 ' A' ' 18' ' ' VAL . 27.5 m -117.73 119.8 62.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.447 . . . . 65.230000000000004 111.081 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.443 ' CE1' HD12 ' B' ' 17' ' ' LEU . 5.7 m-85 -110.35 101.09 9.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.181 -0.463 . . . . 60.299999999999997 110.873 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 7.5 m-85 61.71 66.41 0.84 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.114 -0.494 . . . . 62.0 110.892 -179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.63 133.21 41.42 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.14 -0.482 . . . . 73.030000000000001 111.12 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 60.09 78.51 0.27 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.23 -0.441 . . . . 55.520000000000003 110.871 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . . . . . . . . . 42.5 t -112.43 148.22 15.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 73.019999999999996 111.109 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.17 -46.78 8.87 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.758 -0.734 . . . . 74.049999999999997 112.477 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -160.73 121.99 2.98 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.858 0.361 . . . . 73.519999999999996 110.872 -179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 16.2 m120 -97.0 99.86 11.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.48 . . . . 73.25 110.881 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.13 143.38 45.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.15 -0.477 . . . . 73.219999999999999 110.896 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.59 -138.82 21.52 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.712 -0.756 . . . . 53.020000000000003 112.479 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.689 ' HB2' ' CE2' ' G' ' 4' ' ' PHE . . . -102.97 113.28 26.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.825 0.345 . . . . 54.240000000000002 111.075 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.512 HD13 ' C ' ' B' ' 30' ' ' ALA . 0.0 OUTLIER -125.68 120.18 56.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.207 -0.451 . . . . 60.43 111.123 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.1 mt -134.07 112.31 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.22 -0.445 . . . . 62.030000000000001 111.151 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.75 -44.66 8.64 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.759 -0.734 . . . . 21.23 112.473 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.87 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -165.37 149.08 8.3 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.79 0.329 . . . . 74.129999999999995 110.949 -179.955 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . . . . . . . . . 2.5 ttp -130.77 126.09 35.48 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.226 -0.443 . . . . 72.340000000000003 110.861 179.897 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.859 HG11 HG21 ' G' ' 36' ' ' VAL . 72.5 t -136.12 113.94 14.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.218 -0.446 . . . . 74.349999999999994 111.174 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.91 7.45 66.19 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.7 -0.762 . . . . 74.239999999999995 112.499 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.01 -170.93 45.52 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.727 -0.749 . . . . 53.329999999999998 112.495 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.934 HG13 HG23 ' C' ' 39' ' ' VAL . 7.2 p -168.82 145.85 0.94 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.902 0.382 . . . . 62.509999999999998 111.125 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.482 HG12 HG22 ' C' ' 40' ' ' VAL . 33.9 m . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.142 -0.481 . . . . 74.420000000000002 111.095 179.941 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.787 0.327 . . . . 75.120000000000005 110.854 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.73 89.13 0.15 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 73.409999999999997 111.085 179.952 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.411 ' HA ' ' HA2' ' H' ' 29' ' ' GLY . 4.9 mp0 -52.61 -31.14 35.0 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.236 -0.438 . . . . 72.230000000000004 110.881 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . 0.659 ' CE2' ' HB2' ' H' ' 30' ' ' ALA . 2.3 m-85 -157.84 113.82 2.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.145 -0.479 . . . . 75.430000000000007 110.892 -179.864 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -129.75 108.98 10.59 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 74.120000000000005 110.87 -179.908 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 35.9 t60 -110.42 124.52 51.9 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.22 -0.445 . . . . 75.319999999999993 110.873 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -131.36 101.48 5.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 71.329999999999998 110.865 179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . 0.423 ' HA ' ' O ' ' B' ' 8' ' ' SER . 22.0 m -147.93 175.71 10.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.209 -0.451 . . . . 75.5 110.863 -179.744 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.01 -8.62 38.82 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.773 -0.727 . . . . 64.400000000000006 112.477 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -172.18 110.22 0.25 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.817 0.341 . . . . 72.409999999999997 110.934 -179.808 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -100.08 121.9 42.12 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 73.400000000000006 110.917 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.568 HG12 ' CD2' ' C' ' 14' ' ' HIS . 21.4 t -138.1 114.13 10.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.191 -0.458 . . . . 70.549999999999997 111.144 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 56.9 m170 -109.17 132.98 53.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.23 -0.441 . . . . 75.409999999999997 110.879 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . 0.568 ' CD2' HG12 ' C' ' 12' ' ' VAL . 18.2 m-70 -135.38 113.78 11.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.229 -0.441 . . . . 74.510000000000005 110.83 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.08 133.33 49.04 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.455 . . . . 64.450000000000003 110.902 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.496 ' O ' HD22 ' C' ' 17' ' ' LEU . 7.4 tptm -125.69 117.7 24.05 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.463 . . . . 72.409999999999997 110.892 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.5 HD13 ' HB2' ' B' ' 17' ' ' LEU . 3.9 mm? -122.26 111.15 16.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 75.420000000000002 110.917 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.702 ' CG2' HG12 ' B' ' 18' ' ' VAL . 27.5 m -118.31 119.99 63.01 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.211 -0.45 . . . . 74.209999999999994 111.163 179.803 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.466 ' HE1' HD12 ' C' ' 17' ' ' LEU . 4.0 m-85 -109.2 100.58 9.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 75.209999999999994 110.885 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 61.11 66.89 0.84 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.158 -0.474 . . . . 74.129999999999995 110.901 -179.924 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.69 132.62 42.17 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.134 -0.485 . . . . 71.430000000000007 111.089 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 60.51 78.76 0.27 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.238 -0.437 . . . . 71.420000000000002 110.874 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . . . . . . . . . 41.6 t -112.36 148.54 15.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 52.140000000000001 111.097 -179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.08 -46.47 8.24 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.68 -0.771 . . . . 74.450000000000003 112.497 179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -160.47 121.74 3.04 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.874 0.369 . . . . 54.140000000000001 110.825 -179.745 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 16.9 m120 -96.76 100.06 11.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.106 -0.497 . . . . 63.240000000000002 110.868 -179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.49 144.32 45.17 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.164 -0.471 . . . . 73.129999999999995 110.909 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.33 -138.01 20.54 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 70.420000000000002 112.535 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.657 ' HB2' ' CE2' ' H' ' 4' ' ' PHE . . . -102.63 113.24 26.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.779 0.323 . . . . 63.219999999999999 111.114 179.942 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.511 HD13 ' C ' ' C' ' 30' ' ' ALA . 0.0 OUTLIER -124.81 119.25 55.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.451 . . . . 73.200000000000003 111.101 -179.995 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -133.37 113.34 18.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 73.099999999999994 111.125 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.407 ' HA3' ' HB3' ' C' ' 19' ' ' PHE . . . -47.4 -45.62 22.29 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.739 -0.743 . . . . 70.420000000000002 112.489 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.888 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -162.46 147.81 12.48 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.784 0.325 . . . . 71.430000000000007 110.926 -179.916 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 2.9 ttp -129.3 124.17 33.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 63.409999999999997 110.841 179.829 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.859 HG21 HG11 ' H' ' 36' ' ' VAL . 80.6 t -136.81 113.33 12.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.213 -0.449 . . . . 61.43 111.105 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.68 8.03 62.62 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.766 -0.731 . . . . 65.409999999999997 112.521 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.97 -171.68 45.9 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.721 -0.752 . . . . 52.32 112.5 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.934 HG23 HG13 ' B' ' 39' ' ' VAL . 7.2 p -168.39 145.92 1.03 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.826 0.346 . . . . 61.439999999999998 111.158 -179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.482 HG22 HG12 ' B' ' 40' ' ' VAL . 33.8 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.183 -0.462 . . . . 74.530000000000001 111.134 179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.775 0.321 . . . . 72.340000000000003 110.838 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.2 89.22 0.13 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.203 -0.453 . . . . 71.409999999999997 111.115 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . 0.411 ' HA ' ' HA2' ' I' ' 29' ' ' GLY . 4.8 mp0 -52.62 -30.87 33.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 53.43 110.838 -179.889 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . 0.687 ' CE2' ' HB2' ' I' ' 30' ' ' ALA . 2.0 m-85 -157.87 114.01 2.82 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.191 -0.459 . . . . 75.010000000000005 110.9 -179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 4.6 tpt85 -128.68 108.78 10.77 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 71.5 110.837 -179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -110.58 123.94 50.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.18 -0.464 . . . . 53.25 110.853 179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -130.64 101.42 5.69 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.236 -0.438 . . . . 74.439999999999998 110.836 179.976 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' C' ' 8' ' ' SER . 22.2 m -148.44 174.49 12.02 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.241 -0.436 . . . . 64.540000000000006 110.841 -179.76 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.95 -7.85 40.48 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.708 -0.758 . . . . 54.530000000000001 112.495 179.969 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -172.11 110.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.826 0.346 . . . . 75.510000000000005 110.905 -179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -100.13 122.02 42.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.092 -0.504 . . . . 70.329999999999998 110.877 -179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . 0.554 HG12 ' CD2' ' D' ' 14' ' ' HIS . 21.4 t -137.92 114.34 11.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.174 -0.466 . . . . 73.450000000000003 111.147 179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 58.0 m170 -109.36 133.96 52.41 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 74.140000000000001 110.853 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . 0.554 ' CD2' HG12 ' D' ' 12' ' ' VAL . 18.3 m-70 -135.86 114.34 11.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.445 . . . . 73.340000000000003 110.84 -179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.64 133.3 48.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 72.239999999999995 110.925 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.54 ' O ' HD22 ' D' ' 17' ' ' LEU . 7.3 tptm -124.88 116.72 22.68 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.231 -0.441 . . . . 72.209999999999994 110.92 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.54 HD22 ' O ' ' D' ' 16' ' ' LYS . 4.0 mm? -123.73 110.31 14.78 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.261 -0.427 . . . . 74.420000000000002 110.875 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.686 ' CG2' HG12 ' C' ' 18' ' ' VAL . 30.9 m -118.74 120.89 65.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 61.130000000000003 111.112 179.829 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.475 ' HE1' HD12 ' D' ' 17' ' ' LEU . 2.4 m-85 -108.41 100.49 9.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.158 -0.474 . . . . 64.209999999999994 110.892 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . . . . . . . . . 7.4 m-85 61.29 67.87 0.76 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.46 . . . . 73.140000000000001 110.848 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.52 132.69 42.97 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.15 -0.477 . . . . 50.310000000000002 111.098 179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 60.73 78.26 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.18 -0.464 . . . . 64.140000000000001 110.863 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.49 HG11 ' ND2' ' D' ' 27' ' ' ASN . 46.0 t -112.83 147.03 16.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.198 -0.456 . . . . 73.450000000000003 111.114 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.84 -46.39 8.51 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.7 -0.762 . . . . 43.229999999999997 112.513 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -160.42 121.68 3.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.833 0.349 . . . . 53.020000000000003 110.905 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.49 ' ND2' HG11 ' D' ' 24' ' ' VAL . 18.3 m120 -96.57 99.73 11.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.155 -0.475 . . . . 72.109999999999999 110.88 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.28 145.2 43.34 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.14 -0.482 . . . . 74.400000000000006 110.909 179.916 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.04 -137.54 20.07 Favored Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.717 -0.754 . . . . 73.319999999999993 112.482 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.66 ' HB2' ' CE2' ' I' ' 4' ' ' PHE . . . -103.31 112.97 26.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.772 0.32 . . . . 72.430000000000007 111.114 179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.508 ' N ' HD13 ' D' ' 31' ' ' ILE . 0.0 OUTLIER -123.29 119.01 56.37 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 73.219999999999999 111.158 179.949 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -131.53 111.92 19.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 73.140000000000001 111.136 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . 0.431 ' HA3' ' HB3' ' D' ' 19' ' ' PHE . . . -48.08 -43.27 24.75 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.709 -0.757 . . . . 72.450000000000003 112.519 179.922 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.89 HD22 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -163.27 147.08 10.75 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.791 0.329 . . . . 73.519999999999996 110.864 -179.921 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 3.2 ttp -130.48 122.97 28.66 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.195 -0.457 . . . . 75.420000000000002 110.907 179.797 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.856 HG21 HG11 ' I' ' 36' ' ' VAL . 74.1 t -136.77 113.26 12.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 54.43 111.104 179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.46 8.92 60.48 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.755 -0.736 . . . . 63.340000000000003 112.509 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.55 -172.28 46.6 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.724 -0.75 . . . . 61.340000000000003 112.522 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.899 HG23 HG13 ' C' ' 39' ' ' VAL . 7.1 p -167.36 146.24 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.884 0.373 . . . . 70.140000000000001 111.14 -179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.436 HG22 HG12 ' C' ' 40' ' ' VAL . 34.0 m . . . . . 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.459 . . . . 74.530000000000001 111.079 179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.884 0.373 . . . . 73.409999999999997 110.891 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.47 88.81 0.13 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 75.010000000000005 111.068 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . 0.417 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . 5.2 mp0 -52.25 -30.89 29.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.217 -0.447 . . . . 60.240000000000002 110.904 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . 0.622 ' CE2' ' HB2' ' J' ' 30' ' ' ALA . 2.1 m-85 -157.72 115.0 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.135 -0.484 . . . . 63.140000000000001 110.899 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 tpt85 -128.07 108.17 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.469 . . . . 63.32 110.864 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 32.2 t60 -111.16 123.34 50.01 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.191 -0.459 . . . . 72.230000000000004 110.887 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -128.82 100.96 5.89 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.218 -0.446 . . . . 74.150000000000006 110.878 179.995 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 22.6 m -150.02 170.88 17.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.208 -0.451 . . . . 63.439999999999998 110.811 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.27 -7.02 44.12 Favored Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.715 -0.755 . . . . 53.420000000000002 112.414 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -170.02 108.68 0.38 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.87 0.367 . . . . 74.209999999999994 110.904 -179.818 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -101.12 121.45 41.84 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 74.299999999999997 110.872 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . 0.561 HG12 ' CD2' ' E' ' 14' ' ' HIS . 21.3 t -137.77 115.57 12.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.162 -0.472 . . . . 55.210000000000001 111.098 179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 57.2 m170 -108.89 134.26 51.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.191 -0.459 . . . . 75.439999999999998 110.836 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . 0.561 ' CD2' HG12 ' E' ' 12' ' ' VAL . 18.3 m-70 -133.81 113.96 12.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.159 -0.473 . . . . 73.310000000000002 110.843 -179.994 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.9 133.12 46.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 75.230000000000004 110.901 -179.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . 0.538 ' O ' HD22 ' E' ' 17' ' ' LEU . 7.3 tptm -124.96 115.72 21.02 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.217 -0.447 . . . . 74.019999999999996 110.934 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.538 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.2 mm? -124.41 110.06 14.07 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 72.439999999999998 110.912 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.665 ' CG2' HG12 ' D' ' 18' ' ' VAL . 27.5 m -119.38 124.35 72.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.21 -0.45 . . . . 72.030000000000001 111.12 179.844 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.415 ' CD1' ' N ' ' E' ' 19' ' ' PHE . 1.7 m-85 -109.5 99.29 8.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.149 -0.478 . . . . 44.210000000000001 110.892 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 62.81 69.69 0.58 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.171 -0.468 . . . . 73.319999999999993 110.845 -179.939 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -98.36 133.18 43.12 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 44.310000000000002 111.129 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 59.71 79.63 0.22 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.203 -0.453 . . . . 64.409999999999997 110.885 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.549 HG11 ' ND2' ' E' ' 27' ' ' ASN . 48.6 t -114.11 147.5 17.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.142 -0.481 . . . . 65.040000000000006 111.103 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.73 -46.14 8.05 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.685 -0.769 . . . . 55.43 112.474 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.6 m -161.21 122.98 2.96 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.896 0.379 . . . . 75.109999999999999 110.868 -179.748 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.549 ' ND2' HG11 ' E' ' 24' ' ' VAL . 23.4 m120 -96.72 99.94 11.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.156 -0.474 . . . . 73.099999999999994 110.893 -179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.32 145.31 44.09 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 72.329999999999998 110.9 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.08 -139.47 22.7 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.733 -0.746 . . . . 44.219999999999999 112.486 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.634 ' HB2' ' CE2' ' J' ' 4' ' ' PHE . . . -98.95 113.44 25.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.759 0.314 . . . . 64.129999999999995 111.144 179.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.445 ' N ' HD13 ' E' ' 31' ' ' ILE . 0.0 OUTLIER -121.71 121.37 64.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.225 -0.443 . . . . 62.140000000000001 111.119 -179.99 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 mt -133.1 110.64 15.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.177 -0.465 . . . . 71.420000000000002 111.125 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . 0.405 ' HA3' ' HB3' ' E' ' 19' ' ' PHE . . . -51.96 -37.95 45.79 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.755 -0.736 . . . . 55.409999999999997 112.443 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.709 HD22 ' O ' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -166.89 144.59 4.92 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.873 0.368 . . . . 53.240000000000002 110.876 -179.919 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.9 ttp -131.03 122.37 26.67 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.166 -0.47 . . . . 70.0 110.868 179.825 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.858 HG21 HG11 ' J' ' 36' ' ' VAL . 69.2 t -137.9 112.0 8.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.228 -0.442 . . . . 74.219999999999999 111.113 179.971 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 68.59 9.39 58.54 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.743 -0.741 . . . . 63.25 112.524 -179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -87.48 -171.33 47.11 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.779 -0.724 . . . . 70.230000000000004 112.475 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.847 HG23 HG13 ' D' ' 39' ' ' VAL . 7.6 p -167.38 146.89 1.32 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.825 0.345 . . . . 73.439999999999998 111.153 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.422 HG22 ' HA ' ' D' ' 40' ' ' VAL . 34.0 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.209 -0.45 . . . . 72.530000000000001 111.131 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.231 0.112 0 CA-C-O 120.796 0.331 . . . . 72.549999999999997 110.854 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.06 88.98 0.17 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.225 -0.443 . . . . 54.439999999999998 111.102 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 4.5 mp0 -52.67 -31.33 36.71 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.252 -0.431 . . . . 64.230000000000004 110.91 -179.927 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . 0.724 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 1.7 m-85 -155.95 114.04 3.36 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 75.519999999999996 110.908 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 4.5 tpt85 -132.48 108.55 9.2 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.154 -0.475 . . . . 72.099999999999994 110.862 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 33.8 t60 -110.39 124.89 52.56 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.174 -0.466 . . . . 55.210000000000001 110.845 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -131.38 101.65 5.62 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 74.319999999999993 110.907 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 23.1 m -148.37 176.31 10.38 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 64.430000000000007 110.872 -179.747 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.72 -8.97 38.89 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.726 -0.75 . . . . 63.329999999999998 112.514 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -172.33 111.0 0.25 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.871 0.367 . . . . 73.049999999999997 110.898 -179.854 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 2.1 tt0 -101.17 122.44 43.63 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.09 -0.504 . . . . 65.409999999999997 110.859 -179.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.569 HG12 ' CD2' ' F' ' 14' ' ' HIS . 19.4 t -138.89 113.87 8.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.477 . . . . 65.299999999999997 111.125 179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 57.8 m170 -108.58 133.75 52.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 72.310000000000002 110.849 179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . 0.569 ' CD2' HG12 ' F' ' 12' ' ' VAL . 18.3 m-70 -137.5 112.05 8.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 71.299999999999997 110.896 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.46 133.48 49.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.207 -0.451 . . . . 70.409999999999997 110.922 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 7.5 tptm -127.75 117.34 21.71 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.222 -0.444 . . . . 72.200000000000003 110.904 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.484 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.0 mm? -118.32 111.05 18.24 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 74.040000000000006 110.896 179.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.731 HG12 ' CG2' ' G' ' 18' ' ' VAL . 35.7 m -115.9 120.53 65.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.139 -0.482 . . . . 51.299999999999997 111.142 179.832 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.407 ' HD2' HD12 ' G' ' 34' ' ' LEU . 11.1 m-85 -111.69 101.09 9.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.205 -0.452 . . . . 73.540000000000006 110.889 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . . . . . . . . . 6.3 m-85 62.33 65.83 0.84 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 74.319999999999993 110.89 -179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.83 133.11 41.85 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.167 -0.469 . . . . 75.519999999999996 111.092 179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 61.51 78.12 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.234 -0.439 . . . . 70.409999999999997 110.88 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.455 HG11 ' ND2' ' F' ' 27' ' ' ASN . 43.4 t -112.66 147.66 16.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 61.020000000000003 111.125 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -77.65 -47.43 8.78 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.788 -0.72 . . . . 22.510000000000002 112.447 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.5 m -160.63 120.99 2.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.891 0.377 . . . . 63.009999999999998 110.871 -179.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . 0.455 ' ND2' HG11 ' F' ' 24' ' ' VAL . 18.3 m120 -96.93 99.51 11.05 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.096 -0.502 . . . . 60.140000000000001 110.908 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -114.53 140.72 48.52 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.18 -0.464 . . . . 74.409999999999997 110.893 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 80.69 -141.13 22.44 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.712 -0.756 . . . . 52.310000000000002 112.459 179.89 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.736 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . . . -101.74 113.37 26.49 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.803 0.335 . . . . 54.299999999999997 111.105 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.522 HD13 ' C ' ' F' ' 30' ' ' ALA . 0.0 OUTLIER -127.89 123.25 60.46 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 54.329999999999998 111.157 179.981 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 2.8 mt -137.15 114.51 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 75.450000000000003 111.129 179.841 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . . . . . . . . . . . -44.34 -45.69 8.26 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.727 -0.749 . . . . 72.010000000000005 112.52 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.821 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -168.7 146.48 3.95 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.821 0.343 . . . . 74.510000000000005 110.943 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 3.4 ttp -129.55 126.78 39.34 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.188 -0.46 . . . . 64.040000000000006 110.887 179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.797 HG21 HG11 ' A' ' 36' ' ' VAL . 60.9 t -131.81 114.09 24.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 73.239999999999995 111.144 179.952 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.85 6.41 81.93 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.726 -0.749 . . . . 62.020000000000003 112.47 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -90.19 -170.66 43.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.764 -0.732 . . . . 33.109999999999999 112.481 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.932 HG13 HG23 ' G' ' 39' ' ' VAL . 7.1 p -168.92 146.19 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-O 120.854 0.359 . . . . 70.019999999999996 111.145 -179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.486 HG12 HG22 ' G' ' 40' ' ' VAL . 33.9 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 75.420000000000002 111.148 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 . . . . . 0 C--O 1.23 0.061 0 CA-C-O 120.841 0.353 . . . . 74.209999999999994 110.9 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.83 88.9 0.15 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.178 -0.464 . . . . 75.319999999999993 111.128 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 5.1 mp0 -52.62 -31.35 36.2 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.215 -0.448 . . . . 53.530000000000001 110.918 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 4' ' ' PHE . . . . . 0.689 ' CE2' ' HB2' ' B' ' 30' ' ' ALA . 2.1 m-85 -157.82 114.04 2.84 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 75.450000000000003 110.889 -179.949 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 4.3 tpt85 -130.56 109.0 10.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.119 -0.491 . . . . 74.219999999999999 110.899 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -109.96 124.79 52.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 63.409999999999997 110.805 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -131.43 101.38 5.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.209 -0.45 . . . . 72.319999999999993 110.878 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . 0.409 ' O ' ' HA ' ' H' ' 8' ' ' SER . 22.5 m -148.11 175.74 10.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.216 -0.447 . . . . 63.530000000000001 110.884 -179.773 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.63 -8.57 39.93 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.725 -0.75 . . . . 53.100000000000001 112.492 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -172.68 110.24 0.22 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.89 0.376 . . . . 75.319999999999993 110.927 -179.833 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -100.23 121.76 41.97 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.119 -0.491 . . . . 63.229999999999997 110.906 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . 0.57 HG12 ' CD2' ' G' ' 14' ' ' HIS . 21.3 t -137.76 113.98 11.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.103 -0.499 . . . . 64.230000000000004 111.136 179.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 57.6 m170 -108.71 133.36 52.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 75.129999999999995 110.843 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . 0.57 ' CD2' HG12 ' G' ' 12' ' ' VAL . 18.2 m-70 -136.19 113.25 10.46 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.174 -0.466 . . . . 71.400000000000006 110.824 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.5 133.1 49.87 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.219 -0.446 . . . . 65.319999999999993 110.905 -179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . 0.459 ' O ' HD22 ' G' ' 17' ' ' LEU . 7.2 tptm -126.44 117.67 23.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 74.109999999999999 110.877 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.484 HD13 ' HB2' ' F' ' 17' ' ' LEU . 3.6 mm? -120.86 111.05 17.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.239 -0.437 . . . . 74.109999999999999 110.924 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.731 ' CG2' HG12 ' F' ' 18' ' ' VAL . 28.2 m -117.53 119.76 62.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.149 -0.478 . . . . 70.209999999999994 111.106 179.857 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.449 ' CE1' HD12 ' G' ' 17' ' ' LEU . 5.7 m-85 -110.26 101.17 9.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 71.209999999999994 110.866 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 7.6 m-85 61.74 66.18 0.86 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.133 -0.485 . . . . 72.120000000000005 110.894 -179.947 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.58 132.79 41.84 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.122 -0.49 . . . . 52.43 111.128 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 60.98 78.97 0.26 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 74.030000000000001 110.875 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.436 HG11 ' ND2' ' G' ' 27' ' ' ASN . 43.4 t -113.38 147.86 16.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.199 -0.455 . . . . 75.519999999999996 111.113 -179.99 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -78.55 -46.99 8.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.741 . . . . 23.309999999999999 112.5 179.964 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 4.7 m -159.85 121.45 3.23 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.901 0.381 . . . . 74.129999999999995 110.849 -179.709 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . 0.436 ' ND2' HG11 ' G' ' 24' ' ' VAL . 17.3 m120 -97.22 99.49 10.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.093 -0.503 . . . . 65.129999999999995 110.869 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.08 144.29 44.33 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.166 -0.47 . . . . 75.230000000000004 110.913 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 78.57 -139.18 22.01 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.703 -0.761 . . . . 71.129999999999995 112.51 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.701 ' HB2' ' CE2' ' B' ' 4' ' ' PHE . . . -102.79 113.23 26.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.785 0.326 . . . . 50.119999999999997 111.074 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.504 HD13 ' C ' ' G' ' 30' ' ' ALA . 0.0 OUTLIER -125.67 120.67 58.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.198 -0.455 . . . . 72.310000000000002 111.139 179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -134.53 112.1 15.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-N 116.144 -0.48 . . . . 62.299999999999997 111.134 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . 0.403 ' HA3' ' HB3' ' G' ' 19' ' ' PHE . . . -44.77 -44.95 8.79 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.728 -0.749 . . . . 31.309999999999999 112.476 179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.879 HD22 ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -165.11 149.07 8.65 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.781 0.324 . . . . 73.140000000000001 110.904 -179.923 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 2.5 ttp -130.44 126.02 35.91 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 73.439999999999998 110.863 179.826 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.859 HG21 HG11 ' B' ' 36' ' ' VAL . 74.7 t -136.06 113.8 14.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.212 -0.449 . . . . 73.409999999999997 111.131 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.44 7.7 64.78 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.727 -0.749 . . . . 73.200000000000003 112.53 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.1 -171.2 45.54 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.689 -0.767 . . . . 74.239999999999995 112.442 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.932 HG23 HG13 ' F' ' 39' ' ' VAL . 7.1 p -169.07 146.53 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 65.420000000000002 111.146 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.486 HG22 HG12 ' F' ' 40' ' ' VAL . 34.0 m . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.161 -0.472 . . . . 52.409999999999997 111.157 179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.768 0.318 . . . . 72.439999999999998 110.84 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.29 88.84 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.245 -0.434 . . . . 64.510000000000005 111.083 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -52.14 -31.63 31.95 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.189 -0.46 . . . . 70.129999999999995 110.857 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 4' ' ' PHE . . . . . 0.657 ' CE2' ' HB2' ' C' ' 30' ' ' ALA . 2.2 m-85 -157.42 114.1 2.96 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 74.140000000000001 110.91 -179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -129.71 108.95 10.58 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 75.109999999999999 110.883 -179.917 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 36.7 t60 -110.16 124.35 51.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.173 -0.467 . . . . 62.240000000000002 110.869 -179.99 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 9.0 t0 -131.21 101.55 5.62 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.223 -0.444 . . . . 73.019999999999996 110.886 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . 0.409 ' HA ' ' O ' ' G' ' 8' ' ' SER . 21.7 m -147.98 175.44 10.98 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.163 -0.471 . . . . 74.219999999999999 110.855 -179.737 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.72 -8.46 39.93 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.701 -0.761 . . . . 73.430000000000007 112.468 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -172.39 110.24 0.24 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.88 0.372 . . . . 54.539999999999999 110.909 -179.831 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -99.89 122.12 42.36 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.136 -0.483 . . . . 64.430000000000007 110.932 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.56 HG12 ' CD2' ' H' ' 14' ' ' HIS . 21.4 t -138.39 114.19 9.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.177 -0.465 . . . . 71.439999999999998 111.093 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -109.22 133.22 53.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 71.120000000000005 110.876 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . 0.56 ' CD2' HG12 ' H' ' 12' ' ' VAL . 18.2 m-70 -135.56 113.92 11.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.233 -0.44 . . . . 71.049999999999997 110.867 180.0 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 0.1 OUTLIER -127.72 133.23 49.55 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.211 -0.449 . . . . 73.430000000000007 110.934 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . 0.502 ' O ' HD22 ' H' ' 17' ' ' LEU . 7.3 tptm -125.55 117.11 22.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 62.130000000000003 110.851 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.502 HD22 ' O ' ' H' ' 16' ' ' LYS . 3.9 mm? -122.19 111.25 16.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.18 -0.464 . . . . 72.129999999999995 110.884 179.9 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.7 ' CG2' HG12 ' G' ' 18' ' ' VAL . 27.5 m -118.7 120.26 63.61 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.176 -0.465 . . . . 73.409999999999997 111.138 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.471 ' HE1' HD12 ' H' ' 17' ' ' LEU . 3.9 m-85 -109.45 100.58 9.64 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 75.430000000000007 110.842 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 8.1 m-85 61.11 67.06 0.83 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 73.129999999999995 110.852 -179.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -96.8 132.53 42.42 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.176 -0.466 . . . . 74.219999999999999 111.055 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 60.73 79.01 0.26 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 53.32 110.875 179.961 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.427 HG11 ' ND2' ' H' ' 27' ' ' ASN . 41.9 t -112.85 148.21 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.181 -0.463 . . . . 74.450000000000003 111.118 -179.985 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.21 -46.51 8.13 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.755 -0.736 . . . . 31.440000000000001 112.493 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 4.8 m -159.81 121.35 3.23 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.835 0.35 . . . . 72.140000000000001 110.876 -179.739 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . 0.427 ' ND2' HG11 ' H' ' 24' ' ' VAL . 16.9 m120 -97.22 99.39 10.87 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 73.109999999999999 110.87 -179.94 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.04 145.38 43.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.174 -0.466 . . . . 41.399999999999999 110.876 179.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . 0.411 ' HA2' ' HA ' ' C' ' 3' ' ' GLU . . . 78.1 -138.51 21.41 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.724 -0.751 . . . . 54.43 112.483 179.896 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . 0.659 ' HB2' ' CE2' ' C' ' 4' ' ' PHE . . . -102.46 112.94 25.88 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.729 0.299 . . . . 64.25 111.132 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.503 HD13 ' C ' ' H' ' 30' ' ' ALA . 0.0 OUTLIER -124.42 119.58 56.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.253 -0.43 . . . . 74.450000000000003 111.08 -179.992 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -133.59 113.06 18.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 72.010000000000005 111.083 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . 0.415 ' HA3' ' HB3' ' H' ' 19' ' ' PHE . . . -47.38 -45.47 22.15 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.765 -0.731 . . . . 44.240000000000002 112.454 179.892 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.899 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -162.61 147.61 12.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.827 0.346 . . . . 65.129999999999995 110.943 -179.92 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 3.0 ttp -129.27 123.65 32.42 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.172 -0.467 . . . . 71.099999999999994 110.917 179.809 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.859 HG11 HG21 ' C' ' 36' ' ' VAL . 80.4 t -136.4 113.79 13.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.253 -0.431 . . . . 73.540000000000006 111.122 -179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 70.3 8.14 61.68 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.747 -0.74 . . . . 51.009999999999998 112.46 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.72 -171.96 46.27 Favored Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.713 -0.756 . . . . 71.310000000000002 112.485 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.92 HG23 HG13 ' G' ' 39' ' ' VAL . 7.2 p -168.74 146.09 0.96 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.863 0.363 . . . . 73.540000000000006 111.177 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . 0.45 HG22 HG12 ' G' ' 40' ' ' VAL . 33.9 m . . . . . 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 71.549999999999997 111.127 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 . . . . . 0 N--CA 1.458 -0.069 0 CA-C-O 120.852 0.358 . . . . 71.340000000000003 110.891 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.82 88.78 0.15 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.209 -0.45 . . . . 61.450000000000003 111.127 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 4.8 mp0 -52.14 -31.37 30.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.255 -0.43 . . . . 71.239999999999995 110.906 -179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 4' ' ' PHE . . . . . 0.66 ' CE2' ' HB2' ' D' ' 30' ' ' ALA . 2.1 m-85 -157.5 114.16 2.95 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.135 -0.484 . . . . 73.219999999999999 110.943 -179.915 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 4.7 tpt85 -128.95 108.7 10.63 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.161 -0.472 . . . . 72.420000000000002 110.888 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 35.7 t60 -110.52 123.93 50.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 74.140000000000001 110.846 -179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -130.72 101.47 5.69 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 64.129999999999995 110.846 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . 0.403 ' HA ' ' O ' ' H' ' 8' ' ' SER . 21.3 m -148.39 174.6 11.89 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.208 -0.451 . . . . 73.200000000000003 110.813 -179.754 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.75 -8.11 40.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.765 -0.731 . . . . 72.239999999999995 112.49 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 0.7 OUTLIER -172.13 110.32 0.26 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.876 0.37 . . . . 75.409999999999997 110.905 -179.793 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 2.4 tt0 -99.77 122.04 42.16 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.121 -0.491 . . . . 75.040000000000006 110.852 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . 0.556 HG12 ' CD2' ' I' ' 14' ' ' HIS . 21.3 t -137.99 114.27 10.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.134 -0.484 . . . . 63.43 111.1 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 57.6 m170 -109.41 133.91 52.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 71.140000000000001 110.846 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . 0.556 ' CD2' HG12 ' I' ' 12' ' ' VAL . 18.1 m-70 -135.61 114.31 11.89 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 71.329999999999998 110.83 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -128.4 133.16 48.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.164 -0.471 . . . . 73.439999999999998 110.88 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . 0.546 ' O ' HD22 ' I' ' 17' ' ' LEU . 7.3 tptm -124.92 116.45 22.23 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 74.439999999999998 110.937 179.957 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.546 HD22 ' O ' ' I' ' 16' ' ' LYS . 4.0 mm? -123.68 110.38 14.89 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.257 -0.429 . . . . 75.319999999999993 110.914 179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . 0.692 ' CG2' HG12 ' H' ' 18' ' ' VAL . 31.3 m -118.83 120.86 65.38 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 73.519999999999996 111.108 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . 0.467 ' HE1' HD12 ' I' ' 17' ' ' LEU . 2.4 m-85 -108.46 100.44 9.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.175 -0.466 . . . . 72.019999999999996 110.883 -179.977 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . . . . . . . . . 7.1 m-85 61.43 68.22 0.73 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.151 -0.477 . . . . 51.420000000000002 110.854 -179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -97.84 132.98 42.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 42.450000000000003 111.091 179.92 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 60.43 79.09 0.25 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 61.039999999999999 110.831 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.513 HG11 ' ND2' ' I' ' 27' ' ' ASN . 43.3 t -113.66 147.34 17.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 65.140000000000001 111.187 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -79.5 -46.49 7.96 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.743 . . . . 61.210000000000001 112.527 179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 4.7 m -159.65 121.18 3.26 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.868 0.366 . . . . 55.109999999999999 110.846 -179.768 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . 0.513 ' ND2' HG11 ' I' ' 24' ' ' VAL . 18.1 m120 -97.04 99.19 10.72 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.135 -0.484 . . . . 74.109999999999999 110.893 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -116.4 146.48 42.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.167 -0.47 . . . . 63.149999999999999 110.869 179.939 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . 0.411 ' HA2' ' HA ' ' D' ' 3' ' ' GLU . . . 77.79 -137.95 20.82 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.791 -0.719 . . . . 71.340000000000003 112.463 179.908 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.687 ' HB2' ' CE2' ' D' ' 4' ' ' PHE . . . -103.11 112.85 25.89 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.76 0.314 . . . . 53.5 111.15 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.508 ' N ' HD13 ' I' ' 31' ' ' ILE . 0.0 OUTLIER -123.13 119.82 58.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.248 -0.433 . . . . 71.530000000000001 111.115 -179.967 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 3.2 mt -132.36 111.86 18.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 74.150000000000006 111.13 179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . 0.416 ' HA3' ' HB3' ' I' ' 19' ' ' PHE . . . -48.39 -43.07 26.77 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.69 -0.767 . . . . 51.229999999999997 112.499 179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.894 HD22 ' O ' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -163.6 146.95 10.16 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.789 0.328 . . . . 64.530000000000001 110.896 -179.946 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 3.1 ttp -130.12 122.96 29.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 70.420000000000002 110.901 179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.856 HG11 HG21 ' D' ' 36' ' ' VAL . 71.3 t -137.18 113.61 12.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.233 -0.44 . . . . 64.129999999999995 111.139 179.944 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.38 8.77 59.95 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.774 -0.727 . . . . 73.140000000000001 112.444 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -89.0 -173.36 46.51 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.741 -0.742 . . . . 72.030000000000001 112.494 -179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 0.909 HG23 HG13 ' H' ' 39' ' ' VAL . 7.2 p -167.34 146.51 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 64.230000000000004 111.111 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . 0.427 ' HA ' HG22 ' J' ' 40' ' ' VAL . 34.1 m . . . . . 0 C--N 1.33 -0.27 0 CA-C-N 116.146 -0.479 . . . . 75.150000000000006 111.101 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 7.7 m-20 . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.791 0.329 . . . . 73.319999999999993 110.879 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.82 88.74 0.15 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 75.109999999999999 111.053 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 4.9 mp0 -51.96 -31.5 29.3 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.187 -0.46 . . . . 71.530000000000001 110.953 -179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' J' J ' 4' ' ' PHE . . . . . 0.634 ' CE2' ' HB2' ' E' ' 30' ' ' ALA . 2.1 m-85 -157.88 115.04 2.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.127 -0.488 . . . . 75.129999999999995 110.867 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 4.4 tpt85 -128.6 108.55 10.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.167 -0.469 . . . . 73.299999999999997 110.849 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 34.5 t60 -111.0 123.06 49.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.221 -0.445 . . . . 75.109999999999999 110.857 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 9.1 t0 -128.88 101.12 5.95 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.212 -0.449 . . . . 73.129999999999995 110.832 179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 23.8 m -149.52 170.4 18.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 71.040000000000006 110.845 -179.777 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.41 -7.06 46.67 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.738 -0.744 . . . . 61.420000000000002 112.466 -179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -170.51 108.4 0.33 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.856 0.36 . . . . 72.0 110.951 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 2.6 tt0 -100.18 121.16 41.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 74.099999999999994 110.857 -179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . 0.571 HG12 ' CD2' ' J' ' 14' ' ' HIS . 21.3 t -137.73 115.01 12.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.144 -0.48 . . . . 65.349999999999994 111.12 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 57.5 m170 -108.46 134.72 50.85 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.462 . . . . 61.439999999999998 110.882 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . 0.571 ' CD2' HG12 ' J' ' 12' ' ' VAL . 18.3 m-70 -134.34 113.75 12.25 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.226 -0.443 . . . . 74.530000000000001 110.867 -179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -129.69 132.96 46.81 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.246 -0.433 . . . . 71.030000000000001 110.935 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . 0.54 ' O ' HD22 ' J' ' 17' ' ' LEU . 7.2 tptm -124.92 115.77 21.14 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 74.209999999999994 110.917 179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.54 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.2 mm? -124.52 109.89 13.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.217 -0.447 . . . . 75.519999999999996 110.891 179.934 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.679 ' CG2' HG12 ' I' ' 18' ' ' VAL . 26.4 m -119.3 124.48 73.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 73.400000000000006 111.122 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.423 ' CD1' ' N ' ' J' ' 19' ' ' PHE . 1.6 m-85 -109.89 99.25 8.41 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.149 -0.478 . . . . 73.120000000000005 110.895 -179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . . . . . . . . . 6.0 m-85 62.82 70.06 0.57 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.134 -0.485 . . . . 74.319999999999993 110.89 -179.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -99.05 132.83 44.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.122 -0.49 . . . . 74.409999999999997 111.117 179.948 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 60.12 79.76 0.23 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.254 -0.43 . . . . 73.200000000000003 110.84 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.554 HG11 ' ND2' ' J' ' 27' ' ' ASN . 47.4 t -114.48 147.79 17.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.189 -0.459 . . . . 62.219999999999999 111.144 179.982 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -80.07 -46.48 7.62 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.741 -0.742 . . . . 73.420000000000002 112.484 179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 4.5 m -160.35 121.86 3.11 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.847 0.356 . . . . 73.519999999999996 110.855 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . 0.554 ' ND2' HG11 ' J' ' 24' ' ' VAL . 22.6 m120 -96.65 99.25 10.87 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.137 -0.483 . . . . 64.209999999999994 110.911 179.995 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -117.05 146.7 42.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.236 -0.438 . . . . 63.43 110.885 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . 0.417 ' HA2' ' HA ' ' E' ' 3' ' ' GLU . . . 77.53 -140.56 24.53 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 73.430000000000007 112.538 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 0.622 ' HB2' ' CE2' ' E' ' 4' ' ' PHE . . . -98.4 112.91 24.76 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.788 0.328 . . . . 72.230000000000004 111.108 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.439 ' N ' HD13 ' J' ' 31' ' ' ILE . 0.0 OUTLIER -121.44 121.96 65.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.202 -0.454 . . . . 61.530000000000001 111.101 179.991 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 3.0 mt -132.91 110.38 15.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.464 . . . . 64.349999999999994 111.133 179.846 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . 0.401 ' HA3' ' HB3' ' J' ' 19' ' ' PHE . . . -51.83 -36.85 42.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.732 -0.746 . . . . 52.5 112.509 179.893 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.719 HD22 ' O ' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -168.23 144.7 3.91 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-O 120.76 0.314 . . . . 74.299999999999997 110.932 -179.889 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 3.5 ttp -130.51 121.69 26.24 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 62.310000000000002 110.903 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.858 HG11 HG21 ' E' ' 36' ' ' VAL . 78.4 t -138.27 111.7 7.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.232 -0.44 . . . . 63.340000000000003 111.163 179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 69.29 9.02 60.1 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 61.439999999999998 112.485 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -88.41 -170.78 45.93 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.789 -0.719 . . . . 64.010000000000005 112.465 -179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.843 HG23 HG13 ' I' ' 39' ' ' VAL . 7.6 p -167.96 147.02 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.916 0.389 . . . . 73.120000000000005 111.117 -179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.427 HG22 ' HA ' ' I' ' 40' ' ' VAL . 34.2 m . . . . . 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 74.219999999999999 111.11 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.091 0 CA-C-O 120.821 0.343 . . . . 61.329999999999998 110.857 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -92.08 91.72 7.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 73.219999999999999 111.12 179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . 0.551 ' HB3' ' HA2' ' F' ' 29' ' ' GLY . 3.4 mm-40 -56.32 -40.41 74.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 74.310000000000002 110.93 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -169.92 116.34 0.55 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.158 -0.474 . . . . 72.519999999999996 110.892 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -103.51 108.28 19.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 71.310000000000002 110.873 -179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -109.29 114.91 28.99 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.207 -0.451 . . . . 74.219999999999999 110.806 -179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -135.16 100.76 4.64 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 61.329999999999998 110.847 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.488 ' O ' ' HA ' ' B' ' 8' ' ' SER . 80.0 p -147.91 127.91 13.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.201 -0.454 . . . . 64.439999999999998 110.871 -179.768 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.57 -21.5 21.38 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.746 -0.74 . . . . 44.43 112.452 -179.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -159.74 111.56 2.05 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.839 0.352 . . . . 71.319999999999993 110.9 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -109.65 119.68 40.15 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.136 -0.484 . . . . 63.210000000000001 110.867 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 38.6 t -138.19 134.9 44.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.137 -0.483 . . . . 74.140000000000001 111.109 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 34.8 m170 -130.51 112.71 13.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.168 -0.469 . . . . 74.230000000000004 110.824 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -117.04 126.46 52.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 71.129999999999995 110.852 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.557 ' HG3' HG12 ' F' ' 39' ' ' VAL . 0.0 OUTLIER -130.09 133.48 46.71 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 61.310000000000002 110.892 -179.922 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.506 ' C ' HD22 ' A' ' 17' ' ' LEU . 8.7 tttp -126.4 125.04 41.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.207 -0.452 . . . . 73.409999999999997 110.881 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.662 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.5 mm? -124.22 103.09 8.05 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 74.549999999999997 110.935 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.696 HG12 ' HB2' ' A' ' 21' ' ' ALA . 2.1 t -109.61 111.22 35.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 61.200000000000003 111.158 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.446 ' HD2' HD12 ' B' ' 34' ' ' LEU . 7.4 m-85 -102.94 138.83 39.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.172 -0.467 . . . . 73.519999999999996 110.812 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.645 ' CE1' HG22 ' A' ' 31' ' ' ILE . 16.7 m-85 62.02 39.97 12.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.118 -0.492 . . . . 74.310000000000002 110.906 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.696 ' HB2' HG12 ' A' ' 18' ' ' VAL . . . -91.35 121.91 33.5 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.118 -0.492 . . . . 72.239999999999995 111.083 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 51.6 m-20 60.49 75.49 0.41 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 65.209999999999994 110.878 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.641 ' CG1' HG23 ' B' ' 24' ' ' VAL . 4.0 p -129.28 142.64 43.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.204 -0.453 . . . . 72.150000000000006 111.112 -179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.91 -48.48 78.5 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.724 -0.75 . . . . 73.310000000000002 112.495 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.07 141.75 0.09 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.898 0.38 . . . . 61.219999999999999 110.883 -179.756 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . 0.528 ' OD1' HG21 ' A' ' 31' ' ' ILE . 93.9 m-20 -101.22 107.83 19.32 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 54.32 110.869 -179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.81 159.92 18.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 52.43 110.916 179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.93 -128.94 22.22 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.746 -0.74 . . . . 64.140000000000001 112.471 179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.16 113.79 26.15 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.779 0.323 . . . . 62.130000000000003 111.065 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.645 HG22 ' CE1' ' A' ' 20' ' ' PHE . 0.6 OUTLIER -128.42 124.81 62.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.218 -0.446 . . . . 71.140000000000001 111.145 179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 7.9 mt -134.78 116.56 21.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.146 -0.479 . . . . 73.430000000000007 111.15 179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.408 ' N ' ' CZ ' ' A' ' 20' ' ' PHE . . . -47.46 -53.08 12.97 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.719 -0.753 . . . . 64.129999999999995 112.458 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.828 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -159.01 153.31 23.93 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.845 0.355 . . . . 74.409999999999997 110.926 -179.952 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 6.1 mtp -132.98 131.32 40.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 62.43 110.851 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 1.085 HG11 HG21 ' F' ' 36' ' ' VAL . 50.6 t -121.11 115.61 47.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 72.030000000000001 111.143 179.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 54.18 27.89 40.44 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.778 -0.725 . . . . 41.32 112.497 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.97 -177.55 17.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.787 -0.721 . . . . 61.5 112.501 -179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.56 HG12 ' HG3' ' F' ' 15' ' ' GLN . 8.0 p -148.96 136.26 13.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.377 . . . . 53.020000000000003 111.139 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.456 ' C ' HG22 ' B' ' 40' ' ' VAL . 22.0 m . . . . . 0 C--N 1.329 -0.305 0 CA-C-N 116.185 -0.461 . . . . 61.530000000000001 111.095 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.086 0 CA-C-O 120.821 0.343 . . . . 33.32 110.872 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . 0.404 ' HB1' ' HG2' ' B' ' 5' ' ' ARG . . . -88.61 95.46 10.26 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 73.209999999999994 111.091 179.973 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . 0.513 ' HB3' ' HA2' ' G' ' 29' ' ' GLY . 4.4 mm-40 -54.28 -32.89 57.41 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.446 . . . . 70.310000000000002 110.935 -179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . . . . . . . . . 0.9 OUTLIER -168.45 118.91 0.77 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.113 -0.494 . . . . 74.209999999999994 110.877 -179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . 0.404 ' HG2' ' HB1' ' B' ' 2' ' ' ALA . 5.7 mmt85 -105.46 107.89 19.12 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 71.430000000000007 110.828 -179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -108.69 116.24 31.6 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 70.140000000000001 110.862 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -131.98 100.98 5.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 65.219999999999999 110.884 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.513 ' O ' ' HA ' ' C' ' 8' ' ' SER . 79.5 p -148.0 126.43 12.37 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 75.109999999999999 110.86 -179.738 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -54.88 -20.93 21.43 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.776 -0.726 . . . . 74.129999999999995 112.492 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . 0.406 ' HD1' HG23 ' B' ' 12' ' ' VAL . 0.9 OUTLIER -161.29 109.04 1.49 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.89 0.376 . . . . 71.400000000000006 110.961 -179.839 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -106.9 120.2 41.41 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.09 -0.505 . . . . 65.519999999999996 110.894 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . 0.406 HG23 ' HD1' ' B' ' 10' ' ' TYR . 41.3 t -137.3 135.57 47.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.478 . . . . 74.430000000000007 111.131 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 34.9 m170 -131.33 112.8 13.06 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 75.420000000000002 110.834 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -115.61 128.44 55.94 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 61.25 110.865 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.574 ' HG3' HG12 ' G' ' 39' ' ' VAL . 0.0 OUTLIER -128.94 134.3 48.17 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.203 -0.453 . . . . 53.509999999999998 110.905 -179.964 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.571 ' O ' HD22 ' B' ' 17' ' ' LEU . 8.3 tttp -124.2 125.79 45.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 65.209999999999994 110.926 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.669 ' HB2' HD13 ' C' ' 17' ' ' LEU . 4.6 mm? -127.6 102.15 6.72 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.435 . . . . 71.420000000000002 110.946 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.854 HG12 ' HB2' ' B' ' 21' ' ' ALA . 1.5 t -109.31 113.25 43.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.193 -0.458 . . . . 53.100000000000001 111.152 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.488 ' CE1' HD12 ' B' ' 17' ' ' LEU . 4.8 m-85 -107.7 134.3 50.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.166 -0.47 . . . . 71.439999999999998 110.892 -179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.651 ' HE1' HG22 ' B' ' 31' ' ' ILE . 20.5 m-85 62.13 39.45 12.89 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.13 -0.486 . . . . 70.420000000000002 110.84 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.854 ' HB2' HG12 ' B' ' 18' ' ' VAL . . . -91.24 124.3 35.34 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.217 -0.447 . . . . 64.120000000000005 111.069 179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 51.3 m-20 57.45 75.38 0.37 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.197 -0.456 . . . . 72.239999999999995 110.895 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.683 HG11 HG23 ' C' ' 24' ' ' VAL . 6.7 p -127.42 142.25 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 73.319999999999993 111.167 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.46 -47.08 92.63 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.74 -0.743 . . . . 31.539999999999999 112.527 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.97 140.4 0.1 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.852 0.358 . . . . 72.540000000000006 110.856 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.55 ' OD1' HG21 ' B' ' 31' ' ' ILE . 92.2 m-20 -101.85 107.96 19.3 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 64.209999999999994 110.901 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.67 161.17 16.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.16 -0.473 . . . . 72.200000000000003 110.882 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.11 -130.08 18.59 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.742 -0.742 . . . . 54.130000000000003 112.488 179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.72 114.18 26.45 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.751 0.31 . . . . 72.140000000000001 111.091 179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.651 HG22 ' HE1' ' B' ' 20' ' ' PHE . 0.5 OUTLIER -127.56 121.9 58.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.246 -0.433 . . . . 64.329999999999998 111.162 179.926 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.4 HG21 ' HG3' ' B' ' 35' ' ' MET . 6.8 mt -131.44 118.06 38.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 73.310000000000002 111.168 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . 0.4 ' N ' ' CZ ' ' B' ' 20' ' ' PHE . . . -48.07 -52.97 15.97 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 75.120000000000005 112.493 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.842 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -155.83 151.65 27.42 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.829 0.347 . . . . 73.310000000000002 110.904 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.4 ' HG3' HG21 ' B' ' 32' ' ' ILE . 5.4 mtp -129.23 124.92 35.75 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 74.109999999999999 110.868 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 1.034 HG21 HG11 ' G' ' 36' ' ' VAL . 53.2 t -121.73 113.64 39.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.245 -0.434 . . . . 44.130000000000003 111.178 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.88 28.51 31.96 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.724 -0.751 . . . . 21.41 112.527 -179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.35 -178.05 17.02 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.711 -0.757 . . . . 41.43 112.482 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.574 HG12 ' HG3' ' G' ' 15' ' ' GLN . 7.3 p -149.37 135.09 11.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.88 0.371 . . . . 53.310000000000002 111.151 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.501 ' C ' HG22 ' C' ' 40' ' ' VAL . 19.2 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.221 -0.445 . . . . 74.329999999999998 111.088 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.812 0.339 . . . . 65.340000000000003 110.859 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . 0.442 ' HB1' ' HG2' ' C' ' 5' ' ' ARG . . . -89.71 95.18 10.13 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 54.439999999999998 111.068 179.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.422 ' HA ' ' HG3' ' B' ' 3' ' ' GLU . 4.2 mm-40 -55.82 -30.97 62.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.228 -0.442 . . . . 62.109999999999999 110.887 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -169.52 115.74 0.57 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 73.109999999999999 110.92 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . 0.442 ' HG2' ' HB1' ' C' ' 2' ' ' ALA . 5.6 mmt85 -105.82 106.99 17.75 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.17 -0.468 . . . . 75.299999999999997 110.916 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -108.31 117.73 34.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.15 -0.477 . . . . 71.510000000000005 110.882 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -130.88 100.18 5.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.216 -0.447 . . . . 75.530000000000001 110.906 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . 0.513 ' HA ' ' O ' ' B' ' 8' ' ' SER . 79.4 p -147.5 127.37 13.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.229 -0.441 . . . . 62.420000000000002 110.853 -179.716 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.23 -20.95 23.93 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.697 -0.763 . . . . 63.210000000000001 112.51 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . 0.406 ' HD1' HG23 ' C' ' 12' ' ' VAL . 1.0 OUTLIER -162.01 110.94 1.47 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.834 0.35 . . . . 55.439999999999998 110.922 -179.811 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -108.19 120.37 42.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.096 -0.502 . . . . 73.200000000000003 110.874 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . 0.406 HG23 ' HD1' ' C' ' 10' ' ' TYR . 41.6 t -136.87 135.69 48.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 63.219999999999999 111.148 179.945 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 37.6 m170 -131.07 113.09 13.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.179 -0.464 . . . . 74.209999999999994 110.849 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -114.14 130.37 56.6 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.192 -0.458 . . . . 74.310000000000002 110.862 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.519 ' HG3' HG12 ' H' ' 39' ' ' VAL . 0.0 OUTLIER -130.1 134.12 47.14 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.207 -0.451 . . . . 74.450000000000003 110.931 -179.957 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.627 ' O ' HD22 ' C' ' 17' ' ' LEU . 8.3 tttp -123.46 123.96 41.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 72.540000000000006 110.905 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.669 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.6 mm? -129.34 101.95 6.21 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.238 -0.437 . . . . 71.239999999999995 110.946 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.857 HG12 ' HB2' ' C' ' 21' ' ' ALA . 1.4 t -110.51 114.48 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.248 -0.433 . . . . 62.340000000000003 111.138 179.85 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.467 ' HE1' HD12 ' C' ' 17' ' ' LEU . 3.4 m-85 -108.06 133.69 52.01 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.137 -0.483 . . . . 74.519999999999996 110.877 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.659 ' HE1' HG22 ' C' ' 31' ' ' ILE . 21.0 m-85 60.64 40.66 16.27 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 73.310000000000002 110.877 -179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.857 ' HB2' HG12 ' C' ' 18' ' ' VAL . . . -90.42 124.9 35.34 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.138 -0.483 . . . . 72.430000000000007 111.106 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 50.1 m-20 53.87 75.18 0.28 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 75.200000000000003 110.854 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.692 HG11 HG23 ' D' ' 24' ' ' VAL . 9.3 p -123.3 140.55 46.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 70.420000000000002 111.126 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.17 -46.14 94.25 Favored Glycine 0 N--CA 1.45 -0.38 0 C-N-CA 120.772 -0.728 . . . . 55.420000000000002 112.5 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.9 137.78 0.09 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.932 0.396 . . . . 63.299999999999997 110.849 -179.737 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.518 ' OD1' HG21 ' C' ' 31' ' ' ILE . 92.4 m-20 -101.56 106.62 17.72 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.136 -0.484 . . . . 74.430000000000007 110.897 -179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.45 161.21 15.9 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 74.230000000000004 110.911 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 48.92 -131.6 23.57 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.803 -0.713 . . . . 73.540000000000006 112.462 179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.01 114.07 25.87 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.81 0.338 . . . . 35.200000000000003 111.12 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.659 HG22 ' HE1' ' C' ' 20' ' ' PHE . 0.5 OUTLIER -127.0 121.46 58.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.215 -0.448 . . . . 74.239999999999995 111.13 -179.981 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.47 HG21 ' HG3' ' C' ' 35' ' ' MET . 6.9 mt -130.51 117.99 41.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.191 -0.459 . . . . 64.010000000000005 111.128 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -48.45 -53.03 17.54 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.724 -0.751 . . . . 52.109999999999999 112.525 179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.867 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -154.41 149.64 27.04 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.834 0.349 . . . . 73.310000000000002 110.871 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.47 ' HG3' HG21 ' C' ' 32' ' ' ILE . 6.0 mtp -128.15 123.25 33.91 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 64.129999999999995 110.862 179.798 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 1.001 HG21 HG11 ' H' ' 36' ' ' VAL . 62.1 t -122.71 112.53 34.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.214 -0.448 . . . . 73.010000000000005 111.134 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.82 31.01 30.45 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.743 -0.741 . . . . 72.319999999999993 112.506 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.23 -178.7 16.65 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.743 -0.741 . . . . 40.149999999999999 112.477 -179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.545 HG23 HG13 ' B' ' 39' ' ' VAL . 7.7 p -149.46 134.56 10.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.856 0.36 . . . . 74.230000000000004 111.139 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.526 ' C ' HG22 ' D' ' 40' ' ' VAL . 18.1 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.456 . . . . 73.310000000000002 111.167 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.079 0 CA-C-O 120.789 0.328 . . . . 73.140000000000001 110.851 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . 0.493 ' HB1' ' HG2' ' D' ' 5' ' ' ARG . . . -90.12 93.87 9.55 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 73.0 111.066 179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . 0.403 ' HA ' ' HG3' ' C' ' 3' ' ' GLU . 4.1 mm-40 -55.21 -29.28 57.63 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 74.209999999999994 110.889 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -170.4 115.76 0.49 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.161 -0.472 . . . . 70.129999999999995 110.888 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . 0.493 ' HG2' ' HB1' ' D' ' 2' ' ' ALA . 5.7 mmt85 -106.63 106.53 17.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.128 -0.487 . . . . 61.509999999999998 110.868 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -107.53 119.21 38.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 75.540000000000006 110.9 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -130.14 100.05 5.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.231 -0.441 . . . . 75.129999999999995 110.879 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . 0.508 ' HA ' ' O ' ' C' ' 8' ' ' SER . 79.5 p -148.05 127.27 12.96 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 53.340000000000003 110.875 -179.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.48 -21.1 26.23 Favored Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.72 -0.752 . . . . 64.409999999999997 112.511 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -162.43 110.9 1.38 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.861 0.362 . . . . 73.340000000000003 110.928 -179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -108.02 120.81 43.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.136 -0.484 . . . . 75.299999999999997 110.934 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 41.7 t -136.67 135.76 48.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.176 -0.466 . . . . 60.140000000000001 111.102 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 37.7 m170 -130.38 114.11 15.18 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.15 -0.477 . . . . 75.299999999999997 110.858 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -113.5 131.69 55.96 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.226 -0.443 . . . . 71.450000000000003 110.862 -179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . 0.433 ' HG3' HG12 ' I' ' 39' ' ' VAL . 0.0 OUTLIER -132.01 133.76 44.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.25 -0.432 . . . . 74.109999999999999 110.91 -179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.664 ' O ' HD22 ' D' ' 17' ' ' LEU . 8.3 tttp -122.6 121.69 37.07 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 64.319999999999993 110.867 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.664 HD22 ' O ' ' D' ' 16' ' ' LYS . 4.6 mm? -130.48 101.44 5.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.233 -0.439 . . . . 65.329999999999998 110.952 179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.845 HG12 ' HB2' ' D' ' 21' ' ' ALA . 0.8 OUTLIER -110.57 116.41 52.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.238 -0.437 . . . . 75.420000000000002 111.12 179.874 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.494 ' HD2' HD12 ' E' ' 34' ' ' LEU . 2.2 m-85 -108.06 133.58 52.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.167 -0.469 . . . . 72.510000000000005 110.852 -179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.651 ' HE1' HG22 ' D' ' 31' ' ' ILE . 19.7 m-85 58.5 40.67 23.65 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.131 -0.486 . . . . 74.299999999999997 110.882 -179.883 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . 0.845 ' HB2' HG12 ' D' ' 18' ' ' VAL . . . -90.36 124.08 34.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 74.439999999999998 111.066 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 49.1 m-20 54.09 73.27 0.4 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 73.109999999999999 110.859 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.692 HG23 HG11 ' C' ' 24' ' ' VAL . 9.9 p -119.11 138.03 51.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.205 -0.452 . . . . 63.549999999999997 111.13 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.91 -44.55 96.01 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.759 -0.734 . . . . 71.450000000000003 112.461 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.43 134.45 0.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.89 0.376 . . . . 75.299999999999997 110.884 -179.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.496 ' OD1' HG21 ' D' ' 31' ' ' ILE . 92.5 m-20 -101.23 106.43 17.64 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 72.519999999999996 110.851 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -110.83 161.46 15.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.157 -0.474 . . . . 62.340000000000003 110.92 179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 49.73 -131.99 27.17 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.708 -0.758 . . . . 41.399999999999999 112.49 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.08 114.03 25.86 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.758 0.313 . . . . 73.540000000000006 111.119 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.651 HG22 ' HE1' ' D' ' 20' ' ' PHE . 0.5 OUTLIER -127.62 121.36 56.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.248 -0.433 . . . . 64.409999999999997 111.149 179.971 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.562 HG21 ' HG3' ' D' ' 35' ' ' MET . 6.9 mt -129.62 118.19 44.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 44.539999999999999 111.158 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.11 -54.11 16.32 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.689 -0.767 . . . . 71.209999999999994 112.457 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.882 HD22 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -152.18 146.8 25.74 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.772 0.32 . . . . 72.319999999999993 110.902 -179.894 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.562 ' HG3' HG21 ' D' ' 32' ' ' ILE . 6.5 mtp -127.89 123.1 34.19 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.173 -0.467 . . . . 61.420000000000002 110.908 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 1.022 HG11 HG21 ' I' ' 36' ' ' VAL . 59.4 t -125.53 112.39 30.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.239 -0.437 . . . . 63.530000000000001 111.135 179.963 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.3 31.27 34.5 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.695 -0.764 . . . . 63.530000000000001 112.483 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -119.12 -178.85 16.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.757 -0.735 . . . . 61.119999999999997 112.519 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.527 HG23 HG13 ' C' ' 39' ' ' VAL . 9.0 p -149.53 134.08 9.51 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-O 120.918 0.39 . . . . 74.109999999999999 111.123 179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.526 HG22 ' C ' ' C' ' 40' ' ' VAL . 18.4 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.167 -0.47 . . . . 72.109999999999999 111.112 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.815 0.341 . . . . 71.120000000000005 110.897 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . 0.511 ' HB1' ' HG2' ' E' ' 5' ' ' ARG . . . -89.69 93.31 9.41 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.206 -0.452 . . . . 75.439999999999998 111.086 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 3.7 mm-40 -55.44 -27.21 46.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.242 -0.435 . . . . 71.329999999999998 110.873 -179.948 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . 0.425 ' CD1' ' HB2' ' J' ' 30' ' ' ALA . 1.8 t80 -168.98 118.18 0.69 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.147 -0.479 . . . . 73.430000000000007 110.87 -179.895 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . 0.511 ' HG2' ' HB1' ' E' ' 2' ' ' ALA . 5.8 mmt85 -107.27 106.4 16.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.128 -0.487 . . . . 73.129999999999995 110.899 -179.957 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 3.4 t60 -108.2 119.19 38.77 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 54.340000000000003 110.886 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -128.28 99.44 5.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.219 -0.446 . . . . 62.340000000000003 110.863 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . 0.469 ' HA ' ' O ' ' D' ' 8' ' ' SER . 79.5 p -150.06 129.88 13.31 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 74.510000000000005 110.84 -179.755 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -59.09 -20.25 48.9 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.743 -0.742 . . . . 61.5 112.533 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -162.17 111.08 1.45 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.866 0.365 . . . . 72.510000000000005 110.931 -179.825 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -110.03 120.29 41.99 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.114 -0.494 . . . . 64.030000000000001 110.895 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 37.6 t -136.89 137.55 46.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.472 . . . . 74.150000000000006 111.082 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . 0.505 ' HB3' HG21 ' J' ' 39' ' ' VAL . 36.9 m170 -130.94 113.58 14.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 72.329999999999998 110.852 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -111.17 132.02 54.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.197 -0.456 . . . . 73.540000000000006 110.839 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -131.96 137.5 47.94 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 64.099999999999994 110.925 -179.92 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . 0.709 ' O ' HD22 ' E' ' 17' ' ' LEU . 7.6 tttp -123.24 120.04 31.98 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 74.430000000000007 110.878 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.709 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.5 mm? -132.09 101.97 5.62 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.236 -0.438 . . . . 72.049999999999997 110.937 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.797 HG12 ' HB2' ' E' ' 21' ' ' ALA . 0.2 OUTLIER -111.14 120.52 61.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.218 -0.446 . . . . 75.129999999999995 111.116 179.877 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.486 ' HE1' HD12 ' E' ' 17' ' ' LEU . 1.8 m-85 -110.35 133.1 53.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 70.239999999999995 110.898 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.546 ' HE1' HG22 ' E' ' 31' ' ' ILE . 20.6 m-85 55.63 40.2 30.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 75.519999999999996 110.883 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . 0.797 ' HB2' HG12 ' E' ' 18' ' ' VAL . . . -90.07 125.11 35.3 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 74.109999999999999 111.087 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 48.6 m-20 52.64 73.56 0.34 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.184 -0.462 . . . . 74.099999999999994 110.891 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.666 HG23 HG11 ' D' ' 24' ' ' VAL . 9.9 p -117.01 135.93 55.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.182 -0.463 . . . . 71.239999999999995 111.122 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.5 -43.12 97.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.704 -0.76 . . . . 63.030000000000001 112.495 179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.68 128.64 0.05 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.858 0.361 . . . . 73.510000000000005 110.881 -179.712 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.519 ' OD1' HG21 ' E' ' 31' ' ' ILE . 85.7 m-20 -99.0 107.81 20.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 61.140000000000001 110.858 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.44 162.94 15.03 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 71.299999999999997 110.895 179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . 0.414 ' HA2' ' O ' ' J' ' 3' ' ' GLU . . . 49.84 -133.27 27.4 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.765 -0.731 . . . . 63.200000000000003 112.469 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.78 113.78 25.99 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.772 0.32 . . . . 72.299999999999997 111.08 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.546 HG22 ' HE1' ' E' ' 20' ' ' PHE . 0.5 OUTLIER -127.75 119.95 52.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 74.200000000000003 111.149 179.988 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.577 HG21 ' HG3' ' E' ' 35' ' ' MET . 6.6 mt -124.66 117.48 50.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.212 -0.449 . . . . 75.129999999999995 111.1 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . 0.479 ' C ' HD13 ' E' ' 34' ' ' LEU . . . -50.02 -49.21 36.87 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.735 -0.745 . . . . 61.520000000000003 112.504 179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.816 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -152.95 149.91 28.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.821 0.343 . . . . 75.439999999999998 110.906 -179.941 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.577 ' HG3' HG21 ' E' ' 32' ' ' ILE . 7.4 mtp -132.03 121.65 24.21 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.218 -0.446 . . . . 64.319999999999993 110.855 179.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.997 HG21 HG11 ' J' ' 36' ' ' VAL . 69.7 t -128.41 110.63 21.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.256 0 CA-C-N 116.206 -0.452 . . . . 72.120000000000005 111.131 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 50.22 30.98 18.7 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.73 -0.748 . . . . 41.310000000000002 112.477 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.11 -178.33 17.18 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.747 -0.739 . . . . 75.409999999999997 112.477 -179.873 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.412 HG21 ' HB3' ' J' ' 13' ' ' HIS . 9.1 p -149.52 135.67 12.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-O 120.876 0.37 . . . . 61.240000000000002 111.092 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.424 HG22 ' C ' ' D' ' 40' ' ' VAL . 19.0 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 71.409999999999997 111.128 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.085 0 CA-C-O 120.81 0.338 . . . . 63.229999999999997 110.896 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . 0.571 ' HB1' ' HG2' ' F' ' 5' ' ' ARG . . . -81.24 86.48 6.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.186 -0.461 . . . . 71.420000000000002 111.12 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -51.83 -36.32 47.72 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.176 -0.466 . . . . 75.140000000000001 110.911 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -158.52 115.75 2.85 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 72.430000000000007 110.893 -179.968 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . 0.571 ' HG2' ' HB1' ' F' ' 2' ' ' ALA . 5.5 mmt85 -107.77 108.57 19.84 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 74.129999999999995 110.901 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 4.3 t60 -110.87 113.86 26.75 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 71.409999999999997 110.872 -179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -127.56 105.68 8.65 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.209 -0.45 . . . . 72.219999999999999 110.86 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . 0.455 ' O ' ' HA ' ' G' ' 8' ' ' SER . 79.3 p -144.79 127.69 16.4 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 75.120000000000005 110.885 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.46 -20.62 24.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.707 -0.759 . . . . 75.5 112.529 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . 0.414 ' HD1' HG23 ' F' ' 12' ' ' VAL . 0.8 OUTLIER -160.07 111.27 1.94 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.854 0.359 . . . . 73.5 110.926 -179.828 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -108.76 119.08 38.5 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.092 -0.503 . . . . 72.430000000000007 110.918 179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . 0.414 HG23 ' HD1' ' F' ' 10' ' ' TYR . 39.1 t -138.53 136.66 43.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.137 -0.483 . . . . 51.119999999999997 111.156 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 32.5 m170 -132.26 113.16 12.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.219 -0.446 . . . . 62.350000000000001 110.872 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 7.5 m-70 -118.28 125.46 50.15 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.204 -0.453 . . . . 61.25 110.845 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . 0.56 ' HG3' HG12 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -130.71 134.78 47.2 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.236 -0.438 . . . . 71.319999999999993 110.944 -179.934 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . 0.486 ' C ' HD22 ' F' ' 17' ' ' LEU . 8.8 tttp -126.55 123.64 38.18 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 74.030000000000001 110.943 179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.661 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.5 mm? -122.61 102.74 8.24 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.259 -0.428 . . . . 72.349999999999994 110.996 179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.695 HG12 ' HB2' ' F' ' 21' ' ' ALA . 2.1 t -110.84 112.33 40.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.224 -0.444 . . . . 60.520000000000003 111.106 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.416 ' HD2' HD12 ' G' ' 34' ' ' LEU . 7.8 m-85 -102.05 137.46 40.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.175 -0.466 . . . . 75.209999999999994 110.916 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . 0.607 ' CE1' HG22 ' F' ' 31' ' ' ILE . 16.1 m-85 61.52 41.08 12.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.176 -0.466 . . . . 72.439999999999998 110.863 -179.912 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . 0.695 ' HB2' HG12 ' F' ' 18' ' ' VAL . . . -91.98 124.05 35.79 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.173 -0.467 . . . . 73.140000000000001 111.133 179.917 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 61.03 75.11 0.42 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.238 -0.437 . . . . 72.120000000000005 110.876 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.642 ' CG1' HG23 ' G' ' 24' ' ' VAL . 3.7 p -130.66 141.7 45.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.202 -0.454 . . . . 55.130000000000003 111.125 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.3 -47.49 87.5 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.764 -0.731 . . . . 74.120000000000005 112.481 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.75 141.12 0.1 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.862 0.363 . . . . 50.149999999999999 110.847 -179.75 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . 0.498 ' OD1' HG21 ' F' ' 31' ' ' ILE . 78.9 m-20 -99.78 104.83 16.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.157 -0.474 . . . . 65.420000000000002 110.886 179.972 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.49 162.05 16.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 51.329999999999998 110.899 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . 0.551 ' HA2' ' HB3' ' A' ' 3' ' ' GLU . . . 50.26 -134.66 28.27 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.776 -0.726 . . . . 72.329999999999998 112.479 179.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . . . . . . . . . . . -89.78 112.96 24.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.724 0.297 . . . . 54.439999999999998 111.145 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.607 HG22 ' CE1' ' F' ' 20' ' ' PHE . 0.4 OUTLIER -126.89 129.48 71.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.279 -0.418 . . . . 52.200000000000003 111.154 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 10.5 mt -135.91 116.2 17.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.179 -0.464 . . . . 54.130000000000003 111.204 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . 0.42 ' N ' ' CZ ' ' F' ' 20' ' ' PHE . . . -46.63 -55.24 8.24 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.741 -0.742 . . . . 74.530000000000001 112.465 179.974 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.835 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -160.15 152.91 21.27 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.835 0.35 . . . . 61.119999999999997 110.894 -179.918 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 5.5 mtp -131.66 128.2 38.56 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 71.150000000000006 110.88 179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 1.085 HG21 HG11 ' A' ' 36' ' ' VAL . 52.2 t -121.37 115.93 48.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.268 -0.424 . . . . 72.439999999999998 111.134 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.6 27.54 34.87 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.758 -0.734 . . . . 65.230000000000004 112.442 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.53 -177.79 16.89 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.724 -0.751 . . . . 70.409999999999997 112.451 -179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.571 ' O ' HG23 ' G' ' 39' ' ' VAL . 9.9 p -149.14 137.47 14.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.916 0.389 . . . . 53.240000000000002 111.089 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.486 ' C ' HG22 ' G' ' 40' ' ' VAL . 19.6 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 75.430000000000007 111.146 179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.231 0.114 0 CA-C-O 120.823 0.344 . . . . 73.140000000000001 110.833 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 2' ' ' ALA . . . . . 0.546 ' HB1' ' HG2' ' G' ' 5' ' ' ARG . . . -81.88 84.72 6.82 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 72.299999999999997 111.11 179.931 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 3' ' ' GLU . . . . . 0.429 ' HB2' ' O ' ' H' ' 3' ' ' GLU . 3.1 mm-40 -50.55 -32.27 18.02 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.24 -0.436 . . . . 60.210000000000001 110.85 -179.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -165.66 115.85 1.04 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.197 -0.456 . . . . 72.540000000000006 110.84 -179.896 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 5' ' ' ARG . . . . . 0.546 ' HG2' ' HB1' ' G' ' 2' ' ' ALA . 5.7 mmt85 -109.54 108.99 19.65 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.105 -0.498 . . . . 74.040000000000006 110.855 -179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 3.9 t60 -111.53 115.59 29.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.216 -0.447 . . . . 60.039999999999999 110.883 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -127.73 104.77 8.03 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.205 -0.452 . . . . 54.119999999999997 110.842 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . 0.487 ' O ' ' HA ' ' H' ' 8' ' ' SER . 79.5 p -146.72 126.06 13.11 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.162 -0.472 . . . . 74.150000000000006 110.897 -179.799 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.09 -20.1 26.26 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.725 -0.75 . . . . 42.299999999999997 112.524 -179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . 0.409 ' HD1' HG23 ' G' ' 12' ' ' VAL . 0.8 OUTLIER -161.31 107.85 1.41 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.822 0.344 . . . . 62.350000000000001 110.906 -179.807 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 6.6 tp10 -105.61 119.48 39.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 52.240000000000002 110.91 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . 0.409 HG23 ' HD1' ' G' ' 10' ' ' TYR . 41.1 t -137.17 136.39 47.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.137 -0.483 . . . . 72.340000000000003 111.148 179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -132.02 113.42 13.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 71.340000000000003 110.834 179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 7.7 m-70 -116.37 128.16 55.28 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 75.239999999999995 110.864 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . 0.574 ' HG3' HG12 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -130.82 134.77 47.12 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 74.150000000000006 110.912 -179.919 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . 0.561 ' O ' HD22 ' G' ' 17' ' ' LEU . 8.5 tttp -124.89 125.47 44.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 74.219999999999999 110.89 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.666 ' HB2' HD13 ' H' ' 17' ' ' LEU . 4.5 mm? -126.73 101.06 6.46 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.461 . . . . 64.329999999999998 110.895 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.815 HG12 ' HB2' ' G' ' 21' ' ' ALA . 1.5 t -109.17 114.23 46.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 75.150000000000006 111.149 179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.458 ' HE1' HD12 ' G' ' 17' ' ' LEU . 4.3 m-85 -107.29 133.59 51.62 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.23 -0.441 . . . . 75.239999999999995 110.859 -179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 0.587 ' CE1' HG22 ' G' ' 31' ' ' ILE . 18.1 m-85 62.38 39.39 12.17 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 62.229999999999997 110.86 -179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . 0.815 ' HB2' HG12 ' G' ' 18' ' ' VAL . . . -91.47 127.31 36.87 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 52.210000000000001 111.105 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 50.9 m-20 56.43 75.72 0.33 Allowed 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.221 -0.445 . . . . 71.349999999999994 110.859 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.691 HG11 HG23 ' H' ' 24' ' ' VAL . 8.4 p -128.73 140.05 50.25 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.164 -0.471 . . . . 54.520000000000003 111.13 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.87 -46.01 92.91 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.715 -0.755 . . . . 62.109999999999999 112.451 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.82 140.29 0.1 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.909 0.385 . . . . 71.150000000000006 110.886 -179.697 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . 0.462 ' OD1' HG21 ' G' ' 31' ' ' ILE . 83.0 m-20 -102.1 103.83 14.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 53.219999999999999 110.897 -179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.25 163.98 13.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.193 -0.458 . . . . 64.230000000000004 110.892 179.888 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . 0.513 ' HA2' ' HB3' ' B' ' 3' ' ' GLU . . . 49.99 -134.62 27.08 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.741 -0.743 . . . . 73.239999999999995 112.482 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.03 113.42 25.11 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.786 0.326 . . . . 74.420000000000002 111.109 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.587 HG22 ' CE1' ' G' ' 20' ' ' PHE . 0.5 OUTLIER -125.88 127.73 71.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.178 -0.464 . . . . 61.329999999999998 111.181 179.978 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 10.0 mt -134.03 116.72 23.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.193 -0.458 . . . . 71.120000000000005 111.123 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . 0.411 ' N ' ' CZ ' ' G' ' 20' ' ' PHE . . . -48.65 -57.24 8.64 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.731 -0.747 . . . . 53.25 112.471 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.848 HD22 ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -155.3 151.69 28.32 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.843 0.354 . . . . 73.319999999999993 110.87 -179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . . . . . . . . . 5.2 mtp -129.83 123.13 30.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 65.019999999999996 110.882 179.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 1.034 HG11 HG21 ' B' ' 36' ' ' VAL . 56.7 t -121.1 112.95 37.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 61.420000000000002 111.136 179.981 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 53.19 28.62 34.75 Favored Glycine 0 N--CA 1.452 -0.268 0 C-N-CA 120.743 -0.741 . . . . 64.019999999999996 112.477 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.6 -177.79 16.85 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.749 . . . . 72.430000000000007 112.519 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.574 HG12 ' HG3' ' B' ' 15' ' ' GLN . 7.3 p -149.81 134.84 10.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.867 0.365 . . . . 72.439999999999998 111.148 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.507 ' C ' HG22 ' H' ' 40' ' ' VAL . 19.2 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.166 -0.47 . . . . 75.010000000000005 111.143 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.056 0 CA-C-O 120.836 0.351 . . . . 73.239999999999995 110.815 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 2' ' ' ALA . . . . . 0.426 ' HB1' ' HG2' ' H' ' 5' ' ' ARG . . . -81.79 87.31 6.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 55.039999999999999 111.095 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 3' ' ' GLU . . . . . 0.429 ' O ' ' HB2' ' G' ' 3' ' ' GLU . 3.9 mm-40 -49.66 -33.98 17.14 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.188 -0.46 . . . . 74.209999999999994 110.945 -179.946 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -168.95 115.33 0.61 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.13 -0.486 . . . . 73.150000000000006 110.844 -179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 5' ' ' ARG . . . . . 0.426 ' HG2' ' HB1' ' H' ' 2' ' ' ALA . 5.8 mmt85 -107.68 109.58 21.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.108 -0.497 . . . . 73.209999999999994 110.861 -179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 3.7 t60 -111.3 113.58 26.16 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.21 -0.45 . . . . 72.219999999999999 110.847 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -125.15 103.74 8.14 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 72.510000000000005 110.868 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . 0.495 ' O ' ' HA ' ' I' ' 8' ' ' SER . 79.7 p -145.95 125.92 13.64 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 74.549999999999997 110.851 -179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -56.12 -20.24 27.07 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.715 -0.755 . . . . 72.409999999999997 112.499 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . 0.408 ' HD1' HG23 ' H' ' 12' ' ' VAL . 0.9 OUTLIER -162.07 107.65 1.26 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.831 0.348 . . . . 64.239999999999995 110.946 -179.848 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -105.43 119.71 39.78 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.098 -0.501 . . . . 62.149999999999999 110.89 -179.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . 0.408 HG23 ' HD1' ' H' ' 10' ' ' TYR . 40.7 t -136.83 136.42 47.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 70.319999999999993 111.148 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 32.9 m170 -131.76 113.27 13.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 61.310000000000002 110.886 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -115.16 128.99 56.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.204 -0.453 . . . . 64.25 110.862 179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . 0.529 ' HG3' HG12 ' C' ' 39' ' ' VAL . 0.0 OUTLIER -130.29 134.58 47.31 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.459 . . . . 72.430000000000007 110.919 -179.947 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . 0.633 ' O ' HD22 ' H' ' 17' ' ' LEU . 8.2 tttp -123.5 124.12 42.14 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.22 -0.446 . . . . 75.439999999999998 110.911 179.966 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.666 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.6 mm? -129.19 101.16 5.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 71.420000000000002 110.936 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.827 HG12 ' HB2' ' H' ' 21' ' ' ALA . 1.2 t -110.6 115.39 49.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.236 -0.438 . . . . 65.030000000000001 111.091 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.459 ' HE1' HD12 ' H' ' 17' ' ' LEU . 2.9 m-85 -107.9 133.11 52.71 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.171 -0.468 . . . . 60.140000000000001 110.914 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . 0.555 ' HE1' HG22 ' H' ' 31' ' ' ILE . 19.1 m-85 61.12 39.94 15.47 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.19 -0.459 . . . . 64.420000000000002 110.867 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . 0.827 ' HB2' HG12 ' H' ' 18' ' ' VAL . . . -91.02 128.53 36.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.187 -0.46 . . . . 43.530000000000001 111.091 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 52.8 75.65 0.23 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.179 -0.464 . . . . 75.030000000000001 110.84 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.702 HG11 HG23 ' I' ' 24' ' ' VAL . 9.5 p -125.04 138.77 53.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 62.539999999999999 111.108 179.984 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.09 -44.98 94.46 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.772 -0.728 . . . . 53.530000000000001 112.46 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.28 136.54 0.08 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.891 0.377 . . . . 74.140000000000001 110.815 -179.78 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -101.82 103.44 14.16 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.074 -0.512 . . . . 73.109999999999999 110.869 -179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -111.97 164.21 13.38 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 70.400000000000006 110.858 179.922 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . 0.41 ' HA2' ' HB3' ' C' ' 3' ' ' GLU . . . 50.92 -134.97 31.04 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.705 -0.759 . . . . 34.049999999999997 112.474 179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . . . . . . . . . . . -90.78 113.8 26.02 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.748 0.309 . . . . 72.530000000000001 111.074 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.555 HG22 ' HE1' ' H' ' 20' ' ' PHE . 0.5 OUTLIER -127.14 127.39 69.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 73.0 111.118 179.93 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . 0.41 HG21 ' HG3' ' H' ' 35' ' ' MET . 7.8 mt -131.83 117.37 33.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 72.219999999999999 111.162 179.834 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.57 -57.28 9.63 Favored Glycine 0 N--CA 1.452 -0.28 0 C-N-CA 120.71 -0.757 . . . . 64.439999999999998 112.449 179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.871 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -153.89 149.19 27.07 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.852 0.358 . . . . 70.329999999999998 110.863 -179.884 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . 0.41 ' HG3' HG21 ' H' ' 32' ' ' ILE . 6.1 mtp -128.42 122.59 31.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.15 -0.477 . . . . 51.130000000000003 110.897 179.824 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 1.001 HG11 HG21 ' C' ' 36' ' ' VAL . 60.0 t -122.51 112.12 33.02 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.267 -0.424 . . . . 73.420000000000002 111.124 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.21 29.99 30.76 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.741 -0.742 . . . . 75.319999999999993 112.472 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.33 -177.98 17.03 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.764 -0.731 . . . . 34.25 112.5 -179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.534 HG13 HG23 ' I' ' 39' ' ' VAL . 7.5 p -149.64 132.71 7.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.848 0.356 . . . . 64.319999999999993 111.153 179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . 0.523 ' C ' HG22 ' I' ' 40' ' ' VAL . 18.2 m . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.181 -0.463 . . . . 62.43 111.136 179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.773 0.321 . . . . 64.150000000000006 110.877 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 2' ' ' ALA . . . . . 0.412 ' HB1' ' HG2' ' I' ' 5' ' ' ARG . . . -83.42 92.0 7.47 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 30.32 111.082 179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 3' ' ' GLU . . . . . 0.419 ' O ' ' HB2' ' H' ' 3' ' ' GLU . 4.2 mm-40 -49.61 -35.89 22.42 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 75.340000000000003 110.903 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -169.38 116.27 0.6 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.127 -0.488 . . . . 71.420000000000002 110.849 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 5' ' ' ARG . . . . . 0.412 ' HG2' ' HB1' ' I' ' 2' ' ' ALA . 5.7 mmt85 -105.7 108.78 20.47 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.148 -0.478 . . . . 74.340000000000003 110.869 -179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 3.6 t60 -110.24 113.27 25.81 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.167 -0.47 . . . . 74.010000000000005 110.801 -179.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -124.95 103.85 8.26 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.217 -0.447 . . . . 64.25 110.873 179.958 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . 0.495 ' HA ' ' O ' ' H' ' 8' ' ' SER . 79.4 p -146.79 125.75 12.79 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.209 -0.451 . . . . 71.530000000000001 110.862 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -55.66 -20.83 26.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.783 -0.722 . . . . 51.409999999999997 112.507 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . 0.401 ' HD1' HG23 ' I' ' 12' ' ' VAL . 0.9 OUTLIER -162.12 108.47 1.29 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.846 0.355 . . . . 74.129999999999995 110.886 -179.844 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 -106.43 120.16 41.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.116 -0.493 . . . . 71.25 110.87 -179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . 0.401 HG23 ' HD1' ' I' ' 10' ' ' TYR . 41.1 t -137.13 136.28 47.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.115 -0.493 . . . . 71.049999999999997 111.098 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 33.4 m170 -130.97 113.4 13.94 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.149 -0.478 . . . . 71.129999999999995 110.859 179.919 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 7.6 m-70 -114.07 130.62 56.56 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.221 -0.445 . . . . 63.229999999999997 110.866 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . 0.449 ' HG3' HG12 ' D' ' 39' ' ' VAL . 0.0 OUTLIER -131.57 133.96 45.57 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 70.340000000000003 110.921 -179.908 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . 0.675 ' O ' HD22 ' I' ' 17' ' ' LEU . 8.3 tttp -122.0 121.54 37.26 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.163 -0.471 . . . . 74.319999999999993 110.894 179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.675 HD22 ' O ' ' I' ' 16' ' ' LYS . 4.6 mm? -130.24 101.06 5.62 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 71.409999999999997 110.969 179.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . 0.832 HG12 ' HB2' ' I' ' 21' ' ' ALA . 0.7 OUTLIER -111.33 116.82 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.204 -0.453 . . . . 74.209999999999994 111.093 179.867 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . 0.481 ' HD2' HD12 ' J' ' 34' ' ' LEU . 2.1 m-85 -107.96 133.24 52.57 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.189 -0.46 . . . . 73.319999999999993 110.882 179.991 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . 0.479 ' HE1' HG22 ' I' ' 31' ' ' ILE . 18.1 m-85 59.42 39.31 22.18 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.189 -0.459 . . . . 73.450000000000003 110.894 -179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . 0.832 ' HB2' HG12 ' I' ' 18' ' ' VAL . . . -90.74 128.37 36.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.486 . . . . 50.149999999999999 111.091 179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 50.4 m-20 51.62 73.62 0.3 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 74.310000000000002 110.863 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.702 HG23 HG11 ' H' ' 24' ' ' VAL . 8.7 p -119.89 135.92 58.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 73.340000000000003 111.118 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.76 -43.69 91.85 Favored Glycine 0 N--CA 1.45 -0.378 0 C-N-CA 120.749 -0.738 . . . . 63.420000000000002 112.472 179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 177.99 132.79 0.07 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.896 0.379 . . . . 72.219999999999999 110.849 -179.758 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 88.9 m-20 -101.39 102.41 13.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.127 -0.488 . . . . 71.409999999999997 110.916 -179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.63 164.73 12.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 73.319999999999993 110.877 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.71 -135.58 33.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.727 -0.749 . . . . 74.239999999999995 112.505 179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . . . . . . . . . . . -91.75 114.64 27.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.756 0.312 . . . . 64.549999999999997 111.145 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.479 HG22 ' HE1' ' I' ' 20' ' ' PHE . 0.5 OUTLIER -129.32 128.2 66.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.264 -0.426 . . . . 74.120000000000005 111.124 179.99 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . 0.478 HG21 ' HG3' ' I' ' 35' ' ' MET . 7.2 mt -130.42 117.41 39.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.196 -0.456 . . . . 71.420000000000002 111.111 179.858 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -49.77 -57.72 9.32 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.727 -0.749 . . . . 74.430000000000007 112.494 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.881 HD22 ' O ' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -152.58 146.3 25.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.797 0.332 . . . . 72.099999999999994 110.936 -179.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . 0.478 ' HG3' HG21 ' I' ' 32' ' ' ILE . 6.3 mtp -128.62 122.5 31.05 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.216 -0.447 . . . . 75.329999999999998 110.835 179.861 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 1.022 HG21 HG11 ' D' ' 36' ' ' VAL . 57.6 t -125.05 112.89 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.224 -0.444 . . . . 62.420000000000002 111.123 179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 52.36 29.71 31.19 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.701 -0.761 . . . . 60.43 112.513 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -118.41 -177.6 16.95 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.716 -0.754 . . . . 73.329999999999998 112.467 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 0.534 HG23 HG13 ' H' ' 39' ' ' VAL . 8.6 p -149.69 134.84 10.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.376 . . . . 74.349999999999994 111.18 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . 0.523 HG22 ' C ' ' H' ' 40' ' ' VAL . 18.0 m . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 53.210000000000001 111.11 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER . . . . . 0 C--O 1.23 0.055 0 CA-C-O 120.842 0.353 . . . . 53.130000000000003 110.868 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -82.08 93.64 7.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.163 -0.471 . . . . 71.439999999999998 111.08 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' J' J ' 3' ' ' GLU . . . . . 0.414 ' O ' ' HA2' ' E' ' 29' ' ' GLY . 3.7 mm-40 -49.5 -40.4 37.46 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.184 -0.462 . . . . 71.340000000000003 110.859 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 4' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -165.91 119.68 1.16 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.16 -0.473 . . . . 72.230000000000004 110.903 -179.942 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 5.8 mmt85 -100.53 108.07 19.92 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.16 -0.473 . . . . 73.0 110.903 -179.942 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 3.1 t60 -110.78 111.14 22.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.179 -0.464 . . . . 75.230000000000004 110.887 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t0 -123.15 103.29 8.46 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.207 -0.451 . . . . 60.130000000000003 110.841 -179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . 0.485 ' HA ' ' O ' ' I' ' 8' ' ' SER . 79.5 p -148.73 127.17 12.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.18 -0.464 . . . . 73.239999999999995 110.84 -179.765 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -57.56 -20.18 37.37 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.747 -0.739 . . . . 72.140000000000001 112.469 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 0.8 OUTLIER -162.9 108.42 1.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.864 0.364 . . . . 73.409999999999997 110.925 -179.797 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -107.58 119.89 40.69 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 70.230000000000004 110.941 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 38.6 t -137.32 136.71 46.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.193 -0.458 . . . . 61.109999999999999 111.082 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . 0.412 ' HB3' HG21 ' E' ' 39' ' ' VAL . 33.4 m170 -129.97 113.43 14.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.178 -0.465 . . . . 73.040000000000006 110.834 179.948 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 7.4 m-70 -112.71 131.31 55.72 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.163 -0.471 . . . . 72.200000000000003 110.842 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -132.51 137.52 47.21 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.237 -0.438 . . . . 64.420000000000002 110.893 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . 0.707 ' O ' HD22 ' J' ' 17' ' ' LEU . 7.7 tttp -123.29 119.82 31.26 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.157 -0.474 . . . . 74.439999999999998 110.901 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.707 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.5 mm? -131.62 100.46 5.13 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.199 -0.455 . . . . 72.140000000000001 110.875 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.786 HG12 ' HB2' ' J' ' 21' ' ' ALA . 0.2 OUTLIER -110.37 121.44 63.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 64.420000000000002 111.121 179.811 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.459 ' HE1' HD12 ' J' ' 17' ' ' LEU . 1.7 m-85 -111.3 132.26 54.52 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.156 -0.474 . . . . 75.400000000000006 110.909 179.965 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . 0.416 ' HE1' HG22 ' J' ' 31' ' ' ILE . 19.7 m-85 57.53 38.08 27.85 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.176 -0.466 . . . . 73.310000000000002 110.859 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . 0.786 ' HB2' HG12 ' J' ' 18' ' ' VAL . . . -90.75 129.86 36.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.089 -0.505 . . . . 51.329999999999998 111.136 179.894 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 48.8 m-20 50.82 74.52 0.23 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.214 -0.448 . . . . 62.229999999999997 110.901 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.681 HG23 HG11 ' I' ' 24' ' ' VAL . 7.7 p -119.11 135.03 60.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.254 -0.43 . . . . 64.340000000000003 111.076 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.52 -41.63 97.29 Favored Glycine 0 N--CA 1.452 -0.272 0 C-N-CA 120.715 -0.755 . . . . 74.200000000000003 112.513 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 178.59 127.13 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.864 0.364 . . . . 74.439999999999998 110.867 -179.706 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . 0.404 ' OD1' HG21 ' J' ' 24' ' ' VAL . 76.0 m-20 -101.38 99.93 10.34 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 72.420000000000002 110.882 -179.947 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -112.87 168.84 9.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 74.200000000000003 110.903 179.879 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.19 -135.66 35.74 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.786 -0.721 . . . . 60.420000000000002 112.436 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 0.425 ' HB2' ' CD1' ' E' ' 4' ' ' PHE . . . -94.12 114.1 26.18 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.764 0.316 . . . . 72.099999999999994 111.09 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.416 HG22 ' HE1' ' J' ' 20' ' ' PHE . 0.6 OUTLIER -128.26 127.37 67.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.202 -0.454 . . . . 73.450000000000003 111.078 -179.996 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . 0.532 HG21 ' HG3' ' J' ' 35' ' ' MET . 7.3 mt -126.18 115.2 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.167 -0.47 . . . . 73.019999999999996 111.099 179.881 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . 0.489 ' C ' HD13 ' J' ' 34' ' ' LEU . . . -49.49 -55.61 12.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.688 -0.768 . . . . 74.230000000000004 112.542 179.934 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.823 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -152.85 149.25 28.1 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.824 0.345 . . . . 72.450000000000003 110.888 -179.942 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . 0.532 ' HG3' HG21 ' J' ' 32' ' ' ILE . 7.4 mtp -132.29 121.49 23.66 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 75.340000000000003 110.849 179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.997 HG11 HG21 ' E' ' 36' ' ' VAL . 57.8 t -128.92 110.99 21.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 63.119999999999997 111.13 179.919 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 51.62 29.39 24.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.766 -0.731 . . . . 61.329999999999998 112.452 179.985 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -117.98 -177.0 17.17 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.772 -0.728 . . . . 51.020000000000003 112.451 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.505 HG21 ' HB3' ' E' ' 13' ' ' HIS . 9.2 p -149.01 136.33 13.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-O 120.894 0.378 . . . . 64.430000000000007 111.119 179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.504 HG22 ' C ' ' I' ' 40' ' ' VAL . 18.5 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.157 -0.474 . . . . 64.140000000000001 111.128 179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 . . . . . 0 C--O 1.23 0.064 0 CA-C-O 120.791 0.329 . . . . 74.409999999999997 110.869 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.41 72.33 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 62.509999999999998 111.071 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -52.0 -32.14 32.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.247 -0.433 . . . . 75.5 110.824 -179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.614 ' CE2' ' HB2' ' F' ' 30' ' ' ALA . 0.2 OUTLIER -158.59 113.0 2.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 64.420000000000002 110.891 -179.894 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.42 107.28 6.27 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.151 -0.477 . . . . 75.109999999999999 110.925 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 70.1 t60 -108.02 123.93 49.4 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 75.430000000000007 110.841 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -126.16 100.47 6.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.159 -0.473 . . . . 54.25 110.902 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 16.2 t -149.33 176.36 10.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 60.140000000000001 110.876 -179.742 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.4 -12.24 29.36 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.729 -0.748 . . . . 72.150000000000006 112.464 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.38 113.04 0.28 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 120.851 0.358 . . . . 72.319999999999993 110.939 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 4.1 tt0 -106.49 124.82 50.18 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.13 -0.486 . . . . 73.340000000000003 110.883 -179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -136.78 113.94 13.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.143 -0.481 . . . . 72.140000000000001 111.116 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -121.82 117.08 25.67 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.181 -0.463 . . . . 73.329999999999998 110.887 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -126.25 129.91 49.87 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 53.329999999999998 110.815 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 11.7 mm100 -132.36 135.14 45.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.206 -0.452 . . . . 72.099999999999994 110.912 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 7.2 tttp -124.38 125.76 44.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.222 -0.444 . . . . 65.329999999999998 110.855 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.604 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.4 mm? -120.59 101.73 7.94 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.221 -0.445 . . . . 53.43 110.906 179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.549 HG12 ' HB2' ' A' ' 21' ' ' ALA . 2.1 t -112.46 115.61 50.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.217 -0.447 . . . . 63.539999999999999 111.098 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.539 ' HE1' HD12 ' A' ' 17' ' ' LEU . 5.0 m-85 -103.91 142.13 34.95 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 73.329999999999998 110.915 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.644 ' HE1' HG22 ' A' ' 31' ' ' ILE . 24.2 m-85 62.97 33.84 14.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.142 -0.481 . . . . 74.5 110.942 -179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.549 ' HB2' HG12 ' A' ' 18' ' ' VAL . . . -89.47 134.24 34.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.072 -0.513 . . . . 63.200000000000003 111.121 179.937 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 61.83 76.7 0.36 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 73.120000000000005 110.877 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . . . . . . . . . 10.2 p -146.1 145.02 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.187 -0.46 . . . . 71.310000000000002 111.115 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -61.19 -46.24 94.89 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.749 -0.738 . . . . 61.509999999999998 112.503 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.5 152.18 0.81 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.877 0.37 . . . . 62.149999999999999 110.905 -179.773 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.79 99.73 9.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.474 . . . . 74.450000000000003 110.928 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.93 151.68 38.56 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 65.450000000000003 110.936 179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 66.55 -125.55 26.26 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.808 -0.71 . . . . 53.140000000000001 112.474 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.643 ' HB2' ' CE2' ' F' ' 4' ' ' PHE . . . -102.81 113.75 27.44 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.756 0.312 . . . . 74.329999999999998 111.139 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.928 HD13 HG23 ' B' ' 31' ' ' ILE . 0.1 OUTLIER -132.67 125.75 53.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.229 -0.441 . . . . 74.140000000000001 111.145 -179.978 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 10.0 mt -130.91 119.96 46.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 71.109999999999999 111.126 179.862 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.99 -57.12 15.65 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.722 -0.751 . . . . 73.349999999999994 112.475 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.874 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -156.29 149.37 24.24 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.806 0.336 . . . . 74.349999999999994 110.913 -179.895 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -125.93 129.4 49.21 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 71.439999999999998 110.86 179.819 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.803 HG21 HG11 ' F' ' 36' ' ' VAL . 11.0 t -118.43 110.17 29.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.225 -0.443 . . . . 73.409999999999997 111.084 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 80.65 -55.07 4.69 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.733 -0.746 . . . . 45.329999999999998 112.491 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -73.55 162.21 54.43 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.776 -0.726 . . . . 53.200000000000003 112.473 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.815 ' C ' HG21 ' B' ' 39' ' ' VAL . 7.6 p -156.51 143.69 10.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.842 0.353 . . . . 74.319999999999993 111.1 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . . . . . . . . . 13.6 m . . . . . 0 C--N 1.329 -0.315 0 CA-C-N 116.143 -0.48 . . . . 71.019999999999996 111.135 179.901 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 . . . . . 0 C--O 1.23 0.029 0 CA-C-O 120.825 0.345 . . . . 74.540000000000006 110.895 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . 0.427 ' HA ' ' HB3' ' C' ' 2' ' ' ALA . . . -114.83 72.67 0.8 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 54.450000000000003 111.078 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -49.79 -30.52 9.78 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.444 . . . . 65.319999999999993 110.891 -179.945 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.616 ' CE2' ' HB2' ' G' ' 30' ' ' ALA . 0.2 OUTLIER -158.45 111.91 2.41 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 74.010000000000005 110.924 -179.951 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.97 106.88 7.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.183 -0.462 . . . . 74.010000000000005 110.902 -179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -108.18 124.36 50.14 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 74.319999999999993 110.858 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -128.94 99.83 5.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.214 -0.448 . . . . 65.140000000000001 110.909 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . . . . . . . . . 16.2 t -147.34 175.88 10.44 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.203 -0.453 . . . . 70.25 110.876 -179.761 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.21 -12.48 31.25 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.741 . . . . 63.229999999999997 112.459 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.65 111.77 0.24 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.87 0.366 . . . . 64.549999999999997 110.943 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -104.92 124.17 49.02 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.097 -0.501 . . . . 74.129999999999995 110.907 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 t -134.47 114.07 17.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 72.450000000000003 111.17 179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 59.2 m170 -120.97 119.59 32.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.173 -0.467 . . . . 62.329999999999998 110.868 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -125.82 132.79 52.17 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.219 -0.446 . . . . 73.25 110.842 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -130.84 133.03 45.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 65.519999999999996 110.911 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.561 ' O ' HD22 ' B' ' 17' ' ' LEU . 5.5 tttp -122.78 126.49 47.56 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.194 -0.457 . . . . 74.530000000000001 110.918 179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.604 HD13 ' HB2' ' A' ' 17' ' ' LEU . 4.6 mm? -127.83 100.57 5.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.247 -0.433 . . . . 74.239999999999995 110.865 179.952 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.762 HG12 ' HB2' ' B' ' 21' ' ' ALA . 1.9 t -112.64 118.83 58.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 62.32 111.141 179.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.472 ' HE1' HD12 ' B' ' 17' ' ' LEU . 2.1 m-85 -108.96 138.01 45.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.175 -0.466 . . . . 75.549999999999997 110.897 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.634 ' HE1' HG22 ' B' ' 31' ' ' ILE . 27.8 m-85 63.85 30.58 14.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.2 -0.455 . . . . 75.5 110.898 -179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.762 ' HB2' HG12 ' B' ' 18' ' ' VAL . . . -88.66 133.32 34.24 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.159 -0.473 . . . . 71.310000000000002 111.073 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.97 76.41 0.37 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.223 -0.444 . . . . 61.219999999999999 110.813 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.41 ' CG1' HG23 ' C' ' 24' ' ' VAL . 11.5 p -145.82 143.85 21.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.205 -0.452 . . . . 75.230000000000004 111.095 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.5 -45.5 95.45 Favored Glycine 0 N--CA 1.45 -0.392 0 C-N-CA 120.783 -0.722 . . . . 55.520000000000003 112.496 179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.82 151.51 0.55 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.872 0.367 . . . . 73.349999999999994 110.855 -179.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.79 100.21 9.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.163 -0.471 . . . . 75.25 110.86 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.77 151.73 38.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 63.409999999999997 110.909 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.22 -125.38 24.19 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.784 -0.722 . . . . 44.420000000000002 112.455 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.679 ' O ' HD12 ' A' ' 31' ' ' ILE . . . -102.94 113.12 26.32 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.742 0.305 . . . . 61.210000000000001 111.099 179.999 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.928 HG23 HD13 ' A' ' 31' ' ' ILE . 0.1 OUTLIER -132.26 123.47 50.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.218 -0.446 . . . . 52.43 111.13 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 mt -129.74 119.96 48.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.169 -0.469 . . . . 72.030000000000001 111.138 179.866 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.03 -59.11 9.18 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.776 -0.726 . . . . 54.340000000000003 112.491 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.903 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -153.06 147.52 25.96 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.829 0.347 . . . . 72.140000000000001 110.955 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.528 ' CE ' HG23 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -127.03 123.22 36.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.217 -0.447 . . . . 63.130000000000003 110.856 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.896 HG21 HG11 ' G' ' 36' ' ' VAL . 6.7 t -117.9 111.66 35.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.223 -0.444 . . . . 74.519999999999996 111.091 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.4 -58.94 4.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.788 -0.72 . . . . 72.219999999999999 112.486 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.7 157.23 45.41 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 70.430000000000007 112.523 -179.96 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.825 ' C ' HG21 ' C' ' 39' ' ' VAL . 8.5 p -158.09 144.99 8.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.903 0.383 . . . . 70.25 111.138 -179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.531 ' N ' HG21 ' C' ' 39' ' ' VAL . 13.2 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 73.140000000000001 111.113 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 16.0 m-20 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.853 0.359 . . . . 75.299999999999997 110.837 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . 0.427 ' HB3' ' HA ' ' B' ' 2' ' ' ALA . . . -114.64 72.32 0.78 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.447 . . . . 64.549999999999997 111.129 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . 0.401 ' HG2' ' HA3' ' I' ' 29' ' ' GLY . 1.7 mp0 -50.31 -30.66 12.5 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 61.439999999999998 110.871 -179.914 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . 0.606 ' CE2' ' HB2' ' H' ' 30' ' ' ALA . 0.2 OUTLIER -158.42 112.21 2.45 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.142 -0.481 . . . . 73.239999999999995 110.837 -179.909 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.93 106.98 8.4 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 65.310000000000002 110.882 -179.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -109.11 122.97 48.41 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 63.119999999999997 110.872 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -128.71 100.13 5.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 74.299999999999997 110.9 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . . . . . . . . . 16.4 t -147.41 175.62 10.66 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.234 -0.439 . . . . 60.399999999999999 110.836 -179.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.52 -12.07 31.67 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.764 -0.731 . . . . 73.349999999999994 112.524 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.58 111.4 0.24 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.855 0.36 . . . . 74.420000000000002 110.937 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 -105.47 123.81 48.5 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 65.310000000000002 110.867 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 t -133.19 113.91 20.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 73.340000000000003 111.108 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 58.6 m170 -120.85 118.03 28.91 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 71.209999999999994 110.872 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -124.27 134.04 53.33 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.212 -0.449 . . . . 62.140000000000001 110.852 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 14.3 mm100 -130.21 132.97 46.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 73.129999999999995 110.906 -179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.659 ' O ' HD22 ' C' ' 17' ' ' LEU . 5.6 tttp -121.57 125.16 46.1 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.195 -0.457 . . . . 74.329999999999998 110.945 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.659 HD22 ' O ' ' C' ' 16' ' ' LYS . 4.6 mm? -130.51 100.47 5.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.211 -0.45 . . . . 65.200000000000003 110.885 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.773 HG12 ' HB2' ' C' ' 21' ' ' ALA . 1.4 t -113.8 119.76 61.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 74.219999999999999 111.088 179.882 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.449 ' HE1' HD12 ' C' ' 17' ' ' LEU . 1.4 m-85 -109.97 137.17 48.11 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.164 -0.471 . . . . 72.030000000000001 110.904 179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.593 ' HE1' HG22 ' C' ' 31' ' ' ILE . 25.2 m-85 63.16 29.96 16.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.174 -0.466 . . . . 65.129999999999995 110.887 -179.919 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.773 ' HB2' HG12 ' C' ' 18' ' ' VAL . . . -88.94 135.27 33.63 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.106 -0.497 . . . . 75.200000000000003 111.057 179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 58.54 77.04 0.31 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.468 . . . . 73.439999999999998 110.895 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.468 ' CG1' HG23 ' D' ' 24' ' ' VAL . 11.8 p -144.93 143.18 22.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 45.229999999999997 111.141 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.9 -45.59 94.85 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.751 -0.737 . . . . 63.039999999999999 112.509 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.96 150.21 0.47 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.907 0.384 . . . . 63.43 110.826 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.43 99.94 9.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.118 -0.492 . . . . 71.430000000000007 110.885 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -119.4 152.25 37.14 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 65.239999999999995 110.889 179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.45 -125.68 23.94 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.779 -0.724 . . . . 53.210000000000001 112.494 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.713 ' O ' HD12 ' B' ' 31' ' ' ILE . . . -103.41 113.12 26.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.694 0.283 . . . . 72.450000000000003 111.114 179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.901 HG23 HD13 ' B' ' 31' ' ' ILE . 0.1 OUTLIER -132.3 123.32 50.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.271 -0.422 . . . . 71.129999999999995 111.155 179.962 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 6.5 mt -129.09 119.67 49.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.205 -0.452 . . . . 75.530000000000001 111.115 179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.9 -59.55 8.57 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.74 -0.743 . . . . 75.329999999999998 112.518 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.918 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -152.61 146.17 24.98 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.821 0.343 . . . . 62.43 110.876 -179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.731 ' CE ' HG23 ' C' ' 39' ' ' VAL . 0.0 OUTLIER -127.74 122.36 32.65 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.17 -0.468 . . . . 52.109999999999999 110.924 179.836 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.928 HG11 HG21 ' H' ' 36' ' ' VAL . 5.7 t -118.93 110.43 29.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.261 -0.427 . . . . 72.150000000000006 111.14 179.995 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.84 -58.26 3.88 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.757 -0.735 . . . . 70.430000000000007 112.509 -179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.24 158.61 46.07 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.743 -0.742 . . . . 45.329999999999998 112.535 -179.908 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.825 HG21 ' C ' ' B' ' 39' ' ' VAL . 7.7 p -163.36 149.33 3.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-O 120.9 0.381 . . . . 65.230000000000004 111.097 -179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.613 ' N ' HG21 ' D' ' 39' ' ' VAL . 9.7 m . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 63.119999999999997 111.113 179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.848 0.356 . . . . 75.200000000000003 110.904 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.48 72.42 0.8 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 52.43 111.061 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . 0.407 ' HG2' ' HA3' ' J' ' 29' ' ' GLY . 1.7 mp0 -51.02 -30.12 14.44 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.236 -0.438 . . . . 73.409999999999997 110.915 -179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . 0.591 ' CE2' ' HB2' ' I' ' 30' ' ' ALA . 0.2 OUTLIER -158.9 112.28 2.33 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.111 -0.495 . . . . 75.299999999999997 110.866 -179.901 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.48 107.37 9.17 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 64.25 110.914 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -109.21 121.29 44.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.178 -0.465 . . . . 72.549999999999997 110.882 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -127.92 100.25 5.84 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.233 -0.44 . . . . 74.409999999999997 110.892 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . . . . . . . . . 15.9 t -147.5 175.3 10.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.246 -0.434 . . . . 52.25 110.844 -179.711 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.09 -11.51 31.81 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.741 -0.742 . . . . 60.210000000000001 112.507 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.32 111.49 0.26 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.852 0.358 . . . . 74.519999999999996 110.928 -179.784 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -105.39 124.69 49.97 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.094 -0.503 . . . . 74.450000000000003 110.841 -179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -132.87 114.12 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.143 -0.48 . . . . 71.340000000000003 111.089 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -121.65 118.0 28.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.181 -0.463 . . . . 75.239999999999995 110.851 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -124.84 135.41 52.89 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.219 -0.446 . . . . 72.510000000000005 110.854 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 14.2 mm100 -130.42 133.04 46.04 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 55.450000000000003 110.845 -179.897 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.683 ' O ' HD22 ' D' ' 17' ' ' LEU . 5.4 tttp -120.72 121.71 38.83 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 75.140000000000001 110.896 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.683 HD22 ' O ' ' D' ' 16' ' ' LYS . 4.5 mm? -131.0 99.81 5.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.231 -0.44 . . . . 72.140000000000001 110.921 179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.775 HG12 ' HB2' ' D' ' 21' ' ' ALA . 0.7 OUTLIER -113.67 121.67 66.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 74.219999999999999 111.147 179.859 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.451 ' N ' ' CD1' ' D' ' 19' ' ' PHE . 1.0 OUTLIER -111.64 137.73 49.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 71.120000000000005 110.87 -179.965 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.569 ' HE1' HG22 ' D' ' 31' ' ' ILE . 20.3 m-85 61.45 28.52 17.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.111 -0.495 . . . . 71.0 110.897 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . 0.775 ' HB2' HG12 ' D' ' 18' ' ' VAL . . . -89.63 136.83 32.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.16 -0.473 . . . . 63.340000000000003 111.076 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 56.56 78.16 0.22 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.199 -0.455 . . . . 74.430000000000007 110.908 -179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.47 ' CG1' HG23 ' E' ' 24' ' ' VAL . 11.4 p -145.6 141.74 22.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.156 -0.475 . . . . 72.540000000000006 111.08 -179.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.09 -44.62 94.63 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.758 -0.734 . . . . 64.019999999999996 112.485 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.6 148.46 0.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.898 0.38 . . . . 52.5 110.858 -179.75 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -104.22 99.43 9.15 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.145 -0.48 . . . . 60.539999999999999 110.875 -179.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -120.28 153.12 36.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 72.230000000000004 110.918 179.879 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.23 -126.53 22.92 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.67 -0.776 . . . . 42.329999999999998 112.501 179.953 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.715 ' O ' HD12 ' C' ' 31' ' ' ILE . . . -103.65 112.83 25.94 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.765 0.317 . . . . 72.319999999999993 111.135 179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.655 HG23 HD13 ' C' ' 31' ' ' ILE . 0.2 OUTLIER -133.97 123.29 44.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.44 . . . . 72.420000000000002 111.12 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.442 HD13 ' SD ' ' D' ' 35' ' ' MET . 6.6 mt -128.11 119.77 51.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 62.210000000000001 111.146 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.0 -61.46 6.14 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.722 -0.751 . . . . 64.040000000000006 112.483 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.917 HD22 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -151.31 144.22 24.51 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.778 0.323 . . . . 63.340000000000003 110.948 -179.903 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.758 ' CE ' HG23 ' D' ' 39' ' ' VAL . 0.0 OUTLIER -128.94 123.37 32.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.439 . . . . 75.200000000000003 110.839 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.945 HG11 HG21 ' I' ' 36' ' ' VAL . 6.7 t -121.78 109.14 23.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 65.319999999999993 111.143 179.956 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.9 -59.16 3.49 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.758 -0.734 . . . . 72.329999999999998 112.461 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -77.55 159.59 48.39 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.758 -0.734 . . . . 70.530000000000001 112.492 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.788 HG21 ' C ' ' C' ' 39' ' ' VAL . 8.7 p -165.86 153.62 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.878 0.37 . . . . 74.420000000000002 111.099 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.567 ' N ' HG21 ' E' ' 39' ' ' VAL . 9.0 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 75.040000000000006 111.167 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 . . . . . 0 C--O 1.23 0.054 0 CA-C-O 120.815 0.341 . . . . 74.120000000000005 110.849 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -115.65 72.35 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.175 -0.466 . . . . 62.420000000000002 111.146 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -51.32 -29.75 16.1 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.16 -0.473 . . . . 43.420000000000002 110.864 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . 0.531 ' CE2' ' HB2' ' J' ' 30' ' ' ALA . 0.3 OUTLIER -158.81 114.34 2.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.173 -0.467 . . . . 55.049999999999997 110.898 -179.93 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.17 107.52 9.37 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.117 -0.492 . . . . 72.400000000000006 110.848 -179.883 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 65.9 t60 -109.36 120.54 42.83 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.204 -0.453 . . . . 72.0 110.863 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -128.44 99.95 5.6 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 73.310000000000002 110.816 -179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 16.3 t -148.49 172.71 14.04 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.214 -0.448 . . . . 73.099999999999994 110.823 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.09 -11.77 35.92 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.763 -0.732 . . . . 75.219999999999999 112.481 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.38 110.43 0.24 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.87 0.367 . . . . 75.329999999999998 110.931 -179.788 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -105.24 125.95 51.55 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.126 -0.488 . . . . 52.130000000000003 110.917 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 t -132.33 118.04 34.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 61.539999999999999 111.08 -179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 63.9 m170 -120.39 118.85 31.42 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.177 -0.465 . . . . 73.540000000000006 110.882 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -122.46 135.71 54.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 72.439999999999998 110.868 179.995 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 13.6 mm100 -133.69 134.61 43.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 74.310000000000002 110.906 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . 0.711 ' O ' HD22 ' E' ' 17' ' ' LEU . 4.7 tttp -122.77 120.5 33.78 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.2 -0.454 . . . . 70.329999999999998 110.887 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.711 HD22 ' O ' ' E' ' 16' ' ' LYS . 4.3 mm? -133.09 99.88 4.7 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 61.450000000000003 110.885 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.732 HG12 ' HB2' ' E' ' 21' ' ' ALA . 0.2 OUTLIER -112.96 124.3 69.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 70.209999999999994 111.07 179.847 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.466 ' HE1' HD12 ' E' ' 17' ' ' LEU . 0.8 OUTLIER -114.92 136.5 53.04 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.475 . . . . 63.310000000000002 110.884 179.997 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.489 ' HE1' HG22 ' E' ' 31' ' ' ILE . 21.7 m-85 58.88 28.21 17.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.151 -0.477 . . . . 55.329999999999998 110.862 -179.925 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . 0.732 ' HB2' HG12 ' E' ' 18' ' ' VAL . . . -92.17 138.77 31.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.166 -0.47 . . . . 72.5 111.058 179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 55.33 78.4 0.19 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 62.340000000000003 110.842 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.47 HG23 ' CG1' ' D' ' 24' ' ' VAL . 11.4 p -145.82 139.63 21.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.212 -0.449 . . . . 73.129999999999995 111.115 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.9 -43.9 92.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.718 -0.754 . . . . 74.120000000000005 112.505 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . 0.401 ' H ' HG22 ' E' ' 24' ' ' VAL . 0.6 OUTLIER -179.89 145.86 0.23 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.88 0.371 . . . . 62.409999999999997 110.887 -179.744 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.68 99.04 8.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.131 -0.486 . . . . 74.109999999999999 110.872 -179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . 0.465 ' C ' HD11 ' E' ' 31' ' ' ILE . 0.4 OUTLIER -121.44 154.05 37.08 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 74.5 110.898 179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.79 -127.51 22.55 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.714 -0.755 . . . . 51.299999999999997 112.509 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.596 ' O ' HD12 ' D' ' 31' ' ' ILE . . . -104.0 112.63 25.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.758 0.313 . . . . 60.149999999999999 111.067 -179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.489 HG22 ' HE1' ' E' ' 20' ' ' PHE . 0.4 OUTLIER -135.32 124.14 40.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.233 -0.439 . . . . 75.439999999999998 111.144 -179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.474 HD13 ' SD ' ' E' ' 35' ' ' MET . 7.7 mt -126.57 120.02 55.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.254 -0.43 . . . . 72.439999999999998 111.143 179.832 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.26 -59.39 8.99 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 25.239999999999998 112.518 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.842 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -151.67 146.45 25.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.817 0.342 . . . . 73.140000000000001 110.901 -179.928 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.624 ' CE ' HG23 ' E' ' 39' ' ' VAL . 0.2 OUTLIER -137.12 122.7 19.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 70.219999999999999 110.846 179.861 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.894 HG11 HG21 ' J' ' 36' ' ' VAL . 16.1 t -125.68 108.27 19.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.213 -0.448 . . . . 73.209999999999994 111.164 179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 75.84 -59.24 3.03 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.779 -0.724 . . . . 75.340000000000003 112.489 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.71 160.24 46.86 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.782 -0.723 . . . . 73.099999999999994 112.462 -179.909 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.72 HG11 ' O ' ' D' ' 39' ' ' VAL . 12.6 p -165.82 151.96 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.819 0.342 . . . . 71.519999999999996 111.149 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 14.0 m . . . . . 0 C--N 1.329 -0.285 0 CA-C-N 116.14 -0.482 . . . . 75.519999999999996 111.1 179.955 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.813 0.339 . . . . 62.210000000000001 110.841 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -114.64 72.91 0.8 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 74.409999999999997 111.108 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.4 mp0 -51.85 -32.3 31.44 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.194 -0.457 . . . . 74.219999999999999 110.919 -179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . 0.643 ' CE2' ' HB2' ' A' ' 30' ' ' ALA . 0.2 OUTLIER -157.74 114.12 2.87 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.123 -0.49 . . . . 74.349999999999994 110.837 -179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.6 107.52 6.31 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.477 . . . . 74.510000000000005 110.878 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -107.35 123.13 47.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 70.409999999999997 110.872 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -124.63 100.97 6.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.181 -0.463 . . . . 62.420000000000002 110.872 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 16.8 t -150.16 176.33 10.94 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.221 -0.445 . . . . 74.140000000000001 110.854 -179.726 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.61 -12.22 27.01 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.754 -0.736 . . . . 73.140000000000001 112.481 -179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -172.43 111.8 0.26 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.88 0.371 . . . . 73.540000000000006 110.89 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 3.9 tt0 -106.07 123.8 48.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.502 . . . . 62.020000000000003 110.902 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 21.8 t -137.89 112.9 9.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.165 -0.47 . . . . 53.409999999999997 111.117 179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 64.9 m170 -121.72 120.36 34.45 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 73.450000000000003 110.84 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -126.2 129.35 48.81 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 63.310000000000002 110.861 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -130.59 134.56 47.1 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 64.400000000000006 110.903 -179.93 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 7.3 tttp -124.38 124.97 43.51 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.197 -0.456 . . . . 71.239999999999995 110.885 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.596 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.3 mm? -119.8 101.61 8.01 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.246 -0.433 . . . . 74.420000000000002 110.935 179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.54 HG12 ' HB2' ' F' ' 21' ' ' ALA . 2.1 t -112.42 115.49 49.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 72.549999999999997 111.112 179.833 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.534 ' HE1' HD12 ' F' ' 17' ' ' LEU . 5.1 m-85 -103.12 142.13 34.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.113 -0.494 . . . . 73.040000000000006 110.897 -179.985 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . 0.67 ' HE1' HG22 ' F' ' 31' ' ' ILE . 23.9 m-85 63.09 33.73 14.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 74.420000000000002 110.909 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . 0.54 ' HB2' HG12 ' F' ' 18' ' ' VAL . . . -89.33 135.11 33.77 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.471 . . . . 73.409999999999997 111.066 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 62.05 76.34 0.37 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 61.210000000000001 110.913 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . . . . . . . . . 11.6 p -146.43 144.23 20.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.17 -0.468 . . . . 72.510000000000005 111.138 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -60.82 -45.96 95.45 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.756 -0.735 . . . . 63.240000000000002 112.49 179.975 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -177.17 151.28 0.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.874 0.368 . . . . 70.230000000000004 110.911 -179.754 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.46 99.2 9.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.124 -0.489 . . . . 42.329999999999998 110.914 -179.978 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -120.12 151.51 38.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 74.219999999999999 110.863 179.926 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.35 -126.77 25.82 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.75 -0.738 . . . . 71.439999999999998 112.542 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.614 ' HB2' ' CE2' ' A' ' 4' ' ' PHE . . . -102.54 114.04 27.91 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.767 0.318 . . . . 64.439999999999998 111.09 179.946 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.925 HD13 HG23 ' G' ' 31' ' ' ILE . 0.1 OUTLIER -132.48 126.36 55.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 41.149999999999999 111.157 179.924 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 10.8 mt -130.3 119.34 46.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.153 -0.476 . . . . 71.329999999999998 111.128 179.873 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . 0.403 ' N ' ' CZ ' ' F' ' 20' ' ' PHE . . . -52.8 -58.33 11.76 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.747 -0.739 . . . . 61.299999999999997 112.496 179.897 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.86 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -155.81 149.22 24.8 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.841 0.353 . . . . 62.530000000000001 110.902 -179.883 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -125.36 128.16 47.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.169 -0.469 . . . . 73.310000000000002 110.893 179.812 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.803 HG11 HG21 ' A' ' 36' ' ' VAL . 15.5 t -117.94 110.36 30.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.276 -0.42 . . . . 72.519999999999996 111.158 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.67 -55.73 4.47 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.758 -0.734 . . . . 54.219999999999999 112.542 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -75.39 157.69 49.83 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.713 -0.756 . . . . 55.549999999999997 112.525 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.807 ' C ' HG21 ' G' ' 39' ' ' VAL . 11.1 p -156.8 141.78 8.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-O 120.834 0.35 . . . . 71.230000000000004 111.115 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.425 ' N ' HG21 ' G' ' 39' ' ' VAL . 11.0 m . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 70.519999999999996 111.074 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 15.9 m-20 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.826 0.345 . . . . 74.540000000000006 110.866 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' G' G ' 2' ' ' ALA . . . . . 0.417 ' HA ' ' HB3' ' H' ' 2' ' ' ALA . . . -114.33 73.2 0.81 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.235 -0.438 . . . . 73.230000000000004 111.133 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -50.64 -30.79 14.33 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.208 -0.451 . . . . 75.25 110.859 -179.888 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 4' ' ' PHE . . . . . 0.63 ' CE2' ' HB2' ' B' ' 30' ' ' ALA . 0.2 OUTLIER -157.67 112.7 2.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.14 -0.482 . . . . 54.340000000000003 110.924 -179.926 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -132.92 106.85 7.94 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.171 -0.468 . . . . 74.209999999999994 110.864 -179.847 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 70.2 t60 -107.77 122.95 47.8 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 70.109999999999999 110.811 -179.981 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -127.26 99.96 5.87 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 73.140000000000001 110.874 179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' H' ' 8' ' ' SER . 16.6 t -147.92 176.08 10.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.212 -0.449 . . . . 74.510000000000005 110.852 -179.797 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.6 -13.16 28.75 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.71 -0.757 . . . . 52.329999999999998 112.492 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.9 111.29 0.22 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.884 0.373 . . . . 74.129999999999995 110.9 -179.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 -105.18 124.19 49.11 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.11 -0.495 . . . . 72.120000000000005 110.89 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 21.6 t -135.28 113.43 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.13 -0.486 . . . . 64.310000000000002 111.118 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 65.5 m170 -120.24 120.27 35.61 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.117 -0.492 . . . . 73.109999999999999 110.876 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 10.9 m-70 -123.78 132.88 53.88 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 74.099999999999994 110.882 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -129.94 132.82 46.48 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.218 -0.446 . . . . 60.409999999999997 110.906 -179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . 0.573 ' O ' HD22 ' G' ' 17' ' ' LEU . 5.4 tttp -123.28 126.3 46.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.182 -0.463 . . . . 73.439999999999998 110.937 179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.596 HD13 ' HB2' ' F' ' 17' ' ' LEU . 4.5 mm? -127.94 100.55 5.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.248 -0.433 . . . . 70.329999999999998 110.924 179.941 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.782 HG12 ' HB2' ' G' ' 21' ' ' ALA . 1.9 t -112.73 118.87 59.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 74.239999999999995 111.102 179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.477 ' HE1' HD12 ' G' ' 17' ' ' LEU . 2.1 m-85 -108.73 137.82 46.06 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.107 -0.497 . . . . 74.329999999999998 110.935 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 0.631 ' HE1' HG22 ' G' ' 31' ' ' ILE . 27.5 m-85 64.02 30.87 13.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.196 -0.457 . . . . 74.409999999999997 110.891 -179.9 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . 0.782 ' HB2' HG12 ' G' ' 18' ' ' VAL . . . -88.81 134.34 33.97 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 62.310000000000002 111.103 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 61.75 76.27 0.37 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.194 -0.457 . . . . 62.310000000000002 110.884 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . . . . . . . . . 11.3 p -146.08 143.44 21.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.235 -0.439 . . . . 73.439999999999998 111.131 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.9 -45.12 96.38 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.739 -0.744 . . . . 44.549999999999997 112.473 -180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.21 151.38 0.64 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.913 0.387 . . . . 50.240000000000002 110.851 -179.699 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.97 99.76 9.38 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.112 -0.495 . . . . 73.129999999999995 110.869 -179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -119.84 152.42 37.33 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 73.549999999999997 110.914 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 67.43 -125.87 24.29 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.783 -0.723 . . . . 42.409999999999997 112.445 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.677 ' O ' HD12 ' F' ' 31' ' ' ILE . . . -103.11 113.19 26.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.779 0.323 . . . . 61.549999999999997 111.123 179.958 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.925 HG23 HD13 ' F' ' 31' ' ' ILE . 0.1 OUTLIER -131.88 123.47 51.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.162 -0.472 . . . . 72.109999999999999 111.137 179.99 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 7.0 mt -129.46 119.42 48.27 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.168 -0.469 . . . . 72.099999999999994 111.1 179.871 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.82 -60.31 7.63 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.74 -0.743 . . . . 45.329999999999998 112.485 179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.893 HD22 ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -152.22 147.93 26.97 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.76 0.314 . . . . 73.340000000000003 110.955 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.566 ' CE ' HG23 ' G' ' 39' ' ' VAL . 0.0 OUTLIER -126.95 122.2 33.9 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.211 -0.45 . . . . 74.209999999999994 110.886 179.849 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.896 HG11 HG21 ' B' ' 36' ' ' VAL . 14.0 t -117.94 111.68 35.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.215 -0.448 . . . . 70.510000000000005 111.107 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.1 -57.1 4.36 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.742 -0.742 . . . . 75.540000000000006 112.487 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.52 154.59 38.48 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.726 -0.749 . . . . 72.450000000000003 112.442 -179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.834 ' C ' HG21 ' H' ' 39' ' ' VAL . 9.2 p -157.81 144.39 9.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-O 120.907 0.384 . . . . 75.040000000000006 111.083 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.558 ' N ' HG21 ' H' ' 39' ' ' VAL . 8.9 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 72.019999999999996 111.13 179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.832 0.349 . . . . 72.439999999999998 110.878 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' H' H ' 2' ' ' ALA . . . . . 0.417 ' HB3' ' HA ' ' G' ' 2' ' ' ALA . . . -114.44 73.37 0.82 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.213 -0.449 . . . . 71.209999999999994 111.071 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -50.27 -31.09 13.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.221 -0.445 . . . . 73.209999999999994 110.905 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 4' ' ' PHE . . . . . 0.616 ' CE2' ' HB2' ' C' ' 30' ' ' ALA . 0.2 OUTLIER -158.0 112.58 2.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.144 -0.48 . . . . 71.239999999999995 110.912 -179.905 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -131.52 107.01 8.58 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 73.230000000000004 110.881 -179.909 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 70.5 t60 -108.84 121.78 45.79 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.191 -0.458 . . . . 72.329999999999998 110.864 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -128.17 99.89 5.64 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.229 -0.441 . . . . 53.149999999999999 110.901 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' G' ' 8' ' ' SER . 16.4 t -147.01 175.62 10.54 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 54.100000000000001 110.883 -179.761 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -102.86 -12.66 31.58 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.754 -0.736 . . . . 61.420000000000002 112.484 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.75 111.79 0.23 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.807 0.337 . . . . 74.299999999999997 110.962 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 4.8 tt0 -105.55 124.0 48.83 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.152 -0.476 . . . . 51.310000000000002 110.898 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 21.9 t -134.49 113.51 17.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.158 -0.474 . . . . 74.319999999999993 111.134 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 62.2 m170 -120.51 118.71 30.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 75.239999999999995 110.864 179.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 11.1 m-70 -122.81 135.6 54.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.255 -0.429 . . . . 73.329999999999998 110.897 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 16.4 mm100 -130.82 132.52 45.28 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.229 -0.441 . . . . 72.109999999999999 110.933 -179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . 0.655 ' O ' HD22 ' H' ' 17' ' ' LEU . 5.6 tttp -121.7 124.18 43.64 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 63.310000000000002 110.901 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.655 HD22 ' O ' ' H' ' 16' ' ' LYS . 4.6 mm? -130.13 100.41 5.4 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.191 -0.459 . . . . 72.439999999999998 110.919 179.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.779 HG12 ' HB2' ' H' ' 21' ' ' ALA . 1.4 t -114.07 119.49 61.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 72.329999999999998 111.073 179.881 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.458 ' HE1' HD12 ' H' ' 17' ' ' LEU . 1.4 m-85 -109.37 137.03 47.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.482 . . . . 73.319999999999993 110.89 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . 0.598 ' HE1' HG22 ' H' ' 31' ' ' ILE . 25.4 m-85 63.22 30.31 15.86 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 70.310000000000002 110.879 -179.896 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . 0.779 ' HB2' HG12 ' H' ' 18' ' ' VAL . . . -89.06 135.36 33.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.15 -0.477 . . . . 72.25 111.102 179.918 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 58.78 77.68 0.29 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.17 -0.468 . . . . 55.409999999999997 110.904 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.44 ' CG1' HG23 ' I' ' 24' ' ' VAL . 11.6 p -145.81 143.25 21.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 75.239999999999995 111.107 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -59.33 -45.48 95.37 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.726 -0.749 . . . . 71.129999999999995 112.454 179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -178.45 149.9 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.868 0.366 . . . . 64.239999999999995 110.864 -179.735 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -104.52 99.43 9.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 75.530000000000001 110.958 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -119.53 152.22 37.33 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.194 -0.457 . . . . 64.329999999999998 110.882 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 68.15 -126.3 22.82 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.725 -0.75 . . . . 63.509999999999998 112.492 179.946 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . 0.699 ' O ' HD12 ' G' ' 31' ' ' ILE . . . -103.18 112.97 26.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.741 0.305 . . . . 50.439999999999998 111.098 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.872 HG23 HD13 ' G' ' 31' ' ' ILE . 0.1 OUTLIER -132.22 123.62 50.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 50.509999999999998 111.109 179.961 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 6.7 mt -129.27 119.43 48.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.175 -0.466 . . . . 70.310000000000002 111.17 179.829 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.93 -60.12 7.92 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 73.040000000000006 112.502 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.91 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -152.0 146.06 25.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.814 0.34 . . . . 75.230000000000004 110.874 -179.914 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . 0.709 ' CE ' HG23 ' H' ' 39' ' ' VAL . 0.0 OUTLIER -127.43 122.51 33.75 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.154 -0.475 . . . . 72.219999999999999 110.845 179.86 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.928 HG21 HG11 ' C' ' 36' ' ' VAL . 12.1 t -119.45 111.12 31.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.181 -0.463 . . . . 51.229999999999997 111.124 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.48 -58.55 3.73 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.753 -0.736 . . . . 65.420000000000002 112.475 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.26 157.86 45.13 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.726 -0.75 . . . . 73.319999999999993 112.5 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.834 HG21 ' C ' ' G' ' 39' ' ' VAL . 7.7 p -162.38 147.46 3.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.904 0.383 . . . . 63.109999999999999 111.066 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . 0.633 ' N ' HG21 ' I' ' 39' ' ' VAL . 10.2 m . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.145 -0.479 . . . . 75.200000000000003 111.128 179.884 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 . . . . . 0 C--O 1.231 0.127 0 CA-C-O 120.792 0.329 . . . . 73.129999999999995 110.852 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.44 72.71 0.79 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.243 -0.435 . . . . 74.150000000000006 111.045 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -51.34 -30.51 18.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.259 -0.428 . . . . 54.399999999999999 110.84 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 4' ' ' PHE . . . . . 0.589 ' CE2' ' HB2' ' D' ' 30' ' ' ALA . 0.2 OUTLIER -158.74 112.8 2.44 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.464 . . . . 74.310000000000002 110.902 -179.927 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -130.02 107.56 9.44 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.132 -0.486 . . . . 72.519999999999996 110.875 -179.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 69.2 t60 -108.91 120.57 42.91 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.165 -0.471 . . . . 70.409999999999997 110.84 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -128.31 100.09 5.68 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.188 -0.46 . . . . 74.329999999999998 110.885 179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 16.6 t -147.17 175.14 10.96 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.166 -0.47 . . . . 71.430000000000007 110.885 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.45 -11.87 32.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 64.340000000000003 112.5 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.55 111.05 0.24 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.803 0.335 . . . . 72.230000000000004 110.938 -179.772 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -104.86 125.24 50.69 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 74.519999999999996 110.861 -179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 22.0 t -134.65 114.26 17.77 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 73.430000000000007 111.105 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 58.5 m170 -121.47 118.64 29.85 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.155 -0.475 . . . . 73.510000000000005 110.854 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 11.2 m-70 -123.94 135.71 53.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.229 -0.441 . . . . 71.349999999999994 110.872 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 14.7 mm100 -130.61 132.81 45.69 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 72.439999999999998 110.972 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . 0.696 ' O ' HD22 ' I' ' 17' ' ' LEU . 5.4 tttp -120.86 121.64 38.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.236 -0.438 . . . . 73.549999999999997 110.931 179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.696 HD22 ' O ' ' I' ' 16' ' ' LYS . 4.5 mm? -131.27 99.66 4.93 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.438 . . . . 72.310000000000002 110.893 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . 0.765 HG12 ' HB2' ' I' ' 21' ' ' ALA . 0.7 OUTLIER -113.75 122.05 67.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 74.030000000000001 111.133 179.837 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . 0.441 ' HE1' HD12 ' I' ' 17' ' ' LEU . 1.0 OUTLIER -111.43 137.81 48.75 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.178 -0.465 . . . . 74.530000000000001 110.863 -179.963 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . 0.588 ' HE1' HG22 ' I' ' 31' ' ' ILE . 21.0 m-85 61.26 28.64 18.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 64.120000000000005 110.923 -179.942 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . 0.765 ' HB2' HG12 ' I' ' 18' ' ' VAL . . . -89.5 136.54 32.97 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.125 -0.489 . . . . 61.240000000000002 111.134 179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 57.14 77.88 0.25 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.243 -0.435 . . . . 75.409999999999997 110.887 179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.461 ' CG1' HG23 ' J' ' 24' ' ' VAL . 11.2 p -145.48 142.2 22.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.233 -0.44 . . . . 62.140000000000001 111.09 -179.955 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.85 -44.62 95.87 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.752 -0.737 . . . . 72.349999999999994 112.481 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.42 148.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.897 0.38 . . . . 75.219999999999999 110.859 -179.752 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -104.35 99.21 8.91 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.127 -0.488 . . . . 72.409999999999997 110.94 179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -120.43 152.28 38.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 73.030000000000001 110.909 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . 0.401 ' HA3' ' HG2' ' C' ' 3' ' ' GLU . . . 69.45 -126.55 19.15 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.736 -0.745 . . . . 75.319999999999993 112.508 179.904 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.718 ' O ' HD12 ' H' ' 31' ' ' ILE . . . -103.61 112.72 25.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.778 0.323 . . . . 65.200000000000003 111.107 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.666 HG23 HD13 ' H' ' 31' ' ' ILE . 0.2 OUTLIER -134.51 124.11 44.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 73.209999999999994 111.125 179.998 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . 0.425 HD13 ' SD ' ' I' ' 35' ' ' MET . 6.8 mt -128.86 120.27 51.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.165 -0.471 . . . . 70.310000000000002 111.13 179.842 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -51.3 -61.92 5.86 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.769 -0.729 . . . . 63.5 112.449 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.927 HD22 ' O ' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -150.92 144.15 24.79 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.803 0.335 . . . . 72.420000000000002 110.922 -179.922 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . 0.758 ' CE ' HG23 ' I' ' 39' ' ' VAL . 0.0 OUTLIER -128.35 123.38 33.77 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 72.129999999999995 110.869 179.829 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.945 HG21 HG11 ' D' ' 36' ' ' VAL . 11.9 t -122.7 109.73 24.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.218 -0.446 . . . . 72.230000000000004 111.118 179.935 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 77.44 -59.34 3.69 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 71.010000000000005 112.462 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -78.44 159.68 46.79 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.738 -0.744 . . . . 45.310000000000002 112.46 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 0.785 HG21 ' C ' ' H' ' 39' ' ' VAL . 8.1 p -165.56 153.17 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.842 0.353 . . . . 71.040000000000006 111.156 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . 0.573 ' N ' HG21 ' J' ' 39' ' ' VAL . 9.0 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.459 . . . . 73.450000000000003 111.171 179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.843 0.354 . . . . 70.219999999999999 110.858 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -113.46 73.57 0.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 61.149999999999999 111.136 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -50.84 -30.74 15.18 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.235 -0.439 . . . . 65.519999999999996 110.879 -179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' J' J ' 4' ' ' PHE . . . . . 0.552 ' CE2' ' HB2' ' E' ' 30' ' ' ALA . 0.2 OUTLIER -159.15 114.67 2.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 72.510000000000005 110.915 -179.942 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -129.45 107.8 9.77 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.147 -0.479 . . . . 71.439999999999998 110.88 -179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 66.8 t60 -108.9 119.72 40.4 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.166 -0.47 . . . . 75.450000000000003 110.859 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 3.8 t0 -128.72 100.03 5.56 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.22 -0.445 . . . . 71.450000000000003 110.87 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 16.4 t -148.23 172.2 14.73 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.258 -0.428 . . . . 70.129999999999995 110.861 -179.779 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -101.44 -11.65 37.99 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.754 -0.736 . . . . 71.340000000000003 112.487 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -172.47 109.68 0.22 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.857 0.36 . . . . 65.209999999999994 110.917 -179.793 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -104.65 124.91 50.19 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.109 -0.496 . . . . 73.099999999999994 110.876 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 22.0 t -133.07 116.54 26.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.172 -0.467 . . . . 71.299999999999997 111.115 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 59.3 m170 -120.32 118.59 30.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.171 -0.468 . . . . 71.230000000000004 110.869 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 11.0 m-70 -122.19 136.11 54.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.188 -0.46 . . . . 75.340000000000003 110.838 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 13.2 mm100 -132.35 135.34 46.1 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.199 -0.455 . . . . 65.109999999999999 110.9 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . 0.726 ' O ' HD22 ' J' ' 17' ' ' LEU . 4.5 tttp -122.56 120.14 32.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 61.130000000000003 110.941 179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.726 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.3 mm? -133.13 99.74 4.65 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.233 -0.44 . . . . 73.120000000000005 110.908 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.717 HG12 ' HB2' ' J' ' 21' ' ' ALA . 0.2 OUTLIER -113.14 124.24 69.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 54.009999999999998 111.123 179.835 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.453 ' CD1' ' N ' ' J' ' 19' ' ' PHE . 0.8 OUTLIER -114.34 136.43 52.99 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.186 -0.461 . . . . 65.0 110.863 179.988 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . 0.478 ' HE1' HG22 ' J' ' 31' ' ' ILE . 22.0 m-85 59.03 28.31 17.53 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.146 -0.479 . . . . 71.109999999999999 110.901 -179.936 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . 0.717 ' HB2' HG12 ' J' ' 18' ' ' VAL . . . -91.56 139.05 31.08 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 71.439999999999998 111.099 179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 54.82 78.53 0.17 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.151 -0.477 . . . . 52.030000000000001 110.842 179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.461 HG23 ' CG1' ' I' ' 24' ' ' VAL . 11.2 p -145.63 139.82 21.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 75.219999999999999 111.069 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.32 -44.3 93.48 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.719 -0.753 . . . . 63.439999999999998 112.488 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 0.6 OUTLIER -179.79 145.18 0.22 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.88 0.371 . . . . 73.140000000000001 110.845 -179.767 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER -103.33 98.77 8.63 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 75.219999999999999 110.889 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . 0.484 ' C ' HD11 ' J' ' 31' ' ' ILE . 1.1 tptp -121.34 153.08 38.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.445 . . . . 73.319999999999993 110.907 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . 0.407 ' HA3' ' HG2' ' D' ' 3' ' ' GLU . . . 70.07 -127.57 18.4 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.76 -0.733 . . . . 71.150000000000006 112.514 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 0.601 ' O ' HD12 ' I' ' 31' ' ' ILE . . . -104.04 112.52 25.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.769 0.319 . . . . 51.200000000000003 111.069 -179.962 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.484 HD11 ' C ' ' J' ' 28' ' ' LYS . 0.5 OUTLIER -135.82 125.45 40.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.153 -0.476 . . . . 75.420000000000002 111.084 179.993 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . 0.466 HD13 ' SD ' ' J' ' 35' ' ' MET . 7.9 mt -127.32 120.29 54.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 52.0 111.149 179.841 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -52.58 -60.04 8.36 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.724 -0.751 . . . . 63.200000000000003 112.514 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.857 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -150.88 146.36 26.26 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.806 0.336 . . . . 74.129999999999995 110.924 -179.958 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . 0.653 ' CE ' HG23 ' J' ' 39' ' ' VAL . 0.2 OUTLIER -136.74 122.79 20.27 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 75.140000000000001 110.892 179.802 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.894 HG21 HG11 ' E' ' 36' ' ' VAL . 18.8 t -126.69 108.65 19.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.453 . . . . 71.409999999999997 111.145 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 76.79 -58.9 3.46 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.77 -0.729 . . . . 62.210000000000001 112.452 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -79.64 160.67 45.55 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.734 -0.746 . . . . 71.450000000000003 112.496 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.724 HG11 ' O ' ' I' ' 39' ' ' VAL . 11.2 p -166.71 153.36 1.53 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-O 120.873 0.368 . . . . 60.109999999999999 111.132 -179.929 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 12.5 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.156 -0.475 . . . . 75.030000000000001 111.144 179.916 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 . . . . . 0 C--O 1.23 0.059 0 CA-C-O 120.825 0.345 . . . . 64.150000000000006 110.891 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.18 89.38 2.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.161 -0.472 . . . . 62.119999999999997 111.101 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.55 -38.47 84.61 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 74.299999999999997 110.904 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.631 ' CE1' ' HB2' ' F' ' 30' ' ' ALA . 7.9 m-85 -142.17 112.37 7.02 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.154 -0.475 . . . . 71.430000000000007 110.904 -179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -135.73 107.63 7.1 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.119 -0.491 . . . . 72.129999999999995 110.867 -179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 4.9 t60 -107.39 119.71 40.16 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.173 -0.467 . . . . 73.549999999999997 110.866 179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -116.46 100.96 8.23 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.267 -0.424 . . . . 71.310000000000002 110.885 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 26.8 m -154.07 177.34 11.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 74.409999999999997 110.836 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.96 -32.9 5.98 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.778 -0.725 . . . . 52.210000000000001 112.531 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 54.0 m-85 -144.43 128.73 17.82 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.837 0.351 . . . . 73.299999999999997 110.941 -179.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -111.8 117.76 33.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.163 -0.471 . . . . 73.319999999999993 110.87 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 43.2 t -131.91 113.8 23.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.458 . . . . 72.299999999999997 111.117 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 36.3 m170 -115.13 113.31 23.82 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.204 -0.453 . . . . 70.340000000000003 110.876 179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -124.71 121.4 34.54 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.215 -0.448 . . . . 75.040000000000006 110.892 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . 0.699 ' OE1' HG23 ' F' ' 39' ' ' VAL . 0.0 OUTLIER -117.11 132.94 56.55 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.224 -0.443 . . . . 73.019999999999996 110.9 -179.939 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.406 ' C ' HD22 ' A' ' 17' ' ' LEU . 1.0 OUTLIER -132.11 116.12 16.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.155 -0.475 . . . . 75.219999999999999 110.91 179.96 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.636 ' HB2' HD13 ' B' ' 17' ' ' LEU . 4.4 mm? -123.05 109.02 13.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 73.420000000000002 110.907 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . 0.517 ' CG1' ' HB2' ' A' ' 21' ' ' ALA . 87.9 t -108.61 112.66 41.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 45.329999999999998 111.108 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.594 ' CE1' HD12 ' A' ' 17' ' ' LEU . 9.2 m-85 -111.0 106.44 15.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.182 -0.463 . . . . 72.409999999999997 110.9 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.412 ' CD1' ' HA2' ' A' ' 33' ' ' GLY . 8.7 m-85 62.01 80.26 0.23 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 74.409999999999997 110.9 -179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . 0.517 ' HB2' ' CG1' ' A' ' 18' ' ' VAL . . . -112.43 135.36 53.22 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.152 -0.477 . . . . 71.209999999999994 111.138 179.93 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 54.62 73.23 0.41 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.227 -0.442 . . . . 75.439999999999998 110.866 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.55 HG13 HG23 ' B' ' 24' ' ' VAL . 4.1 p -112.26 144.41 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.141 -0.481 . . . . 74.540000000000006 111.146 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.67 -49.06 45.89 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.704 -0.76 . . . . 53.240000000000002 112.468 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -160.98 133.07 5.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.884 0.373 . . . . 74.209999999999994 110.83 -179.732 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 24.7 m120 -102.82 101.51 11.58 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.126 -0.488 . . . . 71.510000000000005 110.877 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -113.91 166.7 11.32 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.119 -0.491 . . . . 55.130000000000003 110.932 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.11 -130.62 47.52 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.695 -0.764 . . . . 53.240000000000002 112.504 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.67 ' HB2' ' CE1' ' F' ' 4' ' ' PHE . . . -109.91 111.66 23.21 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.817 0.342 . . . . 74.129999999999995 111.09 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.75 HG13 HG22 ' B' ' 31' ' ' ILE . 0.0 OUTLIER -122.29 115.18 45.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 71.150000000000006 111.146 -179.994 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -130.99 122.61 52.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.209 -0.451 . . . . 75.140000000000001 111.118 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . 0.412 ' HA2' ' CD1' ' A' ' 20' ' ' PHE . . . -52.41 -49.99 49.37 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.751 -0.738 . . . . 53.340000000000003 112.514 179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.816 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -165.42 148.86 8.13 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.818 0.342 . . . . 75.140000000000001 110.913 -179.897 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . 0.423 ' HG3' ' HB3' ' B' ' 35' ' ' MET . 3.8 ttp -132.2 123.85 27.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 74.239999999999995 110.903 179.862 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.796 HG21 HG11 ' F' ' 36' ' ' VAL . 91.3 t -143.71 110.93 1.59 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 61.119999999999997 111.13 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 87.54 -10.94 67.6 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.74 -0.743 . . . . 32.240000000000002 112.47 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.59 159.94 13.48 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.731 -0.747 . . . . 73.349999999999994 112.434 -179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.692 HG23 ' OE1' ' F' ' 15' ' ' GLN . 92.2 t -131.81 142.45 43.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.859 0.362 . . . . 72.549999999999997 111.102 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.447 ' C ' HG22 ' B' ' 40' ' ' VAL . 23.2 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 74.109999999999999 111.123 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 19.4 m-20 . . . . . 0 C--O 1.23 0.074 0 CA-C-O 120.857 0.361 . . . . 72.420000000000002 110.883 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.63 89.37 2.98 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.461 . . . . 75.400000000000006 111.089 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -60.15 -37.74 81.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.243 -0.435 . . . . 73.010000000000005 110.92 -179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.595 ' CE1' ' HB2' ' G' ' 30' ' ' ALA . 9.7 m-85 -143.35 111.11 5.95 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.124 -0.489 . . . . 74.349999999999994 110.831 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -131.57 107.7 9.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 73.099999999999994 110.873 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -110.6 118.35 35.97 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.217 -0.447 . . . . 71.329999999999998 110.85 179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -115.65 101.33 8.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.158 -0.474 . . . . 73.109999999999999 110.9 179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' C' ' 8' ' ' SER . 25.4 m -152.26 176.82 11.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 72.420000000000002 110.858 -179.769 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -98.49 -32.91 5.83 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.791 -0.719 . . . . 75.129999999999995 112.49 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -144.56 128.14 17.08 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.815 0.34 . . . . 71.450000000000003 110.922 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -109.05 117.45 34.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 62.409999999999997 110.918 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 43.4 t -128.91 113.78 30.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.156 -0.475 . . . . 52.43 111.1 180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 32.8 m170 -116.72 113.07 22.09 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.167 -0.469 . . . . 63.009999999999998 110.851 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -123.83 123.48 40.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.255 -0.43 . . . . 74.329999999999998 110.847 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . 0.455 ' HG3' HG21 ' H' ' 39' ' ' VAL . 0.0 OUTLIER -117.57 132.55 56.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.251 -0.431 . . . . 73.349999999999994 110.907 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . 0.438 ' C ' HD22 ' B' ' 17' ' ' LEU . 1.0 OUTLIER -127.94 116.32 19.9 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.226 -0.443 . . . . 74.019999999999996 110.886 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.731 ' HB2' HD13 ' C' ' 17' ' ' LEU . 4.4 mm? -124.32 105.08 9.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 35.420000000000002 110.876 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . 0.466 ' CG1' ' HB2' ' B' ' 21' ' ' ALA . 94.4 t -107.8 112.06 38.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.182 -0.463 . . . . 72.120000000000005 111.11 179.85 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.639 ' CE1' HD12 ' B' ' 17' ' ' LEU . 6.7 m-85 -111.3 104.0 12.44 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.449 . . . . 73.420000000000002 110.851 179.996 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . . . . . . . . . 12.8 m-85 61.44 79.89 0.24 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.101 -0.5 . . . . 73.549999999999997 110.862 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . 0.466 ' HB2' ' CG1' ' B' ' 18' ' ' VAL . . . -109.5 133.39 53.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.171 -0.468 . . . . 64.310000000000002 111.104 179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 56.35 73.68 0.43 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.194 -0.457 . . . . 74.040000000000006 110.887 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.597 HG13 HG23 ' C' ' 24' ' ' VAL . 2.8 p -111.42 143.78 20.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.208 -0.451 . . . . 71.450000000000003 111.1 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.03 -47.13 39.75 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.74 -0.743 . . . . 45.219999999999999 112.48 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . . . . . . . . . 3.8 m -160.97 131.74 5.31 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.9 0.381 . . . . 74.420000000000002 110.877 -179.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . 0.56 HD22 HG21 ' B' ' 31' ' ' ILE . 20.3 m120 -102.22 100.38 10.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.155 -0.475 . . . . 65.299999999999997 110.91 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -114.1 169.53 8.95 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.175 -0.466 . . . . 70.200000000000003 110.867 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.87 -129.05 38.22 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.752 -0.737 . . . . 74.450000000000003 112.479 179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.613 ' HB2' ' CE1' ' G' ' 4' ' ' PHE . . . -109.16 112.29 24.38 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.766 0.317 . . . . 63.219999999999999 111.097 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.859 HG13 HG22 ' C' ' 31' ' ' ILE . 0.0 OUTLIER -118.76 113.83 42.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 64.129999999999995 111.134 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -130.63 122.07 51.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.178 -0.464 . . . . 64.319999999999993 111.108 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.98 -46.38 93.78 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.742 -0.742 . . . . 60.240000000000002 112.507 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.89 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -163.98 147.36 9.74 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.783 0.325 . . . . 64.109999999999999 110.874 -179.919 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.423 ' HB3' ' HG3' ' A' ' 35' ' ' MET . 3.6 ttp -132.75 123.08 25.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 73.340000000000003 110.868 179.839 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.761 HG21 HG11 ' G' ' 36' ' ' VAL . 89.8 t -147.74 110.44 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.225 -0.443 . . . . 74.439999999999998 111.138 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.05 -8.78 71.97 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.764 -0.731 . . . . 61.509999999999998 112.487 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -111.12 158.35 14.4 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.745 -0.741 . . . . 75.230000000000004 112.479 -179.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.59 ' O ' HG13 ' C' ' 39' ' ' VAL . 78.0 t -133.87 139.09 49.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.874 0.368 . . . . 64.310000000000002 111.139 -179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.457 ' C ' HG22 ' C' ' 40' ' ' VAL . 22.8 m . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 74.439999999999998 111.084 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 . . . . . 0 C--O 1.23 0.06 0 CA-C-O 120.802 0.334 . . . . 72.230000000000004 110.869 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.74 89.06 2.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.175 -0.466 . . . . 73.120000000000005 111.139 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.8 -38.03 80.8 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.217 -0.447 . . . . 75.209999999999994 110.843 -179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . 0.58 ' CZ ' ' HB2' ' H' ' 30' ' ' ALA . 11.4 m-85 -143.3 110.55 5.73 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 71.25 110.889 -179.925 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 2.0 tpt180 -128.21 107.74 10.03 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.121 -0.491 . . . . 70.239999999999995 110.929 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -112.21 117.45 32.59 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.209 -0.45 . . . . 64.209999999999994 110.888 179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -115.07 101.75 9.29 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 70.209999999999994 110.856 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' B' ' 8' ' ' SER . 24.2 m -153.15 176.04 12.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.213 -0.449 . . . . 71.219999999999999 110.894 -179.82 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.19 -32.41 5.83 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.739 -0.743 . . . . 31.420000000000002 112.478 -179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -144.91 127.77 16.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.894 0.378 . . . . 74.530000000000001 110.921 -179.841 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 7.3 tp10 -107.12 118.23 36.16 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.09 -0.505 . . . . 74.420000000000002 110.884 -179.987 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 43.0 t -127.5 113.35 31.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.158 -0.474 . . . . 73.109999999999999 111.099 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 30.2 m170 -117.67 113.26 21.63 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.133 -0.485 . . . . 75.349999999999994 110.875 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -124.75 123.73 40.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 71.420000000000002 110.888 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . 0.496 ' OE1' HG23 ' H' ' 39' ' ' VAL . 0.0 OUTLIER -118.95 131.89 56.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.249 -0.432 . . . . 74.340000000000003 110.952 -179.9 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.489 ' C ' HD22 ' C' ' 17' ' ' LEU . 1.0 OUTLIER -124.67 116.44 22.38 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.241 -0.436 . . . . 73.340000000000003 110.883 179.978 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.731 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.5 mm? -125.32 103.14 7.77 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.284 -0.416 . . . . 74.129999999999995 110.935 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . 0.45 ' CG1' ' HB2' ' C' ' 21' ' ' ALA . 97.4 t -107.47 112.37 39.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.217 -0.447 . . . . 55.509999999999998 111.16 179.805 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.555 ' CE1' HD12 ' C' ' 17' ' ' LEU . 5.3 m-30 -108.78 101.12 10.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.166 -0.47 . . . . 73.109999999999999 110.909 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.407 ' CD1' ' HA2' ' C' ' 33' ' ' GLY . 9.4 m-85 60.01 82.69 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 63.229999999999997 110.892 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . 0.45 ' HB2' ' CG1' ' C' ' 18' ' ' VAL . . . -110.19 133.81 52.85 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.187 -0.46 . . . . 73.120000000000005 111.119 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 56.88 74.02 0.43 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.222 -0.444 . . . . 75.239999999999995 110.9 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.597 HG23 HG13 ' B' ' 24' ' ' VAL . 3.0 p -111.34 144.12 19.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.159 -0.473 . . . . 75.120000000000005 111.14 179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.3 -46.62 40.85 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.73 -0.747 . . . . 64.349999999999994 112.462 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -160.89 131.36 5.22 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.912 0.387 . . . . 75.010000000000005 110.878 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.599 HD22 HG21 ' C' ' 31' ' ' ILE . 18.9 m120 -102.25 100.12 10.28 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 75.409999999999997 110.906 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 1.3 tptp -114.75 170.2 8.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.21 -0.45 . . . . 73.019999999999996 110.925 179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 53.09 -129.35 39.36 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.702 -0.761 . . . . 74.400000000000006 112.53 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.614 ' HB2' ' CE1' ' H' ' 4' ' ' PHE . . . -107.4 111.9 24.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.795 0.331 . . . . 71.239999999999995 111.072 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.88 HG13 HG22 ' D' ' 31' ' ' ILE . 0.0 OUTLIER -116.67 111.49 35.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.259 -0.428 . . . . 73.340000000000003 111.119 179.963 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -128.87 122.01 55.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.179 -0.464 . . . . 62.329999999999998 111.139 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . 0.407 ' HA2' ' CD1' ' C' ' 20' ' ' PHE . . . -61.54 -46.7 93.77 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 73.120000000000005 112.456 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.924 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -161.46 146.11 13.33 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.833 0.349 . . . . 72.329999999999998 110.92 -179.977 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . . . . . . . . . 4.0 ttp -131.66 122.0 25.24 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.162 -0.472 . . . . 73.409999999999997 110.838 179.867 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.645 HG13 ' O ' ' B' ' 36' ' ' VAL . 84.8 t -150.17 109.88 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 54.130000000000003 111.149 179.905 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.17 -8.12 72.23 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.703 -0.76 . . . . 65.140000000000001 112.477 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.49 156.67 15.44 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 63.310000000000002 112.491 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.602 ' O ' HG13 ' D' ' 39' ' ' VAL . 78.9 t -134.17 138.29 50.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.855 0.359 . . . . 74.319999999999993 111.116 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.457 HG22 ' C ' ' B' ' 40' ' ' VAL . 24.1 m . . . . . 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 64.439999999999998 111.15 179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 . . . . . 0 C--O 1.231 0.1 0 CA-C-O 120.852 0.358 . . . . 65.150000000000006 110.862 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -108.12 89.14 2.91 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 54.119999999999997 111.13 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.91 -38.61 82.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.231 -0.44 . . . . 74.299999999999997 110.909 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . 0.604 ' CZ ' ' HB2' ' I' ' 30' ' ' ALA . 11.5 m-85 -143.31 110.74 5.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 71.400000000000006 110.908 -179.953 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -125.96 108.41 11.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 63.130000000000003 110.851 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 5.9 t60 -114.21 116.85 29.71 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.15 -0.477 . . . . 72.230000000000004 110.889 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -114.14 102.32 10.04 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 63.119999999999997 110.847 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . 0.401 ' HA ' ' O ' ' C' ' 8' ' ' SER . 25.8 m -155.02 175.07 14.3 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.184 -0.462 . . . . 74.099999999999994 110.87 -179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.86 -31.71 5.9 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.732 -0.747 . . . . 60.43 112.467 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 49.3 m-85 -145.23 128.6 16.87 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.896 0.379 . . . . 74.310000000000002 110.936 -179.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 7.2 tp10 -106.52 119.77 40.17 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.101 -0.499 . . . . 73.230000000000004 110.86 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 43.3 t -126.86 112.62 29.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.106 -0.497 . . . . 72.109999999999999 111.133 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 29.5 m170 -117.96 113.41 21.66 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.154 -0.475 . . . . 70.340000000000003 110.838 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -123.97 123.09 39.62 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.208 -0.451 . . . . 72.310000000000002 110.882 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . 0.493 ' OE1' HG23 ' I' ' 39' ' ' VAL . 0.0 OUTLIER -118.7 132.19 56.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.213 -0.448 . . . . 72.349999999999994 110.946 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.57 ' O ' HD22 ' D' ' 17' ' ' LEU . 0.9 OUTLIER -123.81 117.07 24.05 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 42.130000000000003 110.903 179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.721 HD13 ' HB2' ' C' ' 17' ' ' LEU . 4.5 mm? -128.85 101.31 6.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.232 -0.44 . . . . 75.109999999999999 110.922 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . 0.49 ' CG1' ' HB2' ' D' ' 21' ' ' ALA . 89.2 t -105.92 113.99 44.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.199 -0.455 . . . . 75.129999999999995 111.109 179.865 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.518 ' HE1' HD12 ' D' ' 17' ' ' LEU . 4.7 m-30 -107.54 99.44 8.94 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.207 -0.451 . . . . 75.510000000000005 110.887 179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.406 ' CD1' ' HA2' ' D' ' 33' ' ' GLY . 7.9 m-85 59.81 83.89 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 71.25 110.918 -179.904 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . 0.49 ' HB2' ' CG1' ' D' ' 18' ' ' VAL . . . -110.64 134.59 52.3 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 73.109999999999999 111.118 179.951 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 56.9 74.19 0.42 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 74.120000000000005 110.911 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.538 HG23 HG13 ' C' ' 24' ' ' VAL . 2.8 p -112.28 143.51 21.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.197 -0.456 . . . . 74.019999999999996 111.103 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.9 -46.15 38.75 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.805 -0.712 . . . . 71.25 112.454 -179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -160.6 131.82 5.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.861 0.362 . . . . 74.230000000000004 110.854 -179.73 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . 0.642 HD22 HG21 ' D' ' 31' ' ' ILE . 19.0 m120 -102.5 99.61 9.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.151 -0.477 . . . . 71.140000000000001 110.86 -179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -114.7 170.96 7.94 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 74.319999999999993 110.884 179.924 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.86 -129.13 38.28 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.775 -0.726 . . . . 64.200000000000003 112.465 179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.628 ' HB2' ' CE1' ' I' ' 4' ' ' PHE . . . -106.73 111.87 24.6 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.714 0.292 . . . . 70.120000000000005 111.109 179.972 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.88 HG22 HG13 ' C' ' 31' ' ' ILE . 0.0 OUTLIER -114.65 110.44 32.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.263 -0.426 . . . . 72.299999999999997 111.138 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -127.92 121.18 55.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.158 -0.474 . . . . 74.439999999999998 111.095 179.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . 0.406 ' HA2' ' CD1' ' D' ' 20' ' ' PHE . . . -63.0 -45.79 94.88 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.714 -0.755 . . . . 54.539999999999999 112.47 179.912 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.926 HD22 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -160.49 145.44 14.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.766 0.317 . . . . 74.519999999999996 110.932 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . . . . . . . . . 4.9 ttp -132.11 120.94 22.99 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.206 -0.452 . . . . 63.409999999999997 110.898 179.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.637 HG13 ' O ' ' C' ' 36' ' ' VAL . 92.8 t -150.98 109.15 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 65.230000000000004 111.133 179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.92 -6.97 72.33 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.724 -0.75 . . . . 70.049999999999997 112.51 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.79 155.29 16.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.702 -0.761 . . . . 45.340000000000003 112.511 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.602 HG13 ' O ' ' C' ' 39' ' ' VAL . 77.1 t -135.31 138.03 49.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-O 120.904 0.383 . . . . 72.329999999999998 111.103 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . . . . . . . . . 27.7 m . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.465 . . . . 71.010000000000005 111.122 179.897 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 . . . . . 0 C--O 1.23 0.062 0 CA-C-O 120.86 0.362 . . . . 72.319999999999993 110.847 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.28 88.76 2.81 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.164 -0.471 . . . . 55.310000000000002 111.119 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . 0.409 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . 1.7 mp0 -60.41 -35.71 76.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 63.5 110.868 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . 0.563 ' CZ ' ' HB2' ' J' ' 30' ' ' ALA . 13.6 m-85 -144.75 112.74 6.38 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 73.209999999999994 110.852 -179.919 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -126.28 105.35 8.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.1 -0.5 . . . . 73.129999999999995 110.895 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 5.5 t60 -114.86 115.29 26.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 75.140000000000001 110.838 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -111.37 100.89 9.4 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.184 -0.462 . . . . 71.439999999999998 110.915 179.968 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 25.7 m -154.9 170.72 21.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 53.119999999999997 110.833 -179.76 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.5 -29.99 7.53 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.765 -0.731 . . . . 75.109999999999999 112.437 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -146.66 128.72 15.56 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.859 0.362 . . . . 71.150000000000006 110.924 -179.798 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -106.8 119.99 40.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 72.120000000000005 110.893 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 43.5 t -124.71 113.61 36.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.142 -0.481 . . . . 63.340000000000003 111.097 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 30.3 m170 -118.61 112.67 20.14 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.163 -0.471 . . . . 64.5 110.887 179.9 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -123.01 124.39 43.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.201 -0.454 . . . . 75.430000000000007 110.875 -179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . 0.585 ' OE1' HG23 ' J' ' 39' ' ' VAL . 0.0 OUTLIER -120.6 134.43 55.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.184 -0.462 . . . . 72.420000000000002 110.95 -179.923 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . 0.564 ' O ' HD22 ' E' ' 17' ' ' LEU . 0.8 OUTLIER -123.44 116.14 22.74 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 72.030000000000001 110.91 179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.629 HD13 ' HB2' ' D' ' 17' ' ' LEU . 4.3 mm? -129.27 103.76 7.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.238 -0.437 . . . . 75.030000000000001 110.946 179.906 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' E' ' 21' ' ' ALA . 92.3 t -105.92 115.06 46.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 61.119999999999997 111.096 179.882 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.582 ' HE1' HD12 ' E' ' 17' ' ' LEU . 4.8 m-30 -107.79 96.11 6.16 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.186 -0.461 . . . . 74.209999999999994 110.849 -179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.404 ' CD1' ' HA2' ' E' ' 33' ' ' GLY . 7.1 m-85 60.39 82.77 0.15 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.467 . . . . 63.409999999999997 110.882 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . 0.481 ' HB2' ' CG1' ' E' ' 18' ' ' VAL . . . -107.79 134.77 50.27 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.168 -0.469 . . . . 24.539999999999999 111.132 179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 54.73 74.69 0.34 Allowed 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.244 -0.435 . . . . 74.319999999999993 110.897 179.98 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . . . . . . . . . 3.3 p -110.32 142.97 21.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.2 -0.455 . . . . 63.520000000000003 111.099 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.94 -45.28 27.38 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 71.040000000000006 112.501 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 4.2 m -161.03 132.37 5.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.905 0.384 . . . . 73.129999999999995 110.808 -179.707 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . 0.578 HD22 HG21 ' E' ' 31' ' ' ILE . 23.7 m120 -101.72 99.29 9.52 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.49 . . . . 64.219999999999999 110.919 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 1.1 tptp -114.85 170.21 8.51 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.214 -0.448 . . . . 73.230000000000004 110.927 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.91 -130.82 40.43 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.764 -0.731 . . . . 71.329999999999998 112.458 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.601 ' HB2' ' CZ ' ' J' ' 4' ' ' PHE . . . -104.12 113.49 27.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.739 0.304 . . . . 75.299999999999997 111.053 -179.987 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.749 HG22 HG13 ' D' ' 31' ' ' ILE . 0.0 OUTLIER -111.58 111.99 38.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.205 -0.452 . . . . 63.340000000000003 111.116 -179.999 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -130.04 113.69 27.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.447 . . . . 74.549999999999997 111.112 179.889 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . 0.404 ' HA2' ' CD1' ' E' ' 20' ' ' PHE . . . -61.04 -40.23 98.22 Favored Glycine 0 N--CA 1.45 -0.381 0 C-N-CA 120.74 -0.743 . . . . 55.530000000000001 112.509 179.898 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.841 HD22 ' O ' ' E' ' 34' ' ' LEU . 0.0 OUTLIER -163.01 145.44 10.37 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 120.796 0.331 . . . . 64.140000000000001 110.923 -179.936 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . . . . . . . . . 3.8 ttp -134.51 120.88 20.25 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.185 -0.461 . . . . 73.019999999999996 110.906 179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.618 HG13 ' O ' ' D' ' 36' ' ' VAL . 96.6 t -151.46 108.43 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.194 -0.457 . . . . 62.530000000000001 111.12 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.76 -4.01 66.99 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.741 -0.742 . . . . 50.299999999999997 112.466 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.26 155.16 16.24 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.734 -0.746 . . . . 75.049999999999997 112.528 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.618 HG23 ' OE1' ' J' ' 15' ' ' GLN . 69.7 t -135.42 139.41 46.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.856 0.36 . . . . 64.209999999999994 111.117 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . . . . . . . . . 27.1 m . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 50.310000000000002 111.123 179.919 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 . . . . . 0 CA--C 1.526 0.051 0 CA-C-O 120.857 0.361 . . . . 75.129999999999995 110.837 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.33 88.46 2.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.138 -0.483 . . . . 74.219999999999999 111.119 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -60.21 -39.09 85.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.26 -0.427 . . . . 51.210000000000001 110.844 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . 0.67 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 4.9 m-85 -142.9 112.89 7.07 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.2 -0.454 . . . . 74.030000000000001 110.844 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 2.1 tpt180 -135.52 108.29 7.52 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.464 . . . . 71.349999999999994 110.867 -179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 5.3 t60 -108.32 118.45 36.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 54.310000000000002 110.869 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -115.17 101.41 8.94 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.232 -0.44 . . . . 75.519999999999996 110.857 -179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 27.9 m -154.02 176.81 11.77 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.175 -0.466 . . . . 72.019999999999996 110.833 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.89 -32.84 6.02 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.703 -0.761 . . . . 73.099999999999994 112.477 -179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 54.1 m-85 -144.69 129.03 17.86 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-O 120.812 0.339 . . . . 72.299999999999997 110.957 -179.82 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -111.19 117.85 34.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.156 -0.474 . . . . 74.120000000000005 110.896 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 43.1 t -131.55 114.02 24.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.108 -0.497 . . . . 72.140000000000001 111.166 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 37.0 m170 -114.9 113.48 24.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 74.340000000000003 110.855 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m170 -125.39 120.59 31.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 64.310000000000002 110.826 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . 0.692 ' OE1' HG23 ' A' ' 39' ' ' VAL . 0.0 OUTLIER -117.25 132.66 56.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 75.239999999999995 110.871 -179.921 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . 0.418 ' C ' HD22 ' F' ' 17' ' ' LEU . 0.9 OUTLIER -132.54 115.82 15.96 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.181 -0.463 . . . . 74.230000000000004 110.885 179.968 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.661 ' HB2' HD13 ' G' ' 17' ' ' LEU . 4.3 mm? -123.2 109.1 13.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.205 -0.452 . . . . 61.039999999999999 110.925 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . 0.524 ' CG1' ' HB2' ' F' ' 21' ' ' ALA . 86.1 t -108.55 112.99 42.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.209 -0.45 . . . . 64.239999999999995 111.092 179.86 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.526 ' CE1' HD12 ' F' ' 17' ' ' LEU . 9.4 m-85 -111.02 106.43 15.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.142 -0.481 . . . . 75.319999999999993 110.865 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . 0.408 ' CD1' ' HA2' ' F' ' 33' ' ' GLY . 8.3 m-85 62.08 80.3 0.23 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.111 -0.495 . . . . 74.430000000000007 110.892 -179.962 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . 0.524 ' HB2' ' CG1' ' F' ' 18' ' ' VAL . . . -112.59 135.49 53.24 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.15 -0.477 . . . . 62.329999999999998 111.053 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 54.84 73.28 0.42 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 71.219999999999999 110.841 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.562 HG13 HG23 ' G' ' 24' ' ' VAL . 4.2 p -112.75 144.48 20.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.228 -0.442 . . . . 72.349999999999994 111.102 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -68.83 -49.04 44.97 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.722 -0.751 . . . . 54.340000000000003 112.505 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 4.0 m -160.92 133.01 5.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.849 0.357 . . . . 63.420000000000002 110.905 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 25.4 m120 -102.9 100.74 10.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.145 -0.479 . . . . 71.219999999999999 110.865 -179.954 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -114.28 167.7 10.47 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.176 -0.466 . . . . 73.25 110.864 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 55.23 -130.69 47.86 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.681 -0.771 . . . . 42.539999999999999 112.539 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.631 ' HB2' ' CE1' ' A' ' 4' ' ' PHE . . . -109.45 111.56 23.16 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.774 0.321 . . . . 64.200000000000003 111.098 179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.801 HG13 HG22 ' G' ' 31' ' ' ILE . 0.0 OUTLIER -123.05 115.15 44.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.249 -0.432 . . . . 71.450000000000003 111.173 179.958 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mt -131.58 121.85 48.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.169 -0.468 . . . . 64.140000000000001 111.127 179.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . 0.408 ' HA2' ' CD1' ' F' ' 20' ' ' PHE . . . -51.38 -50.32 41.56 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.758 -0.734 . . . . 51.420000000000002 112.498 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.813 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -165.77 148.91 7.68 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.848 0.356 . . . . 74.030000000000001 110.873 -179.891 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . 0.403 ' HG3' ' HB3' ' G' ' 35' ' ' MET . 3.5 ttp -132.18 124.5 29.15 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.163 -0.471 . . . . 65.310000000000002 110.877 179.847 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.796 HG11 HG21 ' A' ' 36' ' ' VAL . 84.6 t -144.51 111.04 1.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.23 -0.441 . . . . 72.319999999999993 111.108 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 86.97 -10.37 68.55 Favored Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.722 -0.751 . . . . 54.210000000000001 112.527 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -112.04 158.06 14.55 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.708 -0.758 . . . . 50.350000000000001 112.453 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.699 HG23 ' OE1' ' A' ' 15' ' ' GLN . 92.9 t -133.89 143.14 39.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.886 0.374 . . . . 71.439999999999998 111.108 -179.988 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.536 ' HA ' HG22 ' G' ' 40' ' ' VAL . 24.7 m . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.135 -0.484 . . . . 75.340000000000003 111.154 179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 . . . . . 0 N--CA 1.458 -0.064 0 CA-C-O 120.855 0.36 . . . . 64.040000000000006 110.91 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.11 88.65 2.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 72.030000000000001 111.098 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -59.72 -39.84 86.0 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 51.100000000000001 110.906 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 4' ' ' PHE . . . . . 0.613 ' CE1' ' HB2' ' B' ' 30' ' ' ALA . 7.3 m-85 -145.26 112.06 5.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.134 -0.484 . . . . 73.109999999999999 110.876 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -131.55 108.26 9.43 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.139 -0.482 . . . . 74.129999999999995 110.886 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 6.1 t60 -110.24 117.87 34.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.169 -0.469 . . . . 72.329999999999998 110.848 179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -115.12 101.69 9.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.218 -0.446 . . . . 75.450000000000003 110.861 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . . . . . . . . . 26.2 m -152.64 176.22 11.97 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.247 -0.433 . . . . 71.310000000000002 110.864 -179.766 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.88 -33.39 5.82 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.757 -0.735 . . . . 63.200000000000003 112.507 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 42.3 m-85 -144.58 128.53 17.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.882 0.372 . . . . 74.299999999999997 110.878 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 7.8 tp10 -108.26 117.53 34.4 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.069 -0.514 . . . . 74.129999999999995 110.875 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 43.9 t -128.21 113.85 32.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.18 -0.464 . . . . 75.109999999999999 111.105 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 33.6 m170 -116.8 113.67 22.86 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.2 -0.455 . . . . 65.150000000000006 110.852 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -125.62 122.44 36.45 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 65.030000000000001 110.85 179.99 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . 0.425 ' OE1' HG23 ' B' ' 39' ' ' VAL . 0.0 OUTLIER -117.27 132.51 56.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.18 -0.464 . . . . 61.25 110.928 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . 0.434 ' C ' HD22 ' G' ' 17' ' ' LEU . 1.0 OUTLIER -127.94 116.42 20.06 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.201 -0.454 . . . . 74.150000000000006 110.885 179.993 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.74 ' HB2' HD13 ' H' ' 17' ' ' LEU . 4.4 mm? -124.53 104.75 8.9 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.233 -0.439 . . . . 72.239999999999995 110.9 179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . 0.464 ' CG1' ' HB2' ' G' ' 21' ' ' ALA . 93.5 t -107.33 112.02 38.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 63.340000000000003 111.128 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.644 ' CE1' HD12 ' G' ' 17' ' ' LEU . 7.1 m-85 -110.98 103.12 11.57 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 62.210000000000001 110.86 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . . . . . . . . . 12.5 m-85 61.74 80.33 0.23 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.118 -0.492 . . . . 75.420000000000002 110.878 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . 0.464 ' HB2' ' CG1' ' G' ' 18' ' ' VAL . . . -109.99 133.78 52.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 72.239999999999995 111.137 179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 56.28 73.79 0.42 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.249 -0.432 . . . . 64.150000000000006 110.853 179.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.586 HG13 HG23 ' H' ' 24' ' ' VAL . 2.8 p -111.73 144.1 20.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.23 -0.441 . . . . 42.420000000000002 111.108 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.35 -47.32 36.51 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.734 -0.746 . . . . 75.109999999999999 112.473 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -160.64 131.56 5.51 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.914 0.388 . . . . 71.239999999999995 110.827 -179.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . 0.538 HD22 HG21 ' G' ' 31' ' ' ILE . 20.6 m120 -102.12 99.9 10.08 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.08 -0.509 . . . . 75.450000000000003 110.934 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 1.4 tptp -114.16 170.87 7.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 73.340000000000003 110.917 179.876 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 52.45 -128.22 35.07 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.739 -0.744 . . . . 63.399999999999999 112.518 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.624 ' HB3' ' CE1' ' A' ' 4' ' ' PHE . . . -110.3 112.63 24.71 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.738 0.304 . . . . 52.509999999999998 111.062 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.87 HG13 HG22 ' H' ' 31' ' ' ILE . 0.0 OUTLIER -119.02 113.54 41.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 72.25 111.115 179.97 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -130.42 121.08 50.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 63.200000000000003 111.124 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -58.27 -46.82 92.39 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.747 -0.739 . . . . 73.299999999999997 112.454 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.898 HD22 ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -163.92 147.1 9.73 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.819 0.343 . . . . 72.310000000000002 110.935 -179.889 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.403 ' HB3' ' HG3' ' F' ' 35' ' ' MET . 3.7 ttp -132.54 122.75 25.29 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.17 -0.468 . . . . 62.240000000000002 110.867 179.828 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.761 HG11 HG21 ' B' ' 36' ' ' VAL . 97.3 t -147.65 110.4 0.71 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.264 0 CA-C-N 116.19 -0.459 . . . . 74.430000000000007 111.072 179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.93 -8.7 71.9 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.746 -0.74 . . . . 55.409999999999997 112.466 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -110.18 156.9 15.34 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.747 -0.74 . . . . 35.43 112.506 -179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.632 HG13 ' O ' ' F' ' 39' ' ' VAL . 63.5 t -134.78 139.58 47.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.886 0.374 . . . . 71.549999999999997 111.102 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.536 HG22 ' HA ' ' F' ' 40' ' ' VAL . 27.2 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.125 -0.489 . . . . 75.349999999999994 111.115 179.906 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 . . . . . 0 C--O 1.231 0.089 0 CA-C-O 120.839 0.352 . . . . 61.310000000000002 110.844 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.02 89.18 2.99 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.176 -0.465 . . . . 71.340000000000003 111.136 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.11 -39.65 82.93 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.218 -0.446 . . . . 71.239999999999995 110.911 -179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 4' ' ' PHE . . . . . 0.614 ' CE1' ' HB2' ' C' ' 30' ' ' ALA . 8.5 m-85 -144.5 112.02 6.1 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.132 -0.485 . . . . 74.049999999999997 110.863 -179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -128.99 108.08 10.12 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 74.150000000000006 110.868 -179.911 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 5.7 t60 -111.3 116.28 30.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.169 -0.469 . . . . 72.049999999999997 110.86 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -113.6 101.92 9.79 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.169 -0.469 . . . . 73.420000000000002 110.854 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . . . . . . . . . 24.5 m -153.58 175.79 12.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 71.519999999999996 110.871 -179.762 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.14 -32.47 5.82 Favored Glycine 0 N--CA 1.452 -0.254 0 C-N-CA 120.732 -0.747 . . . . 72.209999999999994 112.466 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 44.5 m-85 -144.85 128.55 17.2 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.833 0.349 . . . . 74.200000000000003 110.918 -179.787 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -107.18 118.22 36.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.135 -0.484 . . . . 71.219999999999999 110.865 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 43.4 t -126.53 113.35 33.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.462 . . . . 73.219999999999999 111.16 179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 33.8 m170 -117.81 113.36 21.69 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 75.409999999999997 110.869 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -125.75 123.03 37.93 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 64.209999999999994 110.869 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . 0.518 ' OE1' HG23 ' C' ' 39' ' ' VAL . 0.0 OUTLIER -118.79 131.89 56.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.229 -0.441 . . . . 71.5 110.92 -179.953 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . 0.475 ' C ' HD22 ' H' ' 17' ' ' LEU . 1.0 OUTLIER -124.87 116.29 22.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.188 -0.46 . . . . 71.439999999999998 110.921 179.984 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.74 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.5 mm? -125.6 102.95 7.59 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.256 -0.429 . . . . 43.119999999999997 110.902 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . 0.46 ' CG1' ' HB2' ' H' ' 21' ' ' ALA . 96.0 t -107.08 112.97 42.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.17 -0.468 . . . . 73.310000000000002 111.155 179.824 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.548 ' CE1' HD12 ' H' ' 17' ' ' LEU . 5.6 m-30 -109.24 100.98 10.03 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.46 . . . . 65.230000000000004 110.866 -179.97 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 60.21 82.42 0.16 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.142 -0.481 . . . . 74.439999999999998 110.883 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . 0.46 ' HB2' ' CG1' ' H' ' 18' ' ' VAL . . . -109.93 134.03 52.54 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.118 -0.492 . . . . 62.100000000000001 111.112 179.945 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 56.86 73.81 0.44 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.232 -0.44 . . . . 74.409999999999997 110.842 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.586 HG23 HG13 ' G' ' 24' ' ' VAL . 3.1 p -111.26 144.15 19.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.246 -0.434 . . . . 72.329999999999998 111.129 -179.978 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.76 -47.22 34.15 Favored Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.784 -0.722 . . . . 71.310000000000002 112.506 179.956 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . . . . . . . . . 3.9 m -159.85 131.5 6.12 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.854 0.359 . . . . 64.109999999999999 110.86 -179.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . 0.615 HD22 HG21 ' H' ' 31' ' ' ILE . 18.8 m120 -102.43 99.97 10.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.101 -0.499 . . . . 72.219999999999999 110.925 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -114.74 171.66 7.51 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.214 -0.448 . . . . 73.450000000000003 110.891 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.94 -129.09 34.69 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.712 -0.756 . . . . 52.5 112.525 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . 0.58 ' HB2' ' CZ ' ' C' ' 4' ' ' PHE . . . -108.16 111.81 24.0 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.779 0.323 . . . . 74.530000000000001 111.091 179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.885 HG13 HG22 ' I' ' 31' ' ' ILE . 0.0 OUTLIER -116.18 111.29 34.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.221 -0.445 . . . . 75.129999999999995 111.101 -179.989 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -128.71 121.22 54.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.168 -0.469 . . . . 71.120000000000005 111.156 179.81 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -60.99 -46.83 93.8 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.747 -0.74 . . . . 55.020000000000003 112.493 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.919 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -161.27 146.07 13.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.827 0.346 . . . . 64.219999999999999 110.941 -179.938 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . . . . . . . . . 4.1 ttp -131.7 121.83 24.9 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.217 -0.447 . . . . 62.450000000000003 110.83 179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.644 HG21 HG11 ' C' ' 36' ' ' VAL . 85.3 t -150.22 109.66 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.253 -0.43 . . . . 55.420000000000002 111.172 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 85.25 -8.32 71.54 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.773 -0.727 . . . . 73.349999999999994 112.484 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.36 156.28 15.69 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.739 -0.743 . . . . 73.349999999999994 112.457 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.628 HG13 ' O ' ' G' ' 39' ' ' VAL . 64.5 t -135.85 138.39 47.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.901 0.382 . . . . 73.120000000000005 111.136 179.977 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . 0.505 HG22 ' HA ' ' G' ' 40' ' ' VAL . 30.3 m . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.179 -0.464 . . . . 75.109999999999999 111.139 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 19.8 m-20 . . . . . 0 C--O 1.231 0.079 0 CA-C-O 120.818 0.342 . . . . 64.319999999999993 110.874 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -106.84 89.2 2.94 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.187 -0.461 . . . . 74.409999999999997 111.081 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.07 -39.51 82.33 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.201 -0.454 . . . . 71.239999999999995 110.93 -179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 4' ' ' PHE . . . . . 0.628 ' CE1' ' HB2' ' D' ' 30' ' ' ALA . 8.3 m-85 -144.04 112.29 6.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.138 -0.483 . . . . 72.049999999999997 110.906 -179.915 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 1.9 tpt180 -126.88 108.48 11.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.141 -0.481 . . . . 73.099999999999994 110.849 -179.897 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 5.6 t60 -113.29 116.31 29.53 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.159 -0.473 . . . . 74.299999999999997 110.885 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -113.49 102.16 10.04 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 71.430000000000007 110.823 -179.975 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . . . . . . . . . 24.9 m -155.08 174.52 15.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 74.310000000000002 110.817 -179.731 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -99.41 -31.9 5.96 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.709 -0.758 . . . . 50.520000000000003 112.477 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 49.0 m-85 -145.06 129.19 17.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.869 0.366 . . . . 73.040000000000006 110.946 -179.825 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 7.1 tp10 -105.88 119.43 39.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.07 -0.513 . . . . 73.040000000000006 110.877 -179.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 43.8 t -125.52 112.57 31.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 75.5 111.118 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 32.2 m170 -118.48 114.06 22.28 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 60.420000000000002 110.829 179.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m170 -125.91 122.25 35.5 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.228 -0.442 . . . . 72.340000000000003 110.82 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . 0.521 ' OE1' HG23 ' D' ' 39' ' ' VAL . 0.0 OUTLIER -118.46 132.12 56.24 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.471 . . . . 72.319999999999993 110.921 -179.951 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . 0.566 ' O ' HD22 ' I' ' 17' ' ' LEU . 1.0 OUTLIER -123.82 116.76 23.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.47 . . . . 61.439999999999998 110.893 179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.728 HD13 ' HB2' ' H' ' 17' ' ' LEU . 4.5 mm? -128.66 101.5 6.17 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.202 -0.454 . . . . 74.230000000000004 110.922 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . 0.479 ' CG1' ' HB2' ' I' ' 21' ' ' ALA . 88.7 t -105.87 113.99 44.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 75.230000000000004 111.107 179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . 0.533 ' HE1' HD12 ' I' ' 17' ' ' LEU . 4.9 m-30 -107.73 98.62 8.18 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.469 . . . . 72.329999999999998 110.881 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . 0.411 ' CD1' ' HA2' ' I' ' 33' ' ' GLY . 7.8 m-85 60.19 84.01 0.13 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.16 -0.473 . . . . 62.549999999999997 110.88 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . 0.479 ' HB2' ' CG1' ' I' ' 18' ' ' VAL . . . -110.97 134.72 52.36 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.125 -0.489 . . . . 53.450000000000003 111.086 179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 56.8 74.02 0.43 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.216 -0.447 . . . . 52.420000000000002 110.874 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.553 HG23 HG13 ' H' ' 24' ' ' VAL . 2.8 p -111.71 143.55 21.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.159 -0.473 . . . . 74.519999999999996 111.131 180.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -71.84 -46.5 37.34 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.738 -0.744 . . . . 63.100000000000001 112.468 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . . . . . . . . . 4.1 m -160.11 131.25 5.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.892 0.377 . . . . 53.450000000000003 110.843 -179.74 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . 0.657 HD22 HG21 ' I' ' 31' ' ' ILE . 19.1 m120 -101.74 99.56 9.81 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 73.439999999999998 110.92 179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 1.5 tptp -114.85 171.97 7.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.148 -0.478 . . . . 62.310000000000002 110.895 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 51.92 -129.06 34.6 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.773 -0.727 . . . . 75.230000000000004 112.52 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.604 ' HB2' ' CZ ' ' D' ' 4' ' ' PHE . . . -107.26 111.67 24.16 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.703 0.287 . . . . 73.040000000000006 111.11 179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.885 HG22 HG13 ' H' ' 31' ' ' ILE . 0.0 OUTLIER -114.15 110.58 32.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.225 -0.443 . . . . 74.140000000000001 111.088 179.982 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . . . . . . . . . 3.4 mt -127.81 120.3 53.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.18 -0.464 . . . . 73.519999999999996 111.165 179.803 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . 0.411 ' HA2' ' CD1' ' I' ' 20' ' ' PHE . . . -62.18 -45.79 95.31 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.748 . . . . 35.420000000000002 112.513 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.932 HD22 ' O ' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -160.87 145.44 13.91 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.807 0.336 . . . . 62.229999999999997 110.906 -179.932 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . . . . . . . . . 4.2 ttp -132.02 120.78 22.88 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.192 -0.458 . . . . 63.229999999999997 110.905 179.78 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.64 ' O ' HG13 ' J' ' 36' ' ' VAL . 89.7 t -150.74 109.06 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.248 -0.433 . . . . 50.43 111.107 179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 83.85 -6.97 72.05 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.742 -0.742 . . . . 62.509999999999998 112.454 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.0 155.07 16.24 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.769 -0.729 . . . . 54.100000000000001 112.507 -179.88 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 0.62 HG13 ' O ' ' H' ' 39' ' ' VAL . 69.1 t -136.12 137.36 48.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-O 120.813 0.34 . . . . 71.200000000000003 111.158 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . 0.458 HG22 ' HA ' ' H' ' 40' ' ' VAL . 30.4 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.202 -0.453 . . . . 74.230000000000004 111.171 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 19.3 m-20 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.889 0.376 . . . . 74.030000000000001 110.833 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -107.27 88.87 2.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.174 -0.467 . . . . 63.32 111.073 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -59.2 -38.82 80.82 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.213 -0.449 . . . . 73.239999999999995 110.845 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' J' J ' 4' ' ' PHE . . . . . 0.601 ' CZ ' ' HB2' ' E' ' 30' ' ' ALA . 6.2 m-85 -144.47 114.02 7.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 62.240000000000002 110.86 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 1.6 tpt180 -126.27 106.31 9.44 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.469 . . . . 73.340000000000003 110.875 -179.901 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 5.4 t60 -114.66 114.64 25.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.218 -0.446 . . . . 73.319999999999993 110.885 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -110.69 101.21 9.87 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 73.549999999999997 110.918 179.951 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 27.0 m -155.32 170.25 22.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 73.239999999999995 110.896 -179.754 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -97.44 -30.46 7.29 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.771 -0.728 . . . . 71.219999999999999 112.481 -179.985 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -146.18 127.91 15.27 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.823 0.344 . . . . 73.340000000000003 110.966 -179.816 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -105.5 119.89 40.24 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 73.519999999999996 110.902 179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 44.4 t -123.67 113.41 37.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 61.210000000000001 111.138 179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 29.6 m170 -118.83 113.0 20.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.469 . . . . 62.020000000000003 110.826 179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -124.74 123.45 40.01 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 74.019999999999996 110.863 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . 0.618 ' OE1' HG23 ' E' ' 39' ' ' VAL . 0.0 OUTLIER -120.22 135.06 55.11 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.464 . . . . 73.450000000000003 110.926 -179.961 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . 0.56 ' O ' HD22 ' J' ' 17' ' ' LEU . 0.9 OUTLIER -123.63 116.11 22.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 74.450000000000003 110.899 179.92 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.618 HD13 ' HB2' ' I' ' 17' ' ' LEU . 4.3 mm? -129.03 102.67 6.6 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.188 -0.46 . . . . 74.040000000000006 110.949 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . 0.481 ' CG1' ' HB2' ' J' ' 21' ' ' ALA . 93.1 t -105.25 115.38 46.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.254 -0.43 . . . . 63.329999999999998 111.116 179.841 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.561 ' HE1' HD12 ' J' ' 17' ' ' LEU . 4.8 m-30 -107.84 95.9 6.01 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 74.519999999999996 110.912 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . 0.414 ' CD1' ' HA2' ' J' ' 33' ' ' GLY . 7.0 m-85 60.66 82.83 0.15 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.141 -0.481 . . . . 75.040000000000006 110.872 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . 0.481 ' HB2' ' CG1' ' J' ' 18' ' ' VAL . . . -108.02 135.49 49.3 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 54.240000000000002 111.12 179.948 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 54.35 74.75 0.32 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.25 -0.432 . . . . 74.109999999999999 110.86 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.41 HG23 HG13 ' I' ' 24' ' ' VAL . 3.1 p -110.41 142.75 21.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 CA-C-N 116.178 -0.464 . . . . 73.409999999999997 111.097 -179.986 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -73.27 -45.61 30.11 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.734 -0.746 . . . . 74.420000000000002 112.5 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 4.2 m -161.0 131.52 5.21 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.894 0.378 . . . . 63.149999999999999 110.844 -179.759 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . 0.581 HD22 HG21 ' J' ' 31' ' ' ILE . 22.7 m120 -100.59 98.82 9.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.124 -0.489 . . . . 74.319999999999993 110.898 -179.968 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 1.2 tptp -114.78 171.28 7.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 73.420000000000002 110.89 179.912 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . 0.409 ' HA2' ' HA ' ' E' ' 3' ' ' GLU . . . 52.42 -131.9 38.77 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.76 -0.733 . . . . 53.43 112.459 179.887 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 0.563 ' HB2' ' CZ ' ' E' ' 4' ' ' PHE . . . -103.64 113.15 26.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.761 0.315 . . . . 60.109999999999999 111.149 179.946 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.756 HG22 HG13 ' I' ' 31' ' ' ILE . 0.0 OUTLIER -111.3 113.36 44.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.245 -0.434 . . . . 74.549999999999997 111.125 -179.985 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -130.13 113.67 26.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.224 -0.444 . . . . 62.020000000000003 111.136 179.855 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . 0.414 ' HA2' ' CD1' ' J' ' 20' ' ' PHE . . . -60.78 -41.06 98.96 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.719 -0.753 . . . . 65.230000000000004 112.462 179.934 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.812 HD22 ' O ' ' J' ' 34' ' ' LEU . 0.0 OUTLIER -163.73 144.22 8.66 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-O 120.835 0.35 . . . . 74.239999999999995 110.912 -179.867 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . . . . . . . . . 4.0 ttp -133.04 120.72 21.7 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.202 -0.454 . . . . 73.319999999999993 110.87 179.824 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.64 HG13 ' O ' ' I' ' 36' ' ' VAL . 95.9 t -151.48 108.42 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.183 -0.462 . . . . 75.319999999999993 111.158 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 79.9 -3.85 68.36 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.774 -0.727 . . . . 51.130000000000003 112.507 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -109.76 155.0 16.31 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.728 -0.749 . . . . 73.109999999999999 112.487 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.585 HG23 ' OE1' ' E' ' 15' ' ' GLN . 72.4 t -136.29 140.5 43.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 120.823 0.344 . . . . 73.439999999999998 111.152 -179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . . . . . . . . . 24.9 m . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.167 -0.47 . . . . 71.049999999999997 111.104 179.968 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.805 0.336 . . . . 73.409999999999997 110.876 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.93 101.87 6.27 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 62.310000000000002 111.121 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.07 -34.31 77.38 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.2 -0.454 . . . . 73.030000000000001 110.882 -179.869 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' PHE . . . . . 0.677 ' CE1' ' HB2' ' F' ' 30' ' ' ALA . 5.9 m-85 -147.27 113.02 5.71 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.116 -0.493 . . . . 64.420000000000002 110.917 -179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -137.8 108.01 6.43 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 75.019999999999996 110.853 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' HIS . . . . . . . . . . . . . 82.1 t60 -112.73 109.36 18.81 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.174 -0.467 . . . . 65.530000000000001 110.882 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 56.1 t0 -110.69 101.98 10.58 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.211 -0.45 . . . . 50.229999999999997 110.908 179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 43.5 m -145.51 176.88 9.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.175 -0.466 . . . . 72.140000000000001 110.9 -179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.34 -7.27 43.42 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.777 -0.725 . . . . 74.030000000000001 112.47 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.47 117.52 0.35 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.849 0.357 . . . . 74.329999999999998 110.929 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.55 119.88 36.92 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.118 -0.492 . . . . 70.239999999999995 110.909 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' VAL . . . . . . . . . . . . . 93.8 t -135.58 114.01 15.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.135 -0.484 . . . . 62.350000000000001 111.103 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 40.6 m170 -126.16 131.79 51.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.215 -0.448 . . . . 74.129999999999995 110.85 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 7.9 m-70 -138.94 121.59 16.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.244 -0.434 . . . . 74.230000000000004 110.846 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -129.92 135.38 48.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.19 -0.459 . . . . 71.019999999999996 110.898 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -130.11 122.33 28.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.217 -0.447 . . . . 54.140000000000001 110.923 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LEU . . . . . 0.623 ' HB2' HD13 ' B' ' 17' ' ' LEU . 3.9 mm? -117.26 104.28 11.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.249 -0.432 . . . . 61.240000000000002 110.923 179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 61.5 t -107.39 116.48 51.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 74.340000000000003 111.17 179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' PHE . . . . . 0.605 ' HE1' HD12 ' A' ' 17' ' ' LEU . 8.4 m-85 -101.22 107.91 19.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 63.200000000000003 110.891 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PHE . . . . . 0.552 ' C ' ' O ' ' A' ' 19' ' ' PHE . 7.3 p90 24.2 79.63 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.165 -0.471 . . . . 75.420000000000002 110.815 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.72 149.38 29.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.131 -0.486 . . . . 71.319999999999993 111.118 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ASP . . . . . . . . . . . . . 24.5 t0 63.85 66.4 0.66 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.216 -0.447 . . . . 64.329999999999998 110.856 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' VAL . . . . . 0.756 HG13 HG23 ' B' ' 24' ' ' VAL . 4.5 p -110.71 144.17 19.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 74.299999999999997 111.122 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . -54.57 -50.03 58.8 Favored Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.717 -0.754 . . . . 60.340000000000003 112.518 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' SER . . . . . . . . . . . . . 11.9 m -160.53 129.96 5.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.856 0.36 . . . . 75.219999999999999 110.867 -179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ASN . . . . . . . . . . . . . 18.2 m-20 -100.48 102.29 13.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 74.140000000000001 110.881 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.23 149.67 35.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.221 -0.445 . . . . 73.409999999999997 110.868 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.79 -133.32 20.84 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.737 -0.745 . . . . 43.0 112.459 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.669 ' HB2' ' CE1' ' F' ' 4' ' ' PHE . . . -105.76 114.27 28.33 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.773 0.32 . . . . 74.200000000000003 111.119 179.982 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ILE . . . . . 0.524 ' N ' HD13 ' A' ' 31' ' ' ILE . 0.0 OUTLIER -121.17 112.11 34.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 72.310000000000002 111.126 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 3.5 mt -129.24 121.15 53.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 74.519999999999996 111.149 179.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLY . . . . . . . . . . . . . . . -59.32 -48.7 84.66 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.757 -0.735 . . . . 53.020000000000003 112.458 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LEU . . . . . 0.831 HD22 ' O ' ' A' ' 34' ' ' LEU . 0.0 OUTLIER -160.73 147.59 15.41 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.839 0.352 . . . . 74.019999999999996 110.873 -179.88 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' MET . . . . . . . . . . . . . 4.9 mtp -135.99 123.32 21.89 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 73.540000000000006 110.89 179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' VAL . . . . . 0.595 HG11 HG21 ' F' ' 36' ' ' VAL . 74.1 t -129.11 113.38 28.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.276 -0.42 . . . . 72.420000000000002 111.142 179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLY . . . . . . . . . . . . . . . 72.14 17.81 77.53 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.75 -0.738 . . . . 54.240000000000002 112.482 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.18 -171.1 29.67 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.765 -0.731 . . . . 64.109999999999999 112.473 -179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' VAL . . . . . 0.886 HG13 HG23 ' B' ' 39' ' ' VAL . 14.6 p -169.18 150.45 1.01 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-O 120.884 0.373 . . . . 61.310000000000002 111.092 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' VAL . . . . . 0.407 ' HA ' HG22 ' B' ' 40' ' ' VAL . 34.9 m . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.481 . . . . 70.519999999999996 111.121 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 1' ' ' ASP . . . . . . . . . . . . . 56.2 m-20 . . . . . 0 C--O 1.231 0.092 0 CA-C-O 120.782 0.325 . . . . 61.310000000000002 110.894 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.98 101.99 6.31 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.223 -0.444 . . . . 53.420000000000002 111.116 179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.64 -32.32 72.95 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.226 -0.443 . . . . 63.009999999999998 110.895 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 4' ' ' PHE . . . . . 0.66 ' CE1' ' HB2' ' G' ' 30' ' ' ALA . 6.8 m-85 -149.0 111.83 4.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 74.310000000000002 110.854 -179.925 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 5' ' ' ARG . . . . . . . . . . . . . 2.4 mmt180 -133.41 108.04 8.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.203 -0.453 . . . . 74.420000000000002 110.865 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 6' ' ' HIS . . . . . . . . . . . . . 80.7 t60 -114.22 109.37 18.29 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.449 . . . . 62.329999999999998 110.879 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 7' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -111.87 102.13 10.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 73.239999999999995 110.861 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 8' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' C' ' 8' ' ' SER . 43.5 m -145.91 176.34 9.76 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.207 -0.451 . . . . 73.420000000000002 110.855 -179.767 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.54 -7.31 42.74 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.751 -0.738 . . . . 73.200000000000003 112.493 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.4 116.05 0.33 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.847 0.356 . . . . 63.149999999999999 110.908 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.45 119.59 34.23 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.153 -0.476 . . . . 75.099999999999994 110.896 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 12' ' ' VAL . . . . . . . . . . . . . 95.5 t -133.22 114.22 20.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.173 -0.467 . . . . 74.209999999999994 111.115 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 13' ' ' HIS . . . . . . . . . . . . . 41.9 m170 -125.08 132.61 53.13 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 74.019999999999996 110.897 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -136.35 122.87 20.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.227 -0.442 . . . . 75.310000000000002 110.835 -179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -129.69 132.62 46.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 63.409999999999997 110.87 -179.892 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -128.69 121.75 29.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.211 -0.449 . . . . 72.049999999999997 110.898 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 17' ' ' LEU . . . . . 0.623 HD13 ' HB2' ' A' ' 17' ' ' LEU . 4.1 mm? -120.06 102.29 8.43 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 75.239999999999995 110.886 179.897 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 18' ' ' VAL . . . . . . . . . . . . . 60.9 t -105.91 116.12 49.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 75.129999999999995 111.087 179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' PHE . . . . . 0.594 ' HE1' HD12 ' B' ' 17' ' ' LEU . 6.1 m-30 -101.08 99.88 10.38 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.47 . . . . 74.349999999999994 110.911 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' PHE . . . . . 0.515 ' C ' ' O ' ' B' ' 19' ' ' PHE . 9.8 p90 27.3 79.22 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.128 -0.487 . . . . 61.439999999999998 110.858 -179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.03 149.85 27.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.102 -0.499 . . . . 54.439999999999998 111.097 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' ASP . . . . . . . . . . . . . 25.0 t0 64.35 66.93 0.6 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.199 -0.455 . . . . 52.210000000000001 110.857 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' VAL . . . . . 0.798 HG13 HG23 ' C' ' 24' ' ' VAL . 3.5 p -110.17 142.98 21.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 52.439999999999998 111.126 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.8 -48.18 73.84 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.803 -0.713 . . . . 75.140000000000001 112.51 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' SER . . . . . 0.405 ' H ' HG22 ' B' ' 24' ' ' VAL . 10.5 m -160.64 128.51 4.47 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.874 0.368 . . . . 64.230000000000004 110.879 -179.734 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' ASN . . . . . . . . . . . . . 22.0 m-20 -100.04 101.71 12.86 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 72.409999999999997 110.878 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.82 152.32 30.82 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.135 -0.484 . . . . 72.530000000000001 110.904 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.54 -132.04 22.3 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.75 -0.738 . . . . 72.120000000000005 112.492 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.641 ' HB2' ' CE1' ' G' ' 4' ' ' PHE . . . -107.62 114.21 28.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.789 0.328 . . . . 71.519999999999996 111.053 -179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' ILE . . . . . 0.548 ' N ' HD13 ' B' ' 31' ' ' ILE . 0.0 OUTLIER -118.8 111.94 35.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.241 -0.436 . . . . 74.430000000000007 111.137 179.953 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.417 HG21 ' HG3' ' B' ' 35' ' ' MET . 3.5 mt -127.62 123.69 61.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 74.099999999999994 111.157 179.841 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.96 -49.38 76.01 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.78 -0.724 . . . . 60.020000000000003 112.47 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' LEU . . . . . 0.909 HD22 ' O ' ' B' ' 34' ' ' LEU . 0.0 OUTLIER -156.91 147.34 21.33 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.809 0.338 . . . . 70.540000000000006 110.901 -179.885 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' MET . . . . . 0.417 ' HG3' HG21 ' B' ' 32' ' ' ILE . 5.0 mtp -131.07 123.08 27.9 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 51.109999999999999 110.903 179.806 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' VAL . . . . . 0.782 HG11 HG21 ' G' ' 36' ' ' VAL . 91.1 t -134.73 112.31 15.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.218 -0.446 . . . . 64.010000000000005 111.137 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' GLY . . . . . . . . . . . . . . . 66.98 19.15 69.58 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 74.109999999999999 112.474 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.71 -171.7 33.07 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.711 -0.757 . . . . 65.510000000000005 112.452 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' VAL . . . . . 0.886 HG23 HG13 ' A' ' 39' ' ' VAL . 14.8 p -168.28 149.62 1.2 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-O 120.869 0.366 . . . . 64.310000000000002 111.115 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' VAL . . . . . 0.415 ' HA ' HG22 ' C' ' 40' ' ' VAL . 35.3 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 70.430000000000007 111.099 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 1' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.77 0.319 . . . . 74.010000000000005 110.869 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.69 102.42 6.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.213 -0.449 . . . . 73.439999999999998 111.153 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.75 -31.96 72.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.265 -0.425 . . . . 73.519999999999996 110.9 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 4' ' ' PHE . . . . . 0.637 ' CE1' ' HB2' ' H' ' 30' ' ' ALA . 7.2 m-85 -149.37 111.31 4.59 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.115 -0.493 . . . . 71.049999999999997 110.883 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 5' ' ' ARG . . . . . . . . . . . . . 2.2 mmt180 -131.25 108.2 9.52 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.159 -0.473 . . . . 64.439999999999998 110.915 -179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 6' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -116.18 109.11 17.01 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.18 -0.464 . . . . 71.400000000000006 110.837 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 7' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -111.61 102.15 10.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 74.420000000000002 110.892 179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 8' ' ' SER . . . . . 0.405 ' HA ' ' O ' ' B' ' 8' ' ' SER . 45.9 m -145.88 175.97 10.03 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 43.509999999999998 110.872 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.36 -7.05 40.88 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.764 -0.731 . . . . 73.109999999999999 112.477 -179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -172.29 115.85 0.33 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.819 0.342 . . . . 74.439999999999998 110.913 -179.836 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.7 119.92 34.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.094 -0.503 . . . . 75.219999999999999 110.891 -179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 12' ' ' VAL . . . . . . . . . . . . . 99.4 t -132.11 113.94 22.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.141 -0.481 . . . . 71.530000000000001 111.113 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 13' ' ' HIS . . . . . . . . . . . . . 43.2 m170 -124.86 132.5 53.31 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 72.420000000000002 110.893 179.897 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -135.27 123.45 22.99 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.459 . . . . 70.329999999999998 110.854 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -129.97 132.2 46.22 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.215 -0.448 . . . . 73.540000000000006 110.895 -179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 16' ' ' LYS . . . . . 0.405 ' O ' HD22 ' C' ' 17' ' ' LEU . 10.9 tttp -127.71 121.79 31.23 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.247 -0.433 . . . . 64.319999999999993 110.93 179.894 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 17' ' ' LEU . . . . . 0.606 HD13 ' HB2' ' B' ' 17' ' ' LEU . 4.0 mm? -123.31 101.28 7.27 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.438 . . . . 71.450000000000003 110.926 179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 18' ' ' VAL . . . . . . . . . . . . . 58.8 t -105.91 117.35 51.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 61.030000000000001 111.12 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' PHE . . . . . 0.569 ' HE1' HD12 ' C' ' 17' ' ' LEU . 4.6 m-30 -101.14 98.75 9.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.182 -0.463 . . . . 72.049999999999997 110.877 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' PHE . . . . . 0.522 ' C ' ' O ' ' C' ' 19' ' ' PHE . 9.8 p90 26.95 78.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.159 -0.473 . . . . 73.219999999999999 110.881 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.1 149.65 26.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 71.040000000000006 111.12 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t0 64.16 67.22 0.6 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.238 -0.437 . . . . 75.349999999999994 110.843 179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 24' ' ' VAL . . . . . 0.798 HG23 HG13 ' B' ' 24' ' ' VAL . 3.4 p -110.06 142.72 21.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.207 -0.452 . . . . 73.439999999999998 111.089 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.76 -47.37 86.14 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.712 -0.756 . . . . 73.219999999999999 112.484 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 26' ' ' SER . . . . . 0.417 ' H ' HG22 ' C' ' 24' ' ' VAL . 11.4 m -160.19 128.03 4.64 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.853 0.358 . . . . 43.030000000000001 110.847 -179.745 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 27' ' ' ASN . . . . . 0.411 ' OD1' HG11 ' C' ' 24' ' ' VAL . 22.9 m-20 -101.03 101.14 11.85 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.13 -0.486 . . . . 75.239999999999995 110.876 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.03 152.47 30.94 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.171 -0.468 . . . . 73.219999999999999 110.883 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.54 -132.67 20.65 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.744 -0.741 . . . . 61.43 112.493 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . 0.644 ' HB2' ' CE1' ' H' ' 4' ' ' PHE . . . -106.54 113.77 27.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.749 0.309 . . . . 73.120000000000005 111.085 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 31' ' ' ILE . . . . . 0.551 ' N ' HD13 ' C' ' 31' ' ' ILE . 0.0 OUTLIER -118.09 111.15 33.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.253 -0.43 . . . . 65.109999999999999 111.134 179.973 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.465 HG21 ' HG3' ' C' ' 35' ' ' MET . 3.4 mt -126.84 123.47 62.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.185 -0.461 . . . . 64.329999999999998 111.181 179.818 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.2 -49.61 73.09 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.733 -0.746 . . . . 61.509999999999998 112.448 179.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 34' ' ' LEU . . . . . 0.896 HD22 ' O ' ' C' ' 34' ' ' LEU . 0.0 OUTLIER -155.54 146.19 22.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.815 0.341 . . . . 60.340000000000003 110.909 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' C' C ' 35' ' ' MET . . . . . 0.465 ' HG3' HG21 ' C' ' 32' ' ' ILE . 5.0 mtp -129.02 122.68 30.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.222 -0.445 . . . . 75.219999999999999 110.907 179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 36' ' ' VAL . . . . . 0.838 HG21 HG11 ' H' ' 36' ' ' VAL . 93.9 t -136.01 111.52 11.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.219 -0.446 . . . . 75.150000000000006 111.163 179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.04 20.73 67.21 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.804 -0.712 . . . . 70.299999999999997 112.488 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.0 -171.74 34.07 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.658 -0.782 . . . . 72.109999999999999 112.48 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 39' ' ' VAL . . . . . 0.887 HG13 HG23 ' D' ' 39' ' ' VAL . 14.8 p -167.61 149.47 1.37 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-O 120.876 0.37 . . . . 75.230000000000004 111.117 -179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 40' ' ' VAL . . . . . 0.442 ' HA ' HG22 ' D' ' 40' ' ' VAL . 35.9 m . . . . . 0 C--N 1.33 -0.268 0 CA-C-N 116.144 -0.48 . . . . 71.329999999999998 111.11 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 1' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.795 0.331 . . . . 63.530000000000001 110.873 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.96 102.5 6.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 73.120000000000005 111.125 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 3' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -67.14 -32.19 73.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.192 -0.458 . . . . 42.329999999999998 110.897 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 4' ' ' PHE . . . . . 0.658 ' CE1' ' HB2' ' I' ' 30' ' ' ALA . 7.0 m-85 -148.97 110.83 4.56 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.162 -0.472 . . . . 74.549999999999997 110.914 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 5' ' ' ARG . . . . . . . . . . . . . 1.8 mmt180 -129.75 108.09 9.91 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.164 -0.471 . . . . 62.329999999999998 110.855 -179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 6' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -118.2 108.92 15.74 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 74.409999999999997 110.881 179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 7' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -110.38 102.34 10.98 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 73.239999999999995 110.83 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 8' ' ' SER . . . . . 0.4 ' HA ' ' O ' ' C' ' 8' ' ' SER . 48.0 m -146.14 174.34 11.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.189 -0.46 . . . . 71.239999999999995 110.841 -179.756 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.02 -6.14 40.11 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.741 -0.743 . . . . 73.25 112.494 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -171.89 116.44 0.38 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.8 0.333 . . . . 73.400000000000006 110.883 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.11 121.85 36.03 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.123 -0.49 . . . . 75.239999999999995 110.894 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 12' ' ' VAL . . . . . . . . . . . . . 98.8 t -131.95 114.01 23.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.151 -0.477 . . . . 74.219999999999999 111.084 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 13' ' ' HIS . . . . . . . . . . . . . 47.4 m170 -126.4 132.41 51.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.167 -0.47 . . . . 75.519999999999996 110.874 179.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -134.91 123.76 23.93 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.199 -0.455 . . . . 72.25 110.826 -179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -130.41 131.32 45.2 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 74.239999999999995 110.918 -179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 16' ' ' LYS . . . . . 0.468 ' O ' HD22 ' D' ' 17' ' ' LEU . 11.3 tttp -126.42 120.5 29.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.183 -0.462 . . . . 64.409999999999997 110.902 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 17' ' ' LEU . . . . . 0.56 HD12 ' HE1' ' D' ' 19' ' ' PHE . 3.8 mm? -125.5 100.37 6.44 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 62.25 110.904 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 18' ' ' VAL . . . . . . . . . . . . . 59.5 t -105.86 119.01 54.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.233 -0.439 . . . . 73.319999999999993 111.138 179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 19' ' ' PHE . . . . . 0.56 ' HE1' HD12 ' D' ' 17' ' ' LEU . 4.0 m-30 -100.93 97.01 7.65 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.182 -0.463 . . . . 74.010000000000005 110.91 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 20' ' ' PHE . . . . . 0.523 ' C ' ' O ' ' D' ' 19' ' ' PHE . 10.0 p90 27.22 77.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 63.240000000000002 110.901 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 21' ' ' ALA . . . . . . . . . . . . . . . -105.37 149.63 25.93 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.115 -0.493 . . . . 71.299999999999997 111.109 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 23' ' ' ASP . . . . . . . . . . . . . 25.1 t0 64.01 67.72 0.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.212 -0.449 . . . . 63.229999999999997 110.888 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 24' ' ' VAL . . . . . 0.797 HG13 HG23 ' E' ' 24' ' ' VAL . 3.5 p -110.53 142.44 22.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.165 -0.47 . . . . 74.409999999999997 111.097 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.45 -47.05 90.95 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.768 -0.729 . . . . 41.229999999999997 112.495 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 26' ' ' SER . . . . . 0.415 ' H ' HG22 ' D' ' 24' ' ' VAL . 10.1 m -160.43 126.93 4.19 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.916 0.389 . . . . 62.310000000000002 110.851 -179.695 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 27' ' ' ASN . . . . . . . . . . . . . 25.1 m-20 -101.01 102.65 13.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 75.439999999999998 110.882 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.97 152.5 30.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.164 -0.471 . . . . 74.310000000000002 110.874 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.83 -132.57 19.89 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.717 -0.754 . . . . 33.43 112.515 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.664 ' HB2' ' CE1' ' I' ' 4' ' ' PHE . . . -106.91 113.43 26.92 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.751 0.31 . . . . 74.430000000000007 111.11 179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 31' ' ' ILE . . . . . 0.557 ' N ' HD13 ' D' ' 31' ' ' ILE . 0.0 OUTLIER -116.97 111.25 34.28 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.241 -0.436 . . . . 72.450000000000003 111.121 -179.99 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.495 HG21 ' HG3' ' D' ' 35' ' ' MET . 3.3 mt -126.06 123.53 64.12 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.342 0 CA-C-N 116.18 -0.463 . . . . 74.319999999999993 111.133 179.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.99 -51.38 57.45 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.757 -0.735 . . . . 44.25 112.521 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 34' ' ' LEU . . . . . 0.91 HD22 ' O ' ' D' ' 34' ' ' LEU . 0.0 OUTLIER -153.42 144.71 23.09 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.845 0.355 . . . . 73.200000000000003 110.927 -179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' D' D ' 35' ' ' MET . . . . . 0.495 ' HG3' HG21 ' D' ' 32' ' ' ILE . 5.0 mtp -128.68 122.05 29.92 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.166 -0.47 . . . . 73.219999999999999 110.874 179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 36' ' ' VAL . . . . . 0.867 HG11 HG21 ' I' ' 36' ' ' VAL . 98.9 t -136.96 111.0 9.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.271 -0.422 . . . . 73.239999999999995 111.128 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.04 20.05 66.48 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.681 -0.771 . . . . 41.329999999999998 112.488 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.1 -171.37 35.33 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.749 -0.739 . . . . 74.510000000000005 112.523 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 39' ' ' VAL . . . . . 0.887 HG23 HG13 ' C' ' 39' ' ' VAL . 14.5 p -166.87 150.32 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.872 0.368 . . . . 42.350000000000001 111.085 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 40' ' ' VAL . . . . . 0.482 ' HA ' HG22 ' E' ' 40' ' ' VAL . 35.7 m . . . . . 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 74.239999999999995 111.115 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 1' ' ' ASP . . . . . . . . . . . . . 55.2 m-20 . . . . . 0 C--O 1.231 0.082 0 CA-C-O 120.781 0.324 . . . . 45.240000000000002 110.921 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' E' E ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.31 102.45 6.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 71.299999999999997 111.073 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 3' ' ' GLU . . . . . 0.422 ' HA ' ' HA2' ' J' ' 29' ' ' GLY . 1.7 mp0 -65.81 -31.34 72.24 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.184 -0.462 . . . . 64.230000000000004 110.93 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 4' ' ' PHE . . . . . 0.61 ' CE1' ' HB2' ' J' ' 30' ' ' ALA . 7.2 m-85 -148.69 113.4 5.38 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 63.329999999999998 110.885 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 5' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -129.52 106.42 8.74 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.146 -0.479 . . . . 73.439999999999998 110.863 -179.872 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 6' ' ' HIS . . . . . . . . . . . . . 79.1 t60 -118.83 109.08 15.61 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 75.120000000000005 110.86 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 7' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -108.38 101.45 10.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.17 -0.468 . . . . 70.510000000000005 110.881 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 8' ' ' SER . . . . . . . . . . . . . 47.5 m -148.47 169.6 19.87 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 74.519999999999996 110.835 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.15 -5.57 43.45 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.711 -0.757 . . . . 74.030000000000001 112.486 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -170.93 115.21 0.44 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.87 0.366 . . . . 74.099999999999994 110.895 -179.815 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.91 123.71 38.54 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 52.149999999999999 110.894 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 12' ' ' VAL . . . . . . . . . . . . . 92.8 t -129.89 115.17 32.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.15 -0.477 . . . . 73.310000000000002 111.105 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 13' ' ' HIS . . . . . . . . . . . . . 46.4 m170 -126.33 133.48 51.36 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.171 -0.468 . . . . 71.329999999999998 110.865 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 14' ' ' HIS . . . . . . . . . . . . . 8.4 m-70 -134.58 124.35 25.3 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.469 . . . . 74.209999999999994 110.862 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -131.94 132.6 43.68 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.187 -0.46 . . . . 73.430000000000007 110.922 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 16' ' ' LYS . . . . . 0.548 ' O ' HD22 ' E' ' 17' ' ' LEU . 10.5 tttp -126.96 120.58 29.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.19 -0.459 . . . . 65.219999999999999 110.896 179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 17' ' ' LEU . . . . . 0.548 HD22 ' O ' ' E' ' 16' ' ' LYS . 3.8 mm? -128.0 100.06 5.74 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.453 . . . . 72.340000000000003 110.92 179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 18' ' ' VAL . . . . . . . . . . . . . 60.3 t -104.4 120.67 55.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.226 -0.443 . . . . 71.439999999999998 111.09 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 19' ' ' PHE . . . . . 0.532 ' HE1' HD12 ' E' ' 17' ' ' LEU . 3.5 m-30 -103.5 95.95 6.41 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.461 . . . . 73.129999999999995 110.909 179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 20' ' ' PHE . . . . . 0.511 ' C ' ' O ' ' E' ' 19' ' ' PHE . 12.3 p90 29.02 75.55 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.483 . . . . 73.010000000000005 110.839 -179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.84 147.08 27.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 72.209999999999994 111.083 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 23' ' ' ASP . . . . . . . . . . . . . 24.6 t0 62.27 69.13 0.63 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.201 -0.454 . . . . 72.5 110.887 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 24' ' ' VAL . . . . . 0.797 HG23 HG13 ' D' ' 24' ' ' VAL . 4.2 p -110.19 141.66 24.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 64.439999999999998 111.114 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 25' ' ' GLY . . . . . . . . . . . . . . . -58.34 -47.04 92.0 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.756 -0.735 . . . . 55.240000000000002 112.493 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 26' ' ' SER . . . . . . . . . . . . . 10.8 m -160.59 126.3 3.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 71.420000000000002 110.882 -179.738 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 27' ' ' ASN . . . . . . . . . . . . . 26.3 m-20 -101.33 102.84 13.76 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 74.25 110.898 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -114.14 152.77 30.64 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.108 -0.496 . . . . 72.310000000000002 110.945 179.893 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.75 -134.01 21.68 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.736 -0.745 . . . . 74.030000000000001 112.478 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 30' ' ' ALA . . . . . 0.638 ' HB2' ' CZ ' ' J' ' 4' ' ' PHE . . . -103.85 113.7 27.42 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.743 0.306 . . . . 51.140000000000001 111.136 179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 31' ' ' ILE . . . . . 0.481 ' N ' HD13 ' E' ' 31' ' ' ILE . 0.0 OUTLIER -115.95 112.75 40.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 73.450000000000003 111.123 179.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' E' E ' 32' ' ' ILE . . . . . 0.558 HG21 ' HG3' ' E' ' 35' ' ' MET . 3.3 mt -128.04 120.58 54.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 74.239999999999995 111.118 179.858 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 33' ' ' GLY . . . . . . . . . . . . . . . -61.6 -47.8 88.34 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.749 -0.738 . . . . 62.340000000000003 112.459 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 34' ' ' LEU . . . . . 0.85 ' N ' HD13 ' E' ' 34' ' ' LEU . 0.0 OUTLIER -153.32 148.14 26.44 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.849 0.357 . . . . 74.030000000000001 110.933 -179.898 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' E' E ' 35' ' ' MET . . . . . 0.558 ' HG3' HG21 ' E' ' 32' ' ' ILE . 4.9 mtp -134.21 120.12 19.64 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.208 -0.451 . . . . 63.229999999999997 110.847 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 36' ' ' VAL . . . . . 0.724 HG11 HG21 ' J' ' 36' ' ' VAL . 93.8 t -138.0 111.18 7.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 74.010000000000005 111.144 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.84 21.21 63.0 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.761 -0.733 . . . . 64.319999999999993 112.485 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.9 -171.16 35.56 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.725 -0.75 . . . . 71.219999999999999 112.46 -179.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' E' E ' 39' ' ' VAL . . . . . 0.805 HG23 HG13 ' D' ' 39' ' ' VAL . 14.7 p -166.9 150.03 1.56 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-O 120.845 0.355 . . . . 72.230000000000004 111.131 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' E' E ' 40' ' ' VAL . . . . . 0.482 HG22 ' HA ' ' D' ' 40' ' ' VAL . 29.0 m . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 74.510000000000005 111.139 179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 1' ' ' ASP . . . . . . . . . . . . . 54.7 m-20 . . . . . 0 C--O 1.23 0.076 0 CA-C-O 120.83 0.348 . . . . 72.230000000000004 110.841 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' F' F ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.42 101.94 6.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.198 -0.456 . . . . 73.430000000000007 111.111 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -67.03 -33.76 76.25 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 53.340000000000003 110.882 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 4' ' ' PHE . . . . . 0.669 ' CE1' ' HB2' ' A' ' 30' ' ' ALA . 6.0 m-85 -147.08 113.46 5.93 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.205 -0.452 . . . . 71.219999999999999 110.857 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 5' ' ' ARG . . . . . . . . . . . . . 2.5 mmt180 -137.85 108.16 6.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.137 -0.483 . . . . 61.149999999999999 110.913 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 6' ' ' HIS . . . . . . . . . . . . . 82.3 t60 -112.49 109.43 19.01 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 70.540000000000006 110.884 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 7' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -110.45 102.34 10.96 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.203 -0.453 . . . . 75.219999999999999 110.863 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 8' ' ' SER . . . . . . . . . . . . . 45.0 m -145.93 176.61 9.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.218 -0.446 . . . . 74.129999999999995 110.864 -179.762 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.29 -7.33 43.41 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.715 -0.755 . . . . 74.010000000000005 112.475 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 10' ' ' TYR . . . . . . . . . . . . . 1.2 t80 -172.29 117.58 0.36 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.808 0.337 . . . . 65.219999999999999 110.899 -179.787 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -97.14 119.57 35.88 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.143 -0.481 . . . . 74.329999999999998 110.912 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 12' ' ' VAL . . . . . . . . . . . . . 89.8 t -135.56 114.14 15.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.156 -0.475 . . . . 73.299999999999997 111.078 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 13' ' ' HIS . . . . . . . . . . . . . 40.3 m170 -126.38 132.16 51.61 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.177 -0.465 . . . . 72.25 110.817 179.956 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 14' ' ' HIS . . . . . . . . . . . . . 8.0 m-70 -139.12 121.93 16.51 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.159 -0.473 . . . . 71.340000000000003 110.882 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -130.6 135.09 47.54 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.234 -0.439 . . . . 64.200000000000003 110.886 -179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 16' ' ' LYS . . . . . . . . . . . . . 11.1 tttp -130.12 122.66 28.68 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 74.530000000000001 110.948 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 17' ' ' LEU . . . . . 0.628 ' HB2' HD13 ' G' ' 17' ' ' LEU . 3.9 mm? -117.34 104.29 10.98 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.276 -0.42 . . . . 72.120000000000005 110.936 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 18' ' ' VAL . . . . . . . . . . . . . 60.6 t -107.38 116.76 51.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.194 -0.457 . . . . 74.530000000000001 111.143 179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 19' ' ' PHE . . . . . 0.58 ' HE1' HD12 ' F' ' 17' ' ' LEU . 8.3 m-85 -101.42 107.65 19.03 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 75.450000000000003 110.873 -179.957 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 20' ' ' PHE . . . . . 0.558 ' C ' ' O ' ' F' ' 19' ' ' PHE . 7.2 p90 24.41 79.13 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.149 -0.478 . . . . 71.349999999999994 110.884 -179.923 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 21' ' ' ALA . . . . . . . . . . . . . . . -108.69 149.21 29.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 65.140000000000001 111.085 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 23' ' ' ASP . . . . . . . . . . . . . 24.4 t0 64.46 66.22 0.62 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.219 -0.446 . . . . 54.100000000000001 110.892 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 24' ' ' VAL . . . . . 0.76 HG13 HG23 ' G' ' 24' ' ' VAL . 4.6 p -110.94 144.43 18.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.195 -0.457 . . . . 74.209999999999994 111.145 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 25' ' ' GLY . . . . . . . . . . . . . . . -55.18 -50.06 60.87 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.753 -0.737 . . . . 54.140000000000001 112.499 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 26' ' ' SER . . . . . . . . . . . . . 11.4 m -160.44 128.82 4.69 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.893 0.378 . . . . 73.239999999999995 110.854 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 27' ' ' ASN . . . . . . . . . . . . . 17.7 m-20 -98.97 101.62 13.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.113 -0.494 . . . . 74.209999999999994 110.864 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.87 150.33 33.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.157 -0.474 . . . . 73.450000000000003 110.942 179.884 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 29' ' ' GLY . . . . . . . . . . . . . . . 71.59 -134.2 22.16 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.767 -0.73 . . . . 62.310000000000002 112.453 179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 30' ' ' ALA . . . . . 0.677 ' HB2' ' CE1' ' A' ' 4' ' ' PHE . . . -104.99 113.8 27.63 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.773 0.32 . . . . 75.340000000000003 111.088 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 31' ' ' ILE . . . . . 0.533 ' N ' HD13 ' F' ' 31' ' ' ILE . 0.0 OUTLIER -121.0 112.71 36.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 73.329999999999998 111.108 179.989 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' F' F ' 32' ' ' ILE . . . . . . . . . . . . . 3.6 mt -129.68 120.8 51.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.152 -0.476 . . . . 64.120000000000005 111.139 179.876 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 33' ' ' GLY . . . . . 0.4 ' HA3' ' HB3' ' F' ' 19' ' ' PHE . . . -58.39 -49.6 74.82 Favored Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.689 -0.767 . . . . 75.019999999999996 112.478 179.924 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 34' ' ' LEU . . . . . 0.852 ' O ' HD22 ' F' ' 34' ' ' LEU . 0.0 OUTLIER -160.8 147.8 15.41 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.799 0.333 . . . . 71.329999999999998 110.915 -179.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' F' F ' 35' ' ' MET . . . . . . . . . . . . . 5.0 mtp -135.26 123.31 22.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.161 -0.472 . . . . 62.43 110.915 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 36' ' ' VAL . . . . . 0.595 HG21 HG11 ' A' ' 36' ' ' VAL . 74.7 t -129.03 113.27 28.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.225 -0.443 . . . . 51.420000000000002 111.171 179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 37' ' ' GLY . . . . . . . . . . . . . . . 71.74 17.21 76.53 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.779 -0.724 . . . . 62.329999999999998 112.463 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.29 -171.2 29.55 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.74 -0.743 . . . . 72.010000000000005 112.498 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' F' F ' 39' ' ' VAL . . . . . 0.886 HG13 HG23 ' G' ' 39' ' ' VAL . 14.8 p -168.97 149.97 1.04 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-O 120.875 0.369 . . . . 71.310000000000002 111.109 -179.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' F' F ' 40' ' ' VAL . . . . . 0.441 HG12 HG22 ' G' ' 40' ' ' VAL . 34.2 m . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.142 -0.481 . . . . 55.350000000000001 111.142 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 1' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.8 0.333 . . . . 72.310000000000002 110.867 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' G' G ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.88 101.58 6.15 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.242 -0.436 . . . . 62.219999999999999 111.142 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -67.03 -33.75 76.22 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 73.010000000000005 110.884 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 4' ' ' PHE . . . . . 0.641 ' CE1' ' HB2' ' B' ' 30' ' ' ALA . 7.0 m-85 -148.48 112.42 5.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.172 -0.467 . . . . 72.450000000000003 110.911 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 5' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -133.24 108.44 8.77 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.211 -0.449 . . . . 74.340000000000003 110.894 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 6' ' ' HIS . . . . . . . . . . . . . 80.8 t60 -113.83 108.9 17.7 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.233 -0.439 . . . . 43.420000000000002 110.803 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 7' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -111.19 102.18 10.63 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.162 -0.472 . . . . 71.120000000000005 110.918 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 8' ' ' SER . . . . . 0.405 ' O ' ' HA ' ' H' ' 8' ' ' SER . 45.5 m -146.34 176.16 9.99 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.223 -0.444 . . . . 72.109999999999999 110.865 -179.771 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.59 -7.23 42.77 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.738 -0.744 . . . . 64.120000000000005 112.44 -179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 10' ' ' TYR . . . . . . . . . . . . . 1.3 t80 -172.37 116.22 0.33 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.86 0.362 . . . . 72.239999999999995 110.908 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -95.31 119.41 33.77 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.1 -0.5 . . . . 71.430000000000007 110.851 -179.962 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 12' ' ' VAL . . . . . . . . . . . . . 96.7 t -133.3 114.24 20.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.453 . . . . 62.310000000000002 111.174 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 13' ' ' HIS . . . . . . . . . . . . . 42.0 m170 -125.24 132.62 52.93 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.169 -0.469 . . . . 62.329999999999998 110.864 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 14' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -136.27 123.01 21.13 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.22 -0.446 . . . . 75.099999999999994 110.828 -180.0 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 15' ' ' GLN . . . . . . . . . . . . . 1.3 mm-40 -130.41 132.6 45.83 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.46 . . . . 64.420000000000002 110.92 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 16' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -128.77 122.98 31.77 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.206 -0.452 . . . . 70.430000000000007 110.906 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 17' ' ' LEU . . . . . 0.635 ' HB2' HD13 ' H' ' 17' ' ' LEU . 4.2 mm? -120.33 102.27 8.36 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 72.340000000000003 110.914 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 18' ' ' VAL . . . . . . . . . . . . . 60.4 t -105.9 115.8 48.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 71.209999999999994 111.158 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 19' ' ' PHE . . . . . 0.573 ' HE1' HD12 ' G' ' 17' ' ' LEU . 6.0 m-30 -101.08 99.71 10.18 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.21 -0.45 . . . . 71.150000000000006 110.894 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 20' ' ' PHE . . . . . 0.521 ' C ' ' O ' ' G' ' 19' ' ' PHE . 10.2 p90 27.45 79.34 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.48 . . . . 75.010000000000005 110.844 -179.885 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 21' ' ' ALA . . . . . . . . . . . . . . . -107.3 149.99 27.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.091 -0.504 . . . . 54.329999999999998 111.054 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 23' ' ' ASP . . . . . . . . . . . . . 24.7 t0 64.47 66.82 0.59 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 73.310000000000002 110.875 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 24' ' ' VAL . . . . . 0.822 HG13 HG23 ' H' ' 24' ' ' VAL . 3.6 p -110.3 143.2 20.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.209 -0.45 . . . . 50.240000000000002 111.141 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.48 -48.2 78.04 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.769 -0.729 . . . . 22.309999999999999 112.492 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 26' ' ' SER . . . . . . . . . . . . . 10.8 m -160.28 127.8 4.52 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.843 0.354 . . . . 72.400000000000006 110.887 -179.765 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 27' ' ' ASN . . . . . . . . . . . . . 20.0 m-20 -99.89 101.13 12.16 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.156 -0.474 . . . . 64.430000000000007 110.868 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.53 153.19 29.16 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.152 -0.476 . . . . 73.420000000000002 110.846 179.936 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.42 -132.5 22.97 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.735 -0.745 . . . . 72.310000000000002 112.489 179.942 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 30' ' ' ALA . . . . . 0.66 ' HB2' ' CE1' ' B' ' 4' ' ' PHE . . . -107.46 113.97 27.66 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 63.450000000000003 111.118 179.941 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 31' ' ' ILE . . . . . 0.556 ' N ' HD13 ' G' ' 31' ' ' ILE . 0.0 OUTLIER -118.73 112.33 37.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 72.519999999999996 111.176 179.971 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' G' G ' 32' ' ' ILE . . . . . 0.416 HG21 ' HG3' ' G' ' 35' ' ' MET . 3.5 mt -127.83 123.69 61.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 73.319999999999993 111.17 179.855 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.01 -49.73 72.45 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.734 -0.746 . . . . 62.009999999999998 112.464 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 34' ' ' LEU . . . . . 0.909 HD22 ' O ' ' G' ' 34' ' ' LEU . 0.0 OUTLIER -157.12 147.3 20.97 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.836 0.35 . . . . 64.209999999999994 110.915 -179.936 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' G' G ' 35' ' ' MET . . . . . 0.416 ' HG3' HG21 ' G' ' 32' ' ' ILE . 5.0 mtp -131.07 123.19 28.12 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.47 . . . . 43.130000000000003 110.855 179.867 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 36' ' ' VAL . . . . . 0.782 HG21 HG11 ' B' ' 36' ' ' VAL . 85.9 t -134.61 112.43 15.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 73.319999999999993 111.168 179.937 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 37' ' ' GLY . . . . . . . . . . . . . . . 67.38 18.64 69.81 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.745 -0.741 . . . . 72.340000000000003 112.47 179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.22 -171.95 32.42 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.773 -0.727 . . . . 72.409999999999997 112.508 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' G' G ' 39' ' ' VAL . . . . . 0.903 HG13 HG23 ' H' ' 39' ' ' VAL . 14.8 p -168.08 149.47 1.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-O 120.885 0.374 . . . . 72.409999999999997 111.099 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' G' G ' 40' ' ' VAL . . . . . 0.441 HG22 HG12 ' F' ' 40' ' ' VAL . 34.3 m . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.156 -0.475 . . . . 71.400000000000006 111.089 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 1' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 . . . . . 0 N--CA 1.458 -0.049 0 CA-C-O 120.808 0.337 . . . . 72.200000000000003 110.857 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' H' H ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.97 102.47 6.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 71.030000000000001 111.091 179.965 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.58 -33.83 76.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.217 -0.447 . . . . 71.439999999999998 110.897 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 4' ' ' PHE . . . . . 0.644 ' CE1' ' HB2' ' C' ' 30' ' ' ALA . 6.9 m-85 -148.77 112.28 5.02 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.175 -0.466 . . . . 75.030000000000001 110.904 -179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 5' ' ' ARG . . . . . . . . . . . . . 2.6 mmt180 -131.64 108.11 9.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.144 -0.48 . . . . 64.430000000000007 110.838 -179.839 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 6' ' ' HIS . . . . . . . . . . . . . 80.3 t60 -115.08 108.81 17.15 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.217 -0.447 . . . . 62.329999999999998 110.854 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 7' ' ' ASP . . . . . . . . . . . . . 56.4 t0 -111.2 102.1 10.55 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 75.010000000000005 110.874 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 8' ' ' SER . . . . . 0.406 ' O ' ' HA ' ' I' ' 8' ' ' SER . 45.7 m -145.86 175.65 10.26 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.184 -0.462 . . . . 72.409999999999997 110.86 -179.737 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.73 -7.41 41.98 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.775 -0.726 . . . . 41.340000000000003 112.485 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 10' ' ' TYR . . . . . . . . . . . . . 1.4 t80 -172.34 115.57 0.33 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 120.839 0.352 . . . . 73.109999999999999 110.947 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.86 119.87 33.37 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.105 -0.498 . . . . 75.430000000000007 110.897 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 12' ' ' VAL . . . . . . . . . . . . . 98.9 t -132.37 114.08 22.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 72.329999999999998 111.114 179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 13' ' ' HIS . . . . . . . . . . . . . 43.0 m170 -125.22 132.3 53.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.127 -0.488 . . . . 74.319999999999993 110.889 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 14' ' ' HIS . . . . . . . . . . . . . 8.1 m-70 -135.21 123.31 22.85 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.191 -0.458 . . . . 61.210000000000001 110.843 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -130.4 132.38 45.73 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 52.539999999999999 110.911 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 16' ' ' LYS . . . . . . . . . . . . . 11.0 tttp -127.49 122.3 33.05 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.194 -0.457 . . . . 73.25 110.901 179.971 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 17' ' ' LEU . . . . . 0.635 HD13 ' HB2' ' G' ' 17' ' ' LEU . 4.2 mm? -122.5 100.98 7.22 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.237 -0.438 . . . . 70.120000000000005 110.905 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 18' ' ' VAL . . . . . . . . . . . . . 59.5 t -106.07 116.52 50.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 70.140000000000001 111.139 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 19' ' ' PHE . . . . . 0.529 ' HE1' HD12 ' H' ' 17' ' ' LEU . 4.5 m-30 -100.91 98.55 9.02 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 73.450000000000003 110.874 -179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 20' ' ' PHE . . . . . 0.521 ' C ' ' O ' ' H' ' 19' ' ' PHE . 10.4 p90 27.29 78.9 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.151 -0.477 . . . . 53.130000000000003 110.868 -179.928 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.77 150.03 26.73 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.118 -0.492 . . . . 60.539999999999999 111.047 179.937 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 23' ' ' ASP . . . . . . . . . . . . . 24.6 t0 64.01 67.21 0.61 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 73.409999999999997 110.884 179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 24' ' ' VAL . . . . . 0.822 HG23 HG13 ' G' ' 24' ' ' VAL . 3.3 p -110.19 142.5 22.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.178 -0.464 . . . . 75.120000000000005 111.113 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 25' ' ' GLY . . . . . . . . . . . . . . . -56.62 -47.49 84.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.732 . . . . 63.450000000000003 112.466 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 26' ' ' SER . . . . . 0.401 ' H ' HG22 ' H' ' 24' ' ' VAL . 10.9 m -160.23 126.94 4.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.935 0.398 . . . . 63.43 110.818 -179.731 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 27' ' ' ASN . . . . . 0.408 ' OD1' HG11 ' H' ' 24' ' ' VAL . 21.7 m-20 -99.77 101.14 12.21 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.098 -0.501 . . . . 73.109999999999999 110.888 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.51 153.34 28.89 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 74.219999999999999 110.913 179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.62 -133.19 23.11 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.742 -0.742 . . . . 51.100000000000001 112.509 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 30' ' ' ALA . . . . . 0.637 ' HB2' ' CE1' ' C' ' 4' ' ' PHE . . . -106.42 113.84 27.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.768 0.318 . . . . 74.040000000000006 111.041 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 31' ' ' ILE . . . . . 0.554 ' N ' HD13 ' H' ' 31' ' ' ILE . 0.0 OUTLIER -117.71 111.73 35.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 72.209999999999994 111.147 179.952 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' H' H ' 32' ' ' ILE . . . . . 0.462 HG21 ' HG3' ' H' ' 35' ' ' MET . 3.5 mt -127.1 123.21 61.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.186 -0.461 . . . . 70.409999999999997 111.123 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.19 -49.97 69.65 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.759 -0.734 . . . . 61.439999999999998 112.515 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 34' ' ' LEU . . . . . 0.922 HD22 ' O ' ' H' ' 34' ' ' LEU . 0.0 OUTLIER -155.54 145.71 21.69 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.755 0.312 . . . . 72.439999999999998 110.95 -179.924 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' H' H ' 35' ' ' MET . . . . . 0.462 ' HG3' HG21 ' H' ' 32' ' ' ILE . 5.0 mtp -128.98 122.91 31.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.252 -0.431 . . . . 61.530000000000001 110.921 179.805 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 36' ' ' VAL . . . . . 0.838 HG11 HG21 ' C' ' 36' ' ' VAL . 99.5 t -136.69 112.34 11.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.208 -0.451 . . . . 70.049999999999997 111.163 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 37' ' ' GLY . . . . . . . . . . . . . . . 65.66 19.59 67.26 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.717 -0.754 . . . . 73.010000000000005 112.493 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 38' ' ' GLY . . . . . . . . . . . . . . . -97.41 -171.58 33.46 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.769 -0.729 . . . . 64.329999999999998 112.448 -179.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' H' H ' 39' ' ' VAL . . . . . 0.908 HG13 HG23 ' I' ' 39' ' ' VAL . 14.7 p -168.07 149.71 1.26 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.872 0.368 . . . . 71.329999999999998 111.123 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' H' H ' 40' ' ' VAL . . . . . 0.471 ' HA ' HG22 ' I' ' 40' ' ' VAL . 36.0 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.236 -0.438 . . . . 62.210000000000001 111.135 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 1' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 . . . . . 0 C--O 1.231 0.09 0 CA-C-O 120.838 0.352 . . . . 75.329999999999998 110.846 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' I' I ' 2' ' ' ALA . . . . . . . . . . . . . . . -128.81 102.52 6.59 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.169 -0.469 . . . . 54.25 111.108 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -66.78 -33.87 76.58 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.199 -0.455 . . . . 60.340000000000003 110.919 -179.935 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 4' ' ' PHE . . . . . 0.664 ' CE1' ' HB2' ' D' ' 30' ' ' ALA . 6.8 m-85 -148.55 111.85 4.96 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 73.109999999999999 110.881 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 5' ' ' ARG . . . . . . . . . . . . . 2.0 mmt180 -130.39 108.09 9.73 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.141 -0.481 . . . . 75.530000000000001 110.88 -179.902 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 6' ' ' HIS . . . . . . . . . . . . . 80.1 t60 -117.28 108.66 15.9 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.165 -0.47 . . . . 73.209999999999994 110.842 -179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 7' ' ' ASP . . . . . . . . . . . . . 56.2 t0 -110.39 102.26 10.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 73.239999999999995 110.859 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 8' ' ' SER . . . . . 0.406 ' HA ' ' O ' ' H' ' 8' ' ' SER . 45.0 m -146.31 174.36 11.43 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.183 -0.462 . . . . 43.240000000000002 110.844 -179.743 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 9' ' ' GLY . . . . . . . . . . . . . . . -104.47 -6.46 41.35 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.775 -0.726 . . . . 53.25 112.496 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 10' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -172.28 116.57 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.838 0.351 . . . . 73.329999999999998 110.892 -179.813 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -93.89 121.37 35.29 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.143 -0.48 . . . . 74.340000000000003 110.854 -179.981 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 12' ' ' VAL . . . . . . . . . . . . . 98.1 t -131.65 113.91 23.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.112 -0.495 . . . . 73.299999999999997 111.145 179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 13' ' ' HIS . . . . . . . . . . . . . 46.9 m170 -126.3 132.42 51.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 74.230000000000004 110.858 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 14' ' ' HIS . . . . . . . . . . . . . 8.3 m-70 -135.08 123.81 23.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.208 -0.451 . . . . 64.329999999999998 110.845 -179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -130.93 131.64 44.58 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.2 -0.454 . . . . 73.310000000000002 110.935 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 16' ' ' LYS . . . . . 0.484 ' O ' HD22 ' I' ' 17' ' ' LEU . 11.1 tttp -126.26 121.07 31.62 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 70.109999999999999 110.884 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 17' ' ' LEU . . . . . 0.544 HD13 ' HB2' ' H' ' 17' ' ' LEU . 4.1 mm? -124.91 100.3 6.54 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.21 -0.45 . . . . 71.030000000000001 110.924 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 18' ' ' VAL . . . . . . . . . . . . . 59.5 t -106.23 118.06 53.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 74.209999999999994 111.098 179.891 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 19' ' ' PHE . . . . . 0.525 ' O ' ' C ' ' I' ' 20' ' ' PHE . 3.9 m-30 -100.54 97.48 8.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 74.439999999999998 110.883 -179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 20' ' ' PHE . . . . . 0.525 ' C ' ' O ' ' I' ' 19' ' ' PHE . 9.9 p90 27.1 77.85 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.156 -0.474 . . . . 72.340000000000003 110.844 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 21' ' ' ALA . . . . . . . . . . . . . . . -106.13 149.6 26.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.136 -0.484 . . . . 63.030000000000001 111.102 179.931 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 23' ' ' ASP . . . . . . . . . . . . . 25.4 t0 64.08 67.61 0.59 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 74.239999999999995 110.845 179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 24' ' ' VAL . . . . . 0.797 HG13 HG23 ' J' ' 24' ' ' VAL . 3.3 p -110.54 142.27 23.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.213 -0.449 . . . . 74.420000000000002 111.094 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.2 -46.96 91.11 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.769 -0.729 . . . . 62.329999999999998 112.521 179.943 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 26' ' ' SER . . . . . 0.409 ' H ' HG22 ' I' ' 24' ' ' VAL . 10.2 m -160.45 125.96 3.95 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.859 0.361 . . . . 70.109999999999999 110.876 -179.766 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 27' ' ' ASN . . . . . 0.402 ' CG ' HG11 ' I' ' 24' ' ' VAL . 24.7 m-20 -100.11 102.08 13.31 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.168 -0.469 . . . . 62.219999999999999 110.854 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.23 153.72 27.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 72.420000000000002 110.943 179.868 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 29' ' ' GLY . . . . . . . . . . . . . . . 70.76 -133.92 23.42 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.698 -0.763 . . . . 73.310000000000002 112.509 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 30' ' ' ALA . . . . . 0.658 ' HB2' ' CE1' ' D' ' 4' ' ' PHE . . . -105.62 113.51 27.13 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.826 0.346 . . . . 60.299999999999997 111.071 179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 31' ' ' ILE . . . . . 0.551 ' N ' HD13 ' I' ' 31' ' ' ILE . 0.0 OUTLIER -116.87 112.34 38.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 71.400000000000006 111.107 179.996 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' I' I ' 32' ' ' ILE . . . . . 0.461 HG21 ' HG3' ' I' ' 35' ' ' MET . 3.4 mt -127.14 124.23 63.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.148 -0.478 . . . . 75.040000000000006 111.16 179.847 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.84 -51.96 51.81 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.699 -0.762 . . . . 44.340000000000003 112.492 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 34' ' ' LEU . . . . . 0.885 HD22 ' O ' ' I' ' 34' ' ' LEU . 0.0 OUTLIER -153.18 144.84 23.43 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.86 0.362 . . . . 70.349999999999994 110.925 -179.906 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' I' I ' 35' ' ' MET . . . . . 0.461 ' HG3' HG21 ' I' ' 32' ' ' ILE . 5.0 mtp -128.85 122.38 30.28 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.212 -0.449 . . . . 70.010000000000005 110.887 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 36' ' ' VAL . . . . . 0.867 HG21 HG11 ' D' ' 36' ' ' VAL . 96.6 t -137.01 111.37 9.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 61.299999999999997 111.147 179.939 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 37' ' ' GLY . . . . . . . . . . . . . . . 64.85 20.38 66.43 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.723 -0.751 . . . . 42.240000000000002 112.491 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.99 -171.0 33.91 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.751 -0.737 . . . . 62.119999999999997 112.465 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' I' I ' 39' ' ' VAL . . . . . 0.908 HG23 HG13 ' H' ' 39' ' ' VAL . 14.2 p -167.27 150.62 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-O 120.848 0.356 . . . . 42.009999999999998 111.142 -179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' I' I ' 40' ' ' VAL . . . . . 0.471 HG22 ' HA ' ' H' ' 40' ' ' VAL . 35.9 m . . . . . 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.46 . . . . 73.420000000000002 111.104 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' J' J ' 1' ' ' ASP . . . . . . . . . . . . . 54.1 m-20 . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.83 0.348 . . . . 64.129999999999995 110.883 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' J' J ' 2' ' ' ALA . . . . . . . . . . . . . . . -129.03 102.23 6.41 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 73.540000000000006 111.105 179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' J' J ' 3' ' ' GLU . . . . . . . . . . . . . 1.6 mp0 -65.38 -34.02 77.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.209 -0.45 . . . . 73.530000000000001 110.858 -179.94 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' J' J ' 4' ' ' PHE . . . . . 0.638 ' CZ ' ' HB2' ' E' ' 30' ' ' ALA . 6.4 m-85 -148.52 113.73 5.53 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.158 -0.474 . . . . 64.5 110.877 -179.896 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' J' J ' 5' ' ' ARG . . . . . . . . . . . . . 1.0 OUTLIER -130.35 107.08 8.99 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.162 -0.472 . . . . 74.319999999999993 110.894 -179.948 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' J' J ' 6' ' ' HIS . . . . . . . . . . . . . 81.0 t60 -118.55 108.68 15.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 70.120000000000005 110.886 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' J' J ' 7' ' ' ASP . . . . . . . . . . . . . 56.3 t0 -108.55 101.82 10.95 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.228 -0.442 . . . . 72.209999999999994 110.872 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' J' J ' 8' ' ' SER . . . . . . . . . . . . . 45.4 m -148.14 169.63 19.6 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.221 -0.445 . . . . 64.099999999999994 110.876 -179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' J' J ' 9' ' ' GLY . . . . . . . . . . . . . . . -103.26 -5.98 45.58 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.704 -0.76 . . . . 51.299999999999997 112.44 -179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' J' J ' 10' ' ' TYR . . . . . . . . . . . . . 1.6 t80 -171.88 115.21 0.36 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.864 0.364 . . . . 65.420000000000002 110.959 -179.85 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' J' J ' 11' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -94.33 123.13 37.54 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 61.200000000000003 110.874 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' J' J ' 12' ' ' VAL . . . . . . . . . . . . . 91.3 t -130.07 115.03 31.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.149 -0.478 . . . . 71.140000000000001 111.106 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' J' J ' 13' ' ' HIS . . . . . . . . . . . . . 46.1 m170 -125.79 133.42 52.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.185 -0.461 . . . . 73.329999999999998 110.867 179.928 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' J' J ' 14' ' ' HIS . . . . . . . . . . . . . 8.5 m-70 -134.29 124.25 25.56 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 74.109999999999999 110.86 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' J' J ' 15' ' ' GLN . . . . . . . . . . . . . 1.2 mm-40 -132.54 132.66 42.84 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.184 -0.462 . . . . 73.200000000000003 110.925 -179.946 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' J' J ' 16' ' ' LYS . . . . . 0.555 ' O ' HD22 ' J' ' 17' ' ' LEU . 10.7 tttp -126.76 121.1 31.03 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.174 -0.466 . . . . 72.120000000000005 110.942 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' J' J ' 17' ' ' LEU . . . . . 0.555 HD22 ' O ' ' J' ' 16' ' ' LYS . 4.0 mm? -127.72 100.25 5.88 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.192 -0.458 . . . . 74.450000000000003 110.903 179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' J' J ' 18' ' ' VAL . . . . . . . . . . . . . 59.5 t -104.9 119.62 54.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.196 -0.456 . . . . 70.129999999999995 111.133 179.856 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' J' J ' 19' ' ' PHE . . . . . 0.511 ' HE1' HD12 ' J' ' 17' ' ' LEU . 3.5 m-30 -102.54 96.4 6.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 75.549999999999997 110.864 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' J' J ' 20' ' ' PHE . . . . . 0.509 ' C ' ' O ' ' J' ' 19' ' ' PHE . 12.2 p90 28.98 74.54 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.124 -0.489 . . . . 61.130000000000003 110.899 -179.942 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' J' J ' 21' ' ' ALA . . . . . . . . . . . . . . . -103.52 146.75 28.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.141 -0.481 . . . . 51.210000000000001 111.101 179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' J' J ' 23' ' ' ASP . . . . . . . . . . . . . 24.4 t0 62.72 68.95 0.62 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 72.129999999999995 110.886 179.976 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' J' J ' 24' ' ' VAL . . . . . 0.797 HG23 HG13 ' I' ' 24' ' ' VAL . 3.9 p -110.32 141.2 26.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.468 . . . . 61.210000000000001 111.1 -179.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' J' J ' 25' ' ' GLY . . . . . . . . . . . . . . . -57.91 -47.07 91.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.717 -0.754 . . . . 52.299999999999997 112.484 -179.999 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' J' J ' 26' ' ' SER . . . . . . . . . . . . . 11.0 m -160.39 125.14 3.78 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.861 0.362 . . . . 52.409999999999997 110.847 -179.749 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' J' J ' 27' ' ' ASN . . . . . 0.402 ' CG ' HG11 ' J' ' 24' ' ' VAL . 24.1 m-20 -100.29 102.49 13.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.173 -0.467 . . . . 72.409999999999997 110.937 179.986 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' J' J ' 28' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -113.58 152.88 29.71 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.19 -0.459 . . . . 65.230000000000004 110.871 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' J' J ' 29' ' ' GLY . . . . . 0.422 ' HA2' ' HA ' ' E' ' 3' ' ' GLU . . . 71.78 -135.54 23.35 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 71.439999999999998 112.491 179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' J' J ' 30' ' ' ALA . . . . . 0.61 ' HB2' ' CE1' ' E' ' 4' ' ' PHE . . . -102.9 113.44 26.88 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.787 0.327 . . . . 65.430000000000007 111.098 179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' J' J ' 31' ' ' ILE . . . . . 0.481 ' N ' HD13 ' J' ' 31' ' ' ILE . 0.0 OUTLIER -115.32 113.94 44.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 74.209999999999994 111.107 -179.98 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' J' J ' 32' ' ' ILE . . . . . 0.547 HG21 ' HG3' ' J' ' 35' ' ' MET . 3.4 mt -128.67 121.0 53.87 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.18 -0.464 . . . . 72.349999999999994 111.108 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' J' J ' 33' ' ' GLY . . . . . . . . . . . . . . . -62.03 -48.76 81.2 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.776 -0.726 . . . . 61.310000000000002 112.44 179.951 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' J' J ' 34' ' ' LEU . . . . . 0.847 ' N ' HD13 ' J' ' 34' ' ' LEU . 0.0 OUTLIER -152.92 147.8 26.39 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.828 0.347 . . . . 72.310000000000002 110.899 -179.9 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' J' J ' 35' ' ' MET . . . . . 0.547 ' HG3' HG21 ' J' ' 32' ' ' ILE . 5.0 mtp -133.6 120.27 20.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.153 -0.476 . . . . 51.439999999999998 110.873 179.875 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' J' J ' 36' ' ' VAL . . . . . 0.724 HG21 HG11 ' E' ' 36' ' ' VAL . 94.8 t -138.08 111.63 7.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.232 -0.44 . . . . 74.230000000000004 111.117 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' J' J ' 37' ' ' GLY . . . . . . . . . . . . . . . 62.81 20.84 62.52 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.746 -0.74 . . . . 70.310000000000002 112.464 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' J' J ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.93 -171.31 35.56 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.723 -0.751 . . . . 72.25 112.509 -179.932 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' J' J ' 39' ' ' VAL . . . . . 0.83 HG23 HG13 ' I' ' 39' ' ' VAL . 14.6 p -167.1 149.66 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.897 0.38 . . . . 73.439999999999998 111.094 -179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' J' J ' 40' ' ' VAL . . . . . 0.459 HG22 ' HA ' ' I' ' 40' ' ' VAL . 31.2 m . . . . . 0 C--N 1.33 -0.275 0 CA-C-N 116.159 -0.473 . . . . 73.120000000000005 111.145 179.899 . . . . . . . . 1 1 . 1 stop_ save_